smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@H]1CC[C@@H](OCC[N+](C)(C)C)C1 ZINC001224775084 964938455 /nfs/dbraw/zinc/93/84/55/964938455.db2.gz IIOGYKJEJSCXJQ-NWDGAFQWSA-N 1 0 244.355 1.441 20 5 BDBDRO C[Si](C)(C)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977338 969294799 /nfs/dbraw/zinc/29/47/99/969294799.db2.gz AOTXQBPGXIMHOR-NXEZZACHSA-N 1 0 230.384 1.899 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCN2CCCC2)C1 ZINC001168959674 969309863 /nfs/dbraw/zinc/30/98/63/969309863.db2.gz XVIJBGHUSXBGFO-VXGBXAGGSA-N 1 0 241.335 1.117 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)C1 ZINC001168963653 969315427 /nfs/dbraw/zinc/31/54/27/969315427.db2.gz PKAZJXWOWLLPJV-WYUUTHIRSA-N 1 0 242.319 1.182 20 5 BDBDRO CC(C)[N@H+](CCC[NH3+])[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965684 969317545 /nfs/dbraw/zinc/31/75/45/969317545.db2.gz BYIOXJAFKRBKFS-VXGBXAGGSA-N 1 0 243.351 1.491 20 5 BDBDRO CCC[C@@H](CCO)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168996505 969327329 /nfs/dbraw/zinc/32/73/29/969327329.db2.gz VHRNXRSXWVWHGU-GRYCIOLGSA-N 1 0 244.335 1.573 20 5 BDBDRO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)O1 ZINC001169009671 969333404 /nfs/dbraw/zinc/33/34/04/969333404.db2.gz XCIULFPSKWZYKC-WHOHXGKFSA-N 1 0 242.319 1.541 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC3(CCC3)C2)C1 ZINC001169011609 969338924 /nfs/dbraw/zinc/33/89/24/969338924.db2.gz LKOYZMRISSTSES-QWRGUYRKSA-N 1 0 224.304 1.918 20 5 BDBDRO CCOC1C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169013062 969340233 /nfs/dbraw/zinc/34/02/33/969340233.db2.gz TVWXHKOCWPRHPS-ZJUUUORDSA-N 1 0 228.292 1.153 20 5 BDBDRO CC(C)[N@H+](CCCO)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037156 969356750 /nfs/dbraw/zinc/35/67/50/969356750.db2.gz QYOMLZVSUSOAKY-RYUDHWBXSA-N 1 0 244.335 1.525 20 5 BDBDRO CO[C@H](C)C1C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169042161 969360641 /nfs/dbraw/zinc/36/06/41/969360641.db2.gz DHDFALKBYYBBKO-FOGDFJRCSA-N 1 0 242.319 1.399 20 5 BDBDRO O=C1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169021007 969362717 /nfs/dbraw/zinc/36/27/17/969362717.db2.gz NECWRFHFADIJHN-MNOVXSKESA-N 1 0 240.303 1.487 20 5 BDBDRO COc1cc(O[C@H](C)C[N+](C)(C)C)cnc1F ZINC001228520599 976275317 /nfs/dbraw/zinc/27/53/17/976275317.db2.gz DBGUUEOQFGXOIY-SECBINFHSA-N 1 0 243.302 1.703 20 5 BDBDRO CC(C)OCCO[C@H](C)C[N+](C)(C)C ZINC001222675001 972632041 /nfs/dbraw/zinc/63/20/41/972632041.db2.gz NSTPREUWOUGYRT-LLVKDONJSA-N 1 0 204.334 1.523 20 5 BDBDRO COc1cccnc1CO[C@H](C)C[N+](C)(C)C ZINC001223356612 973013544 /nfs/dbraw/zinc/01/35/44/973013544.db2.gz XKDJQOGANWEJBZ-LLVKDONJSA-N 1 0 239.339 1.702 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OC[C@@H]1CCOC1 ZINC001224476418 973686701 /nfs/dbraw/zinc/68/67/01/973686701.db2.gz MBGCVRJFVRHUID-GHMZBOCLSA-N 1 0 202.318 1.134 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCC[C@H]1CCOC1 ZINC001224702858 973872309 /nfs/dbraw/zinc/87/23/09/973872309.db2.gz IBTBGTAEECUCIY-NWDGAFQWSA-N 1 0 216.345 1.524 20 5 BDBDRO C[C@H]1OCC[C@H]1COCC[N+](C)(C)C ZINC001224771528 973938162 /nfs/dbraw/zinc/93/81/62/973938162.db2.gz NQOFHGPXZYQVQX-MNOVXSKESA-N 1 0 202.318 1.134 20 5 BDBDRO C[N+](C)(C)CCOC[C@H]1CCCCO1 ZINC001224776754 973942265 /nfs/dbraw/zinc/94/22/65/973942265.db2.gz ZLTJZYLVQCVUMM-LLVKDONJSA-N 1 0 202.318 1.278 20 5 BDBDRO CCOCCOCCO[C@@H](C)C[N+](C)(C)C ZINC001225034193 974157975 /nfs/dbraw/zinc/15/79/75/974157975.db2.gz FWKIVIJTTZMXCI-LBPRGKRZSA-N 1 0 234.360 1.151 20 5 BDBDRO O=[N+]([O-])c1ccc2nc(O[C@H]3CC[NH2+]C3)oc2c1 ZINC001218179765 971612268 /nfs/dbraw/zinc/61/22/68/971612268.db2.gz KQIPMCNNODWWIZ-QMMMGPOBSA-N 1 0 249.226 1.477 20 5 BDBDRO Cc1ccnc([N+](=O)[O-])c1O[C@@H]1CCC[NH2+]C1 ZINC001218287427 971685280 /nfs/dbraw/zinc/68/52/80/971685280.db2.gz ZCKHYDWOUSAMTR-SECBINFHSA-N 1 0 237.259 1.429 20 5 BDBDRO Cc1ccnc([N+](=O)[O-])c1O[C@H]1CCC[NH2+]C1 ZINC001218287428 971686166 /nfs/dbraw/zinc/68/61/66/971686166.db2.gz ZCKHYDWOUSAMTR-VIFPVBQESA-N 1 0 237.259 1.429 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncccc1N ZINC001218355136 971727649 /nfs/dbraw/zinc/72/76/49/971727649.db2.gz FOBJHEXNZIRKNA-VIFPVBQESA-N 1 0 210.301 1.137 20 5 BDBDRO Cc1ccncc1O[C@@H](C)C[N+](C)(C)C ZINC001225416456 974475460 /nfs/dbraw/zinc/47/54/60/974475460.db2.gz OIUCNIXABCVLOU-NSHDSACASA-N 1 0 209.313 1.864 20 5 BDBDRO O=[N+]([O-])/C=C/c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC001218183406 959884636 /nfs/dbraw/zinc/88/46/36/959884636.db2.gz QVTAMWCQYZGPKK-WMADIVHISA-N 1 0 234.255 1.675 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCC(=O)c1ccccc1 ZINC001204723656 961872154 /nfs/dbraw/zinc/87/21/54/961872154.db2.gz WVVXSWRXYTZBBB-GFCCVEGCSA-N 1 0 236.335 1.981 20 5 BDBDRO O=[N+]([O-])c1ncccc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711664293 962747438 /nfs/dbraw/zinc/74/74/38/962747438.db2.gz MWMLBLSGJWOLGK-CMPLNLGQSA-N 1 0 248.286 1.686 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc1 ZINC000711660796 962747686 /nfs/dbraw/zinc/74/76/86/962747686.db2.gz COHRNOUADGCZTB-CMPLNLGQSA-N 1 0 248.286 1.686 20 5 BDBDRO C[NH+](C)CCNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001161671278 963117975 /nfs/dbraw/zinc/11/79/75/963117975.db2.gz OKQPPRNESWCRIM-UHFFFAOYSA-N 1 0 249.274 1.445 20 5 BDBDRO Cc1ccc(CO[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000714067583 963577994 /nfs/dbraw/zinc/57/79/94/963577994.db2.gz YRUOMLHJOAFLEB-NSHDSACASA-N 1 0 236.271 1.782 20 5 BDBDRO CN(c1ncc(F)cc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC000714239667 963634242 /nfs/dbraw/zinc/63/42/42/963634242.db2.gz OXIGZKXZVGYVLK-UHFFFAOYSA-N 1 0 242.254 1.302 20 5 BDBDRO Cc1ccnc(-n2ccc([C@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001158347924 963853113 /nfs/dbraw/zinc/85/31/13/963853113.db2.gz ACJSJLURIIDHHA-QMMMGPOBSA-N 1 0 247.258 1.504 20 5 BDBDRO O=[N+]([O-])c1ncccc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168226256 964007098 /nfs/dbraw/zinc/00/70/98/964007098.db2.gz AFPMYDLIAPNPIO-APPZFPTMSA-N 1 0 240.238 1.102 20 5 BDBDRO O=[N+]([O-])c1cccnc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168227704 964011496 /nfs/dbraw/zinc/01/14/96/964011496.db2.gz WINJQRVBMUPIMH-SFYZADRCSA-N 1 0 240.238 1.102 20 5 BDBDRO CC(C)(C)[C@H](C[NH3+])Nc1cccc([N+](=O)[O-])n1 ZINC001160912311 964437349 /nfs/dbraw/zinc/43/73/49/964437349.db2.gz JNKSJNFHJOFXCS-QMMMGPOBSA-N 1 0 238.291 1.775 20 5 BDBDRO O=[N+]([O-])c1cc2c(cc1NCC1COC1)C[NH2+]C2 ZINC001161949187 964831849 /nfs/dbraw/zinc/83/18/49/964831849.db2.gz KMZPMTQBDXXNMM-UHFFFAOYSA-N 1 0 249.270 1.256 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCCn1cccc1 ZINC001224888853 965048904 /nfs/dbraw/zinc/04/89/04/965048904.db2.gz RECYDKGLYCJWBD-LBPRGKRZSA-N 1 0 211.329 1.599 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCCCC1OCCO1 ZINC001224935055 965116403 /nfs/dbraw/zinc/11/64/03/965116403.db2.gz HXWVRPRXKLCLHQ-NSHDSACASA-N 1 0 232.344 1.251 20 5 BDBDRO Cc1cc([N+](=O)[O-])c(N(C)CC[NH3+])nc1Cl ZINC001163686710 965502483 /nfs/dbraw/zinc/50/24/83/965502483.db2.gz GSBVGUOBSFMFHS-UHFFFAOYSA-N 1 0 244.682 1.347 20 5 BDBDRO CN(CC[NH3+])c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001163687449 965505356 /nfs/dbraw/zinc/50/53/56/965505356.db2.gz IZNBAKJUSZKGMW-UHFFFAOYSA-N 1 0 230.655 1.038 20 5 BDBDRO CN(CC[NH3+])c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001163686888 965506926 /nfs/dbraw/zinc/50/69/26/965506926.db2.gz MASNOOMARIJXHW-UHFFFAOYSA-N 1 0 246.270 1.538 20 5 BDBDRO C[NH2+]C1CN(c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001163702915 965519553 /nfs/dbraw/zinc/51/95/53/965519553.db2.gz RTVWSUMGBVVCEQ-UHFFFAOYSA-N 1 0 242.666 1.051 20 5 BDBDRO C[NH+](C)C1(C)CN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001165116916 965962942 /nfs/dbraw/zinc/96/29/42/965962942.db2.gz MVNDOSAYTRWWMF-UHFFFAOYSA-N 1 0 236.275 1.130 20 5 BDBDRO Cc1ccnc(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000168967939 966485873 /nfs/dbraw/zinc/48/58/73/966485873.db2.gz BIEAMCPGLJORSZ-SECBINFHSA-N 1 0 238.291 1.660 20 5 BDBDRO CCC1(Nc2cc([N+](=O)[O-])c(C)cn2)C[NH2+]C1 ZINC001168582870 966928047 /nfs/dbraw/zinc/92/80/47/966928047.db2.gz ASNVJLTYNRJODV-UHFFFAOYSA-N 1 0 236.275 1.462 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OC[C@@H]1CCCCO1 ZINC001205923849 967885595 /nfs/dbraw/zinc/88/55/95/967885595.db2.gz FYSQTAKFSDVSGW-RYUDHWBXSA-N 1 0 216.345 1.667 20 5 BDBDRO Nc1c[nH+]cn1-c1ccccc1[N+](=O)[O-] ZINC001206150186 968087302 /nfs/dbraw/zinc/08/73/02/968087302.db2.gz HIYMJDXUEHORMP-UHFFFAOYSA-N 1 0 204.189 1.363 20 5 BDBDRO C[C@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1F ZINC001155916991 969122549 /nfs/dbraw/zinc/12/25/49/969122549.db2.gz RYZSIFIWCQTDBZ-SSDOTTSWSA-N 1 0 242.254 1.491 20 5 BDBDRO O=C1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168978129 969297888 /nfs/dbraw/zinc/29/78/88/969297888.db2.gz OOUSUDRHKMJTNI-MWLCHTKSSA-N 1 0 240.303 1.533 20 5 BDBDRO [NH3+]CCc1cnn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168978181 969298313 /nfs/dbraw/zinc/29/83/13/969298313.db2.gz PKJYQQVGYQIUAU-MWLCHTKSSA-N 1 0 238.291 1.002 20 5 BDBDRO CC(C)(O)CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984779 969300636 /nfs/dbraw/zinc/30/06/36/969300636.db2.gz QNZWKZNXOQSBTQ-MNOVXSKESA-N 1 0 244.335 1.573 20 5 BDBDRO CC(C)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956304 969303369 /nfs/dbraw/zinc/30/33/69/969303369.db2.gz DKSGFBGHWQWIAQ-VHSXEESVSA-N 1 0 200.282 1.677 20 5 BDBDRO CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956385 969304992 /nfs/dbraw/zinc/30/49/92/969304992.db2.gz DZXGEAYKJNOCBD-GMTAPVOTSA-N 1 0 230.308 1.038 20 5 BDBDRO CC(C)OCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957482 969307130 /nfs/dbraw/zinc/30/71/30/969307130.db2.gz IFQQEWWFEKEXCE-WDEREUQCSA-N 1 0 230.308 1.446 20 5 BDBDRO Cc1ccnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168959441 969310609 /nfs/dbraw/zinc/31/06/09/969310609.db2.gz WGFUSKQHFUPXMR-NWDGAFQWSA-N 1 0 249.314 1.925 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)C1 ZINC001168958929 969310862 /nfs/dbraw/zinc/31/08/62/969310862.db2.gz RISMJDCKGDBEAA-WYUUTHIRSA-N 1 0 242.319 1.325 20 5 BDBDRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168961713 969311894 /nfs/dbraw/zinc/31/18/94/969311894.db2.gz JXMHDHTUOFMHTA-CHWFTXMASA-N 1 0 212.293 1.677 20 5 BDBDRO CSCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967661 969320814 /nfs/dbraw/zinc/32/08/14/969320814.db2.gz SGMCJSIMKFLYER-NXEZZACHSA-N 1 0 232.349 1.775 20 5 BDBDRO Cc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)on1 ZINC001168967944 969322234 /nfs/dbraw/zinc/32/22/34/969322234.db2.gz VASHEEGWYUEEFG-UWVGGRQHSA-N 1 0 239.275 1.518 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccoc2)C1 ZINC001168973339 969323363 /nfs/dbraw/zinc/32/33/63/969323363.db2.gz OGMDICIJCPQAOC-ONGXEEELSA-N 1 0 224.260 1.815 20 5 BDBDRO CC(C)(CCO)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975259 969323402 /nfs/dbraw/zinc/32/34/02/969323402.db2.gz VMWJCHBNBBETFQ-NXEZZACHSA-N 1 0 230.308 1.182 20 5 BDBDRO CC(C)(O)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168972458 969323814 /nfs/dbraw/zinc/32/38/14/969323814.db2.gz MZZQRDFSZBRKMB-VHSXEESVSA-N 1 0 230.308 1.182 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccoc2)C1 ZINC001168973337 969323843 /nfs/dbraw/zinc/32/38/43/969323843.db2.gz OGMDICIJCPQAOC-KOLCDFICSA-N 1 0 224.260 1.815 20 5 BDBDRO CO[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168971446 969323941 /nfs/dbraw/zinc/32/39/41/969323941.db2.gz KZBLYGIYZQSAKU-ZRUFSTJUSA-N 1 0 228.292 1.199 20 5 BDBDRO CC(C)(CCO)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975260 969324323 /nfs/dbraw/zinc/32/43/23/969324323.db2.gz VMWJCHBNBBETFQ-UWVGGRQHSA-N 1 0 230.308 1.182 20 5 BDBDRO COCC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168971821 969324357 /nfs/dbraw/zinc/32/43/57/969324357.db2.gz LKPVXOWJYRFPLC-GHMZBOCLSA-N 1 0 242.319 1.591 20 5 BDBDRO CC(C)(O)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168972461 969325069 /nfs/dbraw/zinc/32/50/69/969325069.db2.gz MZZQRDFSZBRKMB-ZJUUUORDSA-N 1 0 230.308 1.182 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(F)CC2)C1 ZINC001169006645 969331333 /nfs/dbraw/zinc/33/13/33/969331333.db2.gz IUGKNSCMTRPSBL-KOLCDFICSA-N 1 0 230.283 1.866 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2Cc3cncnc3C2)C1 ZINC001169008693 969335019 /nfs/dbraw/zinc/33/50/19/969335019.db2.gz UBLFMQUYRYJNTI-KOLCDFICSA-N 1 0 248.286 1.238 20 5 BDBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccno1 ZINC001169008068 969335114 /nfs/dbraw/zinc/33/51/14/969335114.db2.gz RJYFDXCBMGNDDJ-GUBZILKMSA-N 1 0 239.275 1.771 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2C[C@@H](F)[C@@H](F)C2)C1 ZINC001169010682 969337136 /nfs/dbraw/zinc/33/71/36/969337136.db2.gz FLISHULBGVPBHT-KYXWUPHJSA-N 1 0 234.246 1.424 20 5 BDBDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169010245 969337358 /nfs/dbraw/zinc/33/73/58/969337358.db2.gz BSAFAKNWVIETFM-ZNSHCXBVSA-N 1 0 230.283 1.722 20 5 BDBDRO CO[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169010159 969339226 /nfs/dbraw/zinc/33/92/26/969339226.db2.gz ZDVNQAVKLBVPAV-IJLUTSLNSA-N 1 0 242.319 1.543 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC001169011295 969339242 /nfs/dbraw/zinc/33/92/42/969339242.db2.gz JOAVYPQIZYUIRB-NNYUYHANSA-N 1 0 240.303 1.010 20 5 BDBDRO CC(C)[C@H](CCO)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987586 969342426 /nfs/dbraw/zinc/34/24/26/969342426.db2.gz JQSXHZPOGWZGEU-SRVKXCTJSA-N 1 0 244.335 1.428 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(CO)CC2)C1 ZINC001169013983 969342960 /nfs/dbraw/zinc/34/29/60/969342960.db2.gz XHGDPLFJFCSUKM-NWDGAFQWSA-N 1 0 242.319 1.136 20 5 BDBDRO O=C1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168988092 969344782 /nfs/dbraw/zinc/34/47/82/969344782.db2.gz NTVSHERZGRVNNJ-OUAUKWLOSA-N 1 0 240.303 1.533 20 5 BDBDRO C[N@H+](CC1COC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033280 969351738 /nfs/dbraw/zinc/35/17/38/969351738.db2.gz BRRHHUMGOALIBB-GXSJLCMTSA-N 1 0 228.292 1.010 20 5 BDBDRO CC[N@H+](CC(C)(C)O)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035198 969354118 /nfs/dbraw/zinc/35/41/18/969354118.db2.gz BKAKWTUBNVSRAZ-MNOVXSKESA-N 1 0 244.335 1.525 20 5 BDBDRO C[N@H+](CC1(C)COC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034590 969354443 /nfs/dbraw/zinc/35/44/43/969354443.db2.gz IEKAUAXVRIILSQ-MNOVXSKESA-N 1 0 242.319 1.400 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001169037082 969357753 /nfs/dbraw/zinc/35/77/53/969357753.db2.gz IRGZCARUSWZWQU-NOOOWODRSA-N 1 0 240.303 1.153 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001169024435 969364704 /nfs/dbraw/zinc/36/47/04/969364704.db2.gz HAYYLLRBQLTWTB-WTPMCQDGSA-N 1 0 242.294 1.864 20 5 BDBDRO CCO[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047882 969364795 /nfs/dbraw/zinc/36/47/95/969364795.db2.gz SFNADFBKQBBIGB-IJLUTSLNSA-N 1 0 242.319 1.543 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CC1)C2 ZINC001254571372 969740630 /nfs/dbraw/zinc/74/06/30/969740630.db2.gz UASOSFHTBDRWRO-NSHDSACASA-N 1 0 218.256 1.814 20 5 BDBDRO CC(=O)CN(C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600631 969744536 /nfs/dbraw/zinc/74/45/36/969744536.db2.gz UAUXQXVKNCROFQ-CYBMUJFWSA-N 1 0 248.282 1.583 20 5 BDBDRO Cc1cnc(-n2ccc(C[NH3+])c2)cc1[N+](=O)[O-] ZINC001169725545 969818170 /nfs/dbraw/zinc/81/81/70/969818170.db2.gz GZKKSANKJSNCQF-UHFFFAOYSA-N 1 0 232.243 1.548 20 5 BDBDRO COc1ccc(-n2ccc(C[NH3+])c2)nc1[N+](=O)[O-] ZINC001169716109 969830082 /nfs/dbraw/zinc/83/00/82/969830082.db2.gz CPPLTOPIAKHQNY-UHFFFAOYSA-N 1 0 248.242 1.248 20 5 BDBDRO C[NH2+][C@H](C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001327416874 972572163 /nfs/dbraw/zinc/57/21/63/972572163.db2.gz UZVSPEMWCGAWLH-SNVBAGLBSA-N 1 0 237.303 1.682 20 5 BDBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCC1CCCC1 ZINC001222707852 972652968 /nfs/dbraw/zinc/65/29/68/972652968.db2.gz JATISTUCLPZGKH-GFCCVEGCSA-N 1 0 244.355 1.177 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCc1ccnn1C ZINC001222714549 972665605 /nfs/dbraw/zinc/66/56/05/972665605.db2.gz QMEQOJZJHMFZMJ-SNVBAGLBSA-N 1 0 212.317 1.031 20 5 BDBDRO COc1ncc([N+](=O)[O-])cc1NCC(C)(C)[NH3+] ZINC001171194740 972846472 /nfs/dbraw/zinc/84/64/72/972846472.db2.gz COXMSHCKCIMTML-UHFFFAOYSA-N 1 0 240.263 1.148 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCc1cscn1 ZINC001223570114 973179809 /nfs/dbraw/zinc/17/98/09/973179809.db2.gz MLNNDIIEEVWCGA-VIFPVBQESA-N 1 0 215.342 1.754 20 5 BDBDRO C[C@@H](C[NH3+])C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329118636 973495412 /nfs/dbraw/zinc/49/54/12/973495412.db2.gz OYYYXCFRQITZBV-QMMMGPOBSA-N 1 0 249.270 1.032 20 5 BDBDRO C=CC(=O)OC[C@H](C)OCCC[N+](C)(C)C ZINC001224621753 973805717 /nfs/dbraw/zinc/80/57/17/973805717.db2.gz CUBHEKSOGOPHEC-NSHDSACASA-N 1 0 230.328 1.217 20 5 BDBDRO Cc1c([C@@H](C)OCC[N+](C)(C)C)cnn1C ZINC001224772256 973937242 /nfs/dbraw/zinc/93/72/42/973937242.db2.gz XXFJIEOZBODQFO-LLVKDONJSA-N 1 0 226.344 1.512 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCCC1(C)OCCO1 ZINC001224887236 974048273 /nfs/dbraw/zinc/04/82/73/974048273.db2.gz ZHQHPFLYDTXTSC-NSHDSACASA-N 1 0 232.344 1.251 20 5 BDBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)cn1 ZINC001225276778 974342387 /nfs/dbraw/zinc/34/23/87/974342387.db2.gz FKYQWMQGOSZHIE-NSHDSACASA-N 1 0 209.313 1.864 20 5 BDBDRO Cc1cccc(O[C@H](C)C[N+](C)(C)C)n1 ZINC001225279806 974344887 /nfs/dbraw/zinc/34/48/87/974344887.db2.gz QMKGZPWQKJIMPU-LLVKDONJSA-N 1 0 209.313 1.864 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(=O)cc[nH]1 ZINC001225606379 974588963 /nfs/dbraw/zinc/58/89/63/974588963.db2.gz FILDTNDHWREGHT-SECBINFHSA-O 1 0 211.285 1.261 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)cn1 ZINC001225692766 974647278 /nfs/dbraw/zinc/64/72/78/974647278.db2.gz ZAMXQTCHWDFMCI-VIFPVBQESA-N 1 0 213.276 1.694 20 5 BDBDRO C[C@@H](C[NH+](C)C)Oc1cccc([N+](=O)[O-])c1 ZINC001226763029 975062777 /nfs/dbraw/zinc/06/27/77/975062777.db2.gz HDUWZHKLGAILJZ-VIFPVBQESA-N 1 0 224.260 1.924 20 5 BDBDRO COCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213655 975076136 /nfs/dbraw/zinc/07/61/36/975076136.db2.gz HBIZKWRONKHONU-JTQLQIEISA-N 1 0 238.287 1.762 20 5 BDBDRO C[C@@H](O)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213760 975080571 /nfs/dbraw/zinc/08/05/71/975080571.db2.gz HQKFEIBALPBSLY-VHSXEESVSA-N 1 0 238.287 1.496 20 5 BDBDRO Cn1cc([C@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C)cn1 ZINC001332725683 975273168 /nfs/dbraw/zinc/27/31/68/975273168.db2.gz BDUSMODVZRBFSG-JTQLQIEISA-N 1 0 240.307 1.374 20 5 BDBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001332886634 975311230 /nfs/dbraw/zinc/31/12/30/975311230.db2.gz KGULMHAWQDYEIN-ZJUUUORDSA-N 1 0 200.282 1.822 20 5 BDBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001332897110 975312965 /nfs/dbraw/zinc/31/29/65/975312965.db2.gz IJPOIEAORPJLDB-UWVGGRQHSA-N 1 0 232.349 1.917 20 5 BDBDRO COCC[N@H+](CC[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC001332980985 975353990 /nfs/dbraw/zinc/35/39/90/975353990.db2.gz OVESKXKKTZVXSH-WDEREUQCSA-N 1 0 230.308 1.400 20 5 BDBDRO C[N@@H+]1CCC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227988142 975834216 /nfs/dbraw/zinc/83/42/16/975834216.db2.gz PFTKNMLCVROVSD-JTQLQIEISA-N 1 0 237.259 1.463 20 5 BDBDRO COc1ncccc1O[C@H](C)C[N+](C)(C)C ZINC001228591561 976366159 /nfs/dbraw/zinc/36/61/59/976366159.db2.gz UHCKGKKXUJQXIG-SNVBAGLBSA-N 1 0 225.312 1.564 20 5 BDBDRO Cc1ncnc(C)c1O[C@H](C)C[N+](C)(C)C ZINC001228852732 976531636 /nfs/dbraw/zinc/53/16/36/976531636.db2.gz FBFYVXVBXBGAJN-SECBINFHSA-N 1 0 224.328 1.567 20 5 BDBDRO C[C@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])ccc1O ZINC001229395147 976857438 /nfs/dbraw/zinc/85/74/38/976857438.db2.gz FOBHEQDBBAYXSX-MRVPVSSYSA-N 1 0 240.259 1.629 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)NC(=O)C2 ZINC001230948046 977392095 /nfs/dbraw/zinc/39/20/95/977392095.db2.gz UNMFDOQRLICKSB-SNVBAGLBSA-O 1 0 249.334 1.655 20 5 BDBDRO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]CC[N+](=O)[O-] ZINC001336732584 977891226 /nfs/dbraw/zinc/89/12/26/977891226.db2.gz GLNHLZMBFYBMTB-SNVBAGLBSA-N 1 0 240.307 1.164 20 5 BDBDRO C[N@@H+]1CC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233855625 978712592 /nfs/dbraw/zinc/71/25/92/978712592.db2.gz UUSMYCUWILMDAM-SECBINFHSA-N 1 0 223.232 1.073 20 5 BDBDRO Cc1cc(CNCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000716460747 979831416 /nfs/dbraw/zinc/83/14/16/979831416.db2.gz VWYFMXOHOOIUHK-UHFFFAOYSA-N 1 0 246.270 1.916 20 5 BDBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC001345667445 980667323 /nfs/dbraw/zinc/66/73/23/980667323.db2.gz JUHFXZGMPOVTPD-SNVBAGLBSA-N 1 0 244.291 1.069 20 5 BDBDRO C[NH2+]CCC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001346503678 980854238 /nfs/dbraw/zinc/85/42/38/980854238.db2.gz GHZCGDZPMOMARL-UHFFFAOYSA-N 1 0 237.259 1.451 20 5 BDBDRO Cc1nn(C[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001349112189 981507986 /nfs/dbraw/zinc/50/79/86/981507986.db2.gz ITWYCETYETVULF-VIFPVBQESA-N 1 0 224.264 1.099 20 5 BDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc[nH]n1 ZINC001202228689 983591573 /nfs/dbraw/zinc/59/15/73/983591573.db2.gz WCAQKYKPKRPFTK-UHFFFAOYSA-N 1 0 246.270 1.650 20 5 BDBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000688044028 985511510 /nfs/dbraw/zinc/51/15/10/985511510.db2.gz MIPBPHVUCDPJPH-CABZTGNLSA-N 1 0 236.271 1.719 20 5 BDBDRO C[C@H]1COC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000688052079 985541421 /nfs/dbraw/zinc/54/14/21/985541421.db2.gz ZOHURNPAEGWJJF-JOYOIKCWSA-N 1 0 236.271 1.719 20 5 BDBDRO C[C@@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])[C@H](C)C1 ZINC001120354446 989632114 /nfs/dbraw/zinc/63/21/14/989632114.db2.gz FSLZCYUWKARATI-BBBLOLIVSA-N 1 0 200.282 1.677 20 5 BDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])c1ccccn1 ZINC001120576088 989747917 /nfs/dbraw/zinc/74/79/17/989747917.db2.gz CAGPDUIWRAEBOY-SECBINFHSA-N 1 0 209.249 1.051 20 5 BDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1cccs1 ZINC001559755372 991244156 /nfs/dbraw/zinc/24/41/56/991244156.db2.gz ZDTZYOLXHIQJEC-ZETCQYMHSA-N 1 0 200.263 1.675 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC(Nc2ccccc2)CC1 ZINC001262233308 992814395 /nfs/dbraw/zinc/81/43/95/992814395.db2.gz BCSDHJMGODTFFW-UHFFFAOYSA-N 1 0 249.314 1.840 20 5 BDBDRO Cc1cc(N2CCC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC000036245119 178114846 /nfs/dbraw/zinc/11/48/46/178114846.db2.gz DZIWNWBEYFLDNZ-UHFFFAOYSA-N 1 0 236.275 1.098 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000183252322 178271199 /nfs/dbraw/zinc/27/11/99/178271199.db2.gz KWCXPWJJFVVADO-GFCCVEGCSA-N 1 0 236.271 1.470 20 5 BDBDRO C[C@@H](CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000133098547 398321982 /nfs/dbraw/zinc/32/19/82/398321982.db2.gz MNUMULZDMPOOCQ-JTQLQIEISA-N 1 0 238.287 1.498 20 5 BDBDRO CC(=O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000602833590 349768725 /nfs/dbraw/zinc/76/87/25/349768725.db2.gz XIKNCCVPWSNWES-UHFFFAOYSA-N 1 0 236.271 1.658 20 5 BDBDRO COCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000046783870 343550161 /nfs/dbraw/zinc/55/01/61/343550161.db2.gz XJWYQYPPZWXECY-UHFFFAOYSA-N 1 0 224.260 1.673 20 5 BDBDRO CC(C)(C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000063020445 187273958 /nfs/dbraw/zinc/27/39/58/187273958.db2.gz VITXEHJHSSPOGJ-UHFFFAOYSA-N 1 0 237.259 1.062 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CCC[C@H]32)c1 ZINC000610762458 344151769 /nfs/dbraw/zinc/15/17/69/344151769.db2.gz GLKRWAYKZXWIPK-GXSJLCMTSA-N 1 0 236.275 1.276 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC=CCC2)c1 ZINC000611517498 344749633 /nfs/dbraw/zinc/74/96/33/344749633.db2.gz JFDXCHOAPPCJMP-UHFFFAOYSA-N 1 0 222.248 1.053 20 5 BDBDRO C[NH+](C)C1CN(c2ccsc2[N+](=O)[O-])C1 ZINC000612448832 344897122 /nfs/dbraw/zinc/89/71/22/344897122.db2.gz LMHNAZHLXMCCKX-UHFFFAOYSA-N 1 0 227.289 1.407 20 5 BDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CO ZINC000449177643 201828070 /nfs/dbraw/zinc/82/80/70/201828070.db2.gz WFXGTJOFGGDTAQ-ZJUUUORDSA-N 1 0 238.287 1.496 20 5 BDBDRO Cc1cnc(N2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000203535527 345731088 /nfs/dbraw/zinc/73/10/88/345731088.db2.gz KYTHIHKQJUAHAS-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO CC(C)[NH+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000183056920 187309841 /nfs/dbraw/zinc/30/98/41/187309841.db2.gz IKGNALHDDWPOEZ-UHFFFAOYSA-N 1 0 240.307 1.910 20 5 BDBDRO CC(C)([NH3+])CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000133624266 187360603 /nfs/dbraw/zinc/36/06/03/187360603.db2.gz UVFITAHIXIIXLO-UHFFFAOYSA-N 1 0 244.682 1.792 20 5 BDBDRO Cc1cccc(N2C[C@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000235677699 179124148 /nfs/dbraw/zinc/12/41/48/179124148.db2.gz FELLPLWGPMHJDW-UWVGGRQHSA-N 1 0 235.287 1.687 20 5 BDBDRO Cc1c([C@H](C)NC[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000591580647 347677528 /nfs/dbraw/zinc/67/75/28/347677528.db2.gz DPHAHVJMJKYOAZ-WPRPVWTQSA-N 1 0 237.303 1.901 20 5 BDBDRO COc1cc(C2=CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000592989432 347837602 /nfs/dbraw/zinc/83/76/02/347837602.db2.gz WRIAVPLPPUHNLI-UHFFFAOYSA-N 1 0 234.255 1.980 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]C/C=C\CO)c1 ZINC000594974568 348162743 /nfs/dbraw/zinc/16/27/43/348162743.db2.gz MDSSKKPZAJQRBG-UPHRSURJSA-N 1 0 222.244 1.233 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C/CO)cc1 ZINC000594974938 348162780 /nfs/dbraw/zinc/16/27/80/348162780.db2.gz OHOFDSPRUBKYCI-OWOJBTEDSA-N 1 0 222.244 1.233 20 5 BDBDRO C[NH+](C)CC1CN(c2sccc2[N+](=O)[O-])C1 ZINC000596245983 348486472 /nfs/dbraw/zinc/48/64/72/348486472.db2.gz APAUDOXXWJIKMU-UHFFFAOYSA-N 1 0 241.316 1.654 20 5 BDBDRO C[C@H](CCNc1ccncc1[N+](=O)[O-])[NH+](C)C ZINC000596434677 348546298 /nfs/dbraw/zinc/54/62/98/348546298.db2.gz YATKSPUDOFSECT-SECBINFHSA-N 1 0 238.291 1.164 20 5 BDBDRO C[C@H]([NH2+]CC1COC1)c1ccc([N+](=O)[O-])cc1 ZINC000599085313 349089813 /nfs/dbraw/zinc/08/98/13/349089813.db2.gz PHVVSZWZROGWRN-VIFPVBQESA-N 1 0 236.271 1.892 20 5 BDBDRO O=[N+]([O-])c1ccc(CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000051787285 350112512 /nfs/dbraw/zinc/11/25/12/350112512.db2.gz NYWJMZXCPJSAAV-GFCCVEGCSA-N 1 0 236.271 1.863 20 5 BDBDRO O=[N+]([O-])c1cccc(CNCCC[NH2+]C2CC2)c1 ZINC000382602043 350894065 /nfs/dbraw/zinc/89/40/65/350894065.db2.gz SMWUPSBIDSXVHT-UHFFFAOYSA-N 1 0 249.314 1.827 20 5 BDBDRO [NH3+]CCCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771562 363011399 /nfs/dbraw/zinc/01/13/99/363011399.db2.gz JNCDUVHRIIQIIO-UHFFFAOYSA-N 1 0 249.274 1.622 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]3CCC2CC3)cn1 ZINC000344802552 353116784 /nfs/dbraw/zinc/11/67/84/353116784.db2.gz YAZAOEPTMJWUTH-UHFFFAOYSA-N 1 0 248.286 1.274 20 5 BDBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000271603983 188026157 /nfs/dbraw/zinc/02/61/57/188026157.db2.gz IVSBMALJTORPJR-NSHDSACASA-N 1 0 249.314 1.983 20 5 BDBDRO CC(C)([NH2+]CCCO)c1ccccc1[N+](=O)[O-] ZINC000292113297 188037120 /nfs/dbraw/zinc/03/71/20/188037120.db2.gz JGMZMVSLLQQCHH-UHFFFAOYSA-N 1 0 238.287 1.802 20 5 BDBDRO CC[NH+](CC)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000192824896 353570295 /nfs/dbraw/zinc/57/02/95/353570295.db2.gz LKNZSVBGRISAAW-UHFFFAOYSA-N 1 0 240.307 1.750 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000449753506 202022394 /nfs/dbraw/zinc/02/23/94/202022394.db2.gz OYVIQMAPVKRQAA-KLPPZKSPSA-N 1 0 236.271 1.516 20 5 BDBDRO [NH3+]CCCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000229823365 355420119 /nfs/dbraw/zinc/42/01/19/355420119.db2.gz YNACKAOVFNPTOB-UHFFFAOYSA-N 1 0 247.258 1.067 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CNC1CC[NH2+]CC1 ZINC000414781793 191567622 /nfs/dbraw/zinc/56/76/22/191567622.db2.gz DBHZGDMVSHTYHL-UHFFFAOYSA-N 1 0 249.314 1.745 20 5 BDBDRO [NH3+]CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420366889 192225666 /nfs/dbraw/zinc/22/56/66/192225666.db2.gz UZZXEIZQFUOEGL-UHFFFAOYSA-N 1 0 235.287 1.518 20 5 BDBDRO CC[C@H](NC[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000420391909 192236773 /nfs/dbraw/zinc/23/67/73/192236773.db2.gz BGVKPKOOEVHWFX-SKDRFNHKSA-N 1 0 237.303 1.983 20 5 BDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000037985925 356456715 /nfs/dbraw/zinc/45/67/15/356456715.db2.gz PHMARNVJYHHEJB-MRVPVSSYSA-N 1 0 224.264 1.352 20 5 BDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000088058574 356467458 /nfs/dbraw/zinc/46/74/58/356467458.db2.gz NOEQTBCJDAEFNF-SNVBAGLBSA-N 1 0 235.287 1.389 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385251010 357033316 /nfs/dbraw/zinc/03/33/16/357033316.db2.gz SGSWCBXZOUGWGS-MFKMUULPSA-N 1 0 247.298 1.389 20 5 BDBDRO [NH3+][C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000346630515 357118571 /nfs/dbraw/zinc/11/85/71/357118571.db2.gz CMBJLIZPIDIVGI-OGOUPESXSA-N 1 0 247.298 1.641 20 5 BDBDRO C[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677777 358088254 /nfs/dbraw/zinc/08/82/54/358088254.db2.gz BCRVIGPIZGEGOX-SECBINFHSA-N 1 0 224.260 1.108 20 5 BDBDRO COc1ccc([N+](=O)[O-])cc1OCC1C[NH2+]C1 ZINC000306073470 358533610 /nfs/dbraw/zinc/53/36/10/358533610.db2.gz DNWHDJOLVPKJAA-UHFFFAOYSA-N 1 0 238.243 1.202 20 5 BDBDRO CCN(CC[NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000300770412 360488039 /nfs/dbraw/zinc/48/80/39/360488039.db2.gz ZRSLSMNCGZGQIG-UHFFFAOYSA-N 1 0 223.276 1.375 20 5 BDBDRO O=C(CC[NH2+]C1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000037395901 363957012 /nfs/dbraw/zinc/95/70/12/363957012.db2.gz AWSBIOLRYFWSBQ-UHFFFAOYSA-N 1 0 249.270 1.675 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)[NH3+] ZINC000037608271 364265152 /nfs/dbraw/zinc/26/51/52/364265152.db2.gz QHRKNNFAKCCQLQ-QMMMGPOBSA-N 1 0 237.259 1.579 20 5 BDBDRO [NH3+]CCCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000181094876 181377700 /nfs/dbraw/zinc/37/77/00/181377700.db2.gz ARVHJMMRVKZLGB-UHFFFAOYSA-N 1 0 243.288 1.125 20 5 BDBDRO C[C@H](C1CC1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157811398 326296517 /nfs/dbraw/zinc/29/65/17/326296517.db2.gz RVPMZYJEBFHDQU-SECBINFHSA-N 1 0 238.291 1.522 20 5 BDBDRO Cc1ccc(NC(=O)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000019435488 371145399 /nfs/dbraw/zinc/14/53/99/371145399.db2.gz ZYZYDVUJNMDGDN-ZETCQYMHSA-N 1 0 223.232 1.189 20 5 BDBDRO CCN(CC[NH3+])Cc1c(F)cccc1[N+](=O)[O-] ZINC000600715171 371698310 /nfs/dbraw/zinc/69/83/10/371698310.db2.gz GFNLGZXCTRRBDB-UHFFFAOYSA-N 1 0 241.266 1.515 20 5 BDBDRO O=[N+]([O-])c1ccc(OCC2C[NH2+]C2)c(F)c1 ZINC000304455057 371791330 /nfs/dbraw/zinc/79/13/30/371791330.db2.gz KWHRGNUAMRVIIS-UHFFFAOYSA-N 1 0 226.207 1.332 20 5 BDBDRO Cc1c(CN2C[C@@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000601329149 371747755 /nfs/dbraw/zinc/74/77/55/371747755.db2.gz FXORINNROLLVQQ-SKDRFNHKSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@@H]1C[NH+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C ZINC000602474815 371809259 /nfs/dbraw/zinc/80/92/59/371809259.db2.gz SIBAHBXRVVPUEU-RKDXNWHRSA-N 1 0 238.291 1.416 20 5 BDBDRO Cc1c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cccc1[N+](=O)[O-] ZINC000603092155 371867784 /nfs/dbraw/zinc/86/77/84/371867784.db2.gz TTWBEBWMMYBIKH-DGCLKSJQSA-N 1 0 248.282 1.470 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1[C@@H](C)C[C@@H]1C ZINC000602819598 371842595 /nfs/dbraw/zinc/84/25/95/371842595.db2.gz CVHCKFZXLCUUMX-IUCAKERBSA-N 1 0 238.291 1.582 20 5 BDBDRO CN(CCC[NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000133214974 372006116 /nfs/dbraw/zinc/00/61/16/372006116.db2.gz FOSZBCSBHYIGLK-UHFFFAOYSA-N 1 0 223.276 1.375 20 5 BDBDRO O=[N+]([O-])c1cccnc1O[C@H]1CCC[NH2+]C1 ZINC000040434995 373264230 /nfs/dbraw/zinc/26/42/30/373264230.db2.gz IKHMXHBROGFVRK-QMMMGPOBSA-N 1 0 223.232 1.121 20 5 BDBDRO CN1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000040672421 373586373 /nfs/dbraw/zinc/58/63/73/373586373.db2.gz CKJFGTKBCNWNOP-LBPRGKRZSA-N 1 0 249.314 1.779 20 5 BDBDRO CC[N@H+](C)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000288630457 383930488 /nfs/dbraw/zinc/93/04/88/383930488.db2.gz YLLGDKLYILJPMS-UHFFFAOYSA-N 1 0 238.291 1.541 20 5 BDBDRO C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000310224692 384058425 /nfs/dbraw/zinc/05/84/25/384058425.db2.gz GPBWJPCUBPTKLP-JTQLQIEISA-N 1 0 237.303 1.812 20 5 BDBDRO C[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000178021732 384194810 /nfs/dbraw/zinc/19/48/10/384194810.db2.gz WIMAJICTUPDPNT-LBPRGKRZSA-N 1 0 236.271 1.552 20 5 BDBDRO Cc1ccnc(N2C[C@@H](C)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000235333565 384347470 /nfs/dbraw/zinc/34/74/70/384347470.db2.gz TXHXPVNMEJDESX-BDAKNGLRSA-N 1 0 236.275 1.082 20 5 BDBDRO C[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157346104 384374122 /nfs/dbraw/zinc/37/41/22/384374122.db2.gz QYUGFAZHVDVNPA-SNVBAGLBSA-N 1 0 238.291 1.666 20 5 BDBDRO CC(C)[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000134697556 384386401 /nfs/dbraw/zinc/38/64/01/384386401.db2.gz VCERSWLJCNVUSN-LBPRGKRZSA-N 1 0 238.287 1.701 20 5 BDBDRO Cc1c([C@H](C)[NH2+]CCO)cccc1[N+](=O)[O-] ZINC000166485634 384390572 /nfs/dbraw/zinc/39/05/72/384390572.db2.gz WFJKQNYQTCDOCF-VIFPVBQESA-N 1 0 224.260 1.546 20 5 BDBDRO C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000423011356 384493475 /nfs/dbraw/zinc/49/34/75/384493475.db2.gz AXKZJOGBVYSTDI-ZJUUUORDSA-N 1 0 249.314 1.853 20 5 BDBDRO C[C@@H](CCO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000097436120 384520280 /nfs/dbraw/zinc/52/02/80/384520280.db2.gz BVKJNTFKBGRARF-JTQLQIEISA-N 1 0 238.287 1.703 20 5 BDBDRO C[NH2+][C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000149304851 384552714 /nfs/dbraw/zinc/55/27/14/384552714.db2.gz AUBRQCKIEPNENS-NSHDSACASA-N 1 0 235.287 1.389 20 5 BDBDRO CC[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000049754375 384563844 /nfs/dbraw/zinc/56/38/44/384563844.db2.gz MVEXZHREBXQZII-UHFFFAOYSA-N 1 0 224.260 1.409 20 5 BDBDRO [NH3+]C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000044527724 384774070 /nfs/dbraw/zinc/77/40/70/384774070.db2.gz OLVWSDPEDGOXMT-GFCCVEGCSA-N 1 0 249.314 1.766 20 5 BDBDRO C[C@@H](C[NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000262062245 384957574 /nfs/dbraw/zinc/95/75/74/384957574.db2.gz ISFOBDYDLWRUIL-QMMMGPOBSA-N 1 0 249.270 1.079 20 5 BDBDRO Cc1c(NC(=O)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000062113798 385060892 /nfs/dbraw/zinc/06/08/92/385060892.db2.gz ZLJWNGLSHYCBMZ-VIFPVBQESA-N 1 0 249.270 1.451 20 5 BDBDRO Cc1c(C[N@@H+](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000135506098 385033073 /nfs/dbraw/zinc/03/30/73/385033073.db2.gz FCTIFWBQSIXTAM-VIFPVBQESA-N 1 0 238.287 1.716 20 5 BDBDRO C[N@@H+]1CCCC[C@@H]1CCn1cnc([N+](=O)[O-])n1 ZINC000408014570 385405861 /nfs/dbraw/zinc/40/58/61/385405861.db2.gz PTAFPUUSAFWLHW-SECBINFHSA-N 1 0 239.279 1.061 20 5 BDBDRO CC[NH2+]CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149414034 385555074 /nfs/dbraw/zinc/55/50/74/385555074.db2.gz GIUZPMUBXGJQJF-UHFFFAOYSA-N 1 0 244.682 1.665 20 5 BDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)C[NH+](C)C ZINC000291857876 385745832 /nfs/dbraw/zinc/74/58/32/385745832.db2.gz MUYRZAIAJWKFQC-VIFPVBQESA-N 1 0 238.291 1.599 20 5 BDBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCC[NH2+]1 ZINC000053255104 386556614 /nfs/dbraw/zinc/55/66/14/386556614.db2.gz MAVYPDRIMUMEFK-VIFPVBQESA-N 1 0 239.250 1.898 20 5 BDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[NH2+]1 ZINC000053255352 386559069 /nfs/dbraw/zinc/55/90/69/386559069.db2.gz QDFUIRHEAHRVOW-MRVPVSSYSA-N 1 0 222.248 1.154 20 5 BDBDRO Cc1cc(NCCCC[NH3+])ncc1[N+](=O)[O-] ZINC000086001859 386739056 /nfs/dbraw/zinc/73/90/56/386739056.db2.gz JNRZHBRFUXAPQR-UHFFFAOYSA-N 1 0 224.264 1.449 20 5 BDBDRO C[C@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294608930 386820391 /nfs/dbraw/zinc/82/03/91/386820391.db2.gz DQFUQXMCIMVINP-YUMQZZPRSA-N 1 0 239.275 1.208 20 5 BDBDRO C[C@H](NC(=O)C1([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000088130257 386841384 /nfs/dbraw/zinc/84/13/84/386841384.db2.gz LLIDKPGAMPFXSS-QMMMGPOBSA-N 1 0 249.270 1.263 20 5 BDBDRO Cc1nc(N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268518479 387021367 /nfs/dbraw/zinc/02/13/67/387021367.db2.gz UHXMLZOUQJMJKH-UHFFFAOYSA-N 1 0 238.291 1.296 20 5 BDBDRO CC(C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000054128199 387347552 /nfs/dbraw/zinc/34/75/52/387347552.db2.gz FQZSVEOCOSGRIG-UHFFFAOYSA-N 1 0 239.279 1.137 20 5 BDBDRO C[NH+](C)CCCNCc1ccccc1[N+](=O)[O-] ZINC000020054119 387490791 /nfs/dbraw/zinc/49/07/91/387490791.db2.gz BUENGHWNRZLXIA-UHFFFAOYSA-N 1 0 237.303 1.636 20 5 BDBDRO C[C@H](CC[NH3+])NCc1csc([N+](=O)[O-])c1 ZINC000414889264 387590663 /nfs/dbraw/zinc/59/06/63/387590663.db2.gz SHUMJMUGIVTNFZ-SSDOTTSWSA-N 1 0 229.305 1.483 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[NH2+]C1 ZINC000414893198 387593020 /nfs/dbraw/zinc/59/30/20/387593020.db2.gz YSBMXBFTGVZHSW-LLVKDONJSA-N 1 0 235.287 1.355 20 5 BDBDRO CC[C@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1 ZINC000414977745 387627316 /nfs/dbraw/zinc/62/73/16/387627316.db2.gz KTGLDFZHQDJJJK-JTQLQIEISA-N 1 0 223.276 1.422 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)CC[NH3+] ZINC000415109058 387708281 /nfs/dbraw/zinc/70/82/81/387708281.db2.gz NIFLRGUTOGIAGC-UHFFFAOYSA-N 1 0 223.276 1.294 20 5 BDBDRO C[C@@H]1C[C@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000548097560 388095686 /nfs/dbraw/zinc/09/56/86/388095686.db2.gz PWDQDCHGIKWRTG-DTORHVGOSA-N 1 0 224.264 1.274 20 5 BDBDRO C[C@H]([NH2+]CCC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000036746823 388259270 /nfs/dbraw/zinc/25/92/70/388259270.db2.gz GTQKLPXOFDVPNF-QMMMGPOBSA-N 1 0 237.259 1.121 20 5 BDBDRO [NH3+]C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000230065894 388349581 /nfs/dbraw/zinc/34/95/81/388349581.db2.gz GOUFXPRPIYOBNU-UHFFFAOYSA-N 1 0 249.270 1.206 20 5 BDBDRO CN(CC[NH3+])C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000212259791 256647232 /nfs/dbraw/zinc/64/72/32/256647232.db2.gz FPDTZCMGPJOVCR-WAYWQWQTSA-N 1 0 249.270 1.025 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](O)C1 ZINC000271050335 388371098 /nfs/dbraw/zinc/37/10/98/388371098.db2.gz VOYXZLJJQZSHPZ-OGOUPESXSA-N 1 0 248.282 1.675 20 5 BDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000090539445 388377254 /nfs/dbraw/zinc/37/72/54/388377254.db2.gz ACRVCSCWXCBKKK-LLVKDONJSA-N 1 0 240.307 1.816 20 5 BDBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](CO)C2)cs1 ZINC000164320851 388390534 /nfs/dbraw/zinc/39/05/34/388390534.db2.gz IEFUGAUVNPWPIX-MRVPVSSYSA-N 1 0 242.300 1.471 20 5 BDBDRO CC[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774360 388393385 /nfs/dbraw/zinc/39/33/85/388393385.db2.gz YLARDOVRAKIUBM-UHFFFAOYSA-N 1 0 242.250 1.548 20 5 BDBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000271719750 388399406 /nfs/dbraw/zinc/39/94/06/388399406.db2.gz JIVIGFNIMFAATA-UHFFFAOYSA-N 1 0 221.260 1.345 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC([NH+](C)C)C2)n1 ZINC000271743518 388401224 /nfs/dbraw/zinc/40/12/24/388401224.db2.gz RUKBUYCHQYRFFN-UHFFFAOYSA-N 1 0 236.275 1.048 20 5 BDBDRO C[NH2+][C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000123204325 388633658 /nfs/dbraw/zinc/63/36/58/388633658.db2.gz HWIPUDXXHTYJEY-LLVKDONJSA-N 1 0 235.287 1.389 20 5 BDBDRO [NH3+][C@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422948941 388686852 /nfs/dbraw/zinc/68/68/52/388686852.db2.gz SIGOSCPJKCTEQO-QWRGUYRKSA-N 1 0 235.287 1.564 20 5 BDBDRO Cc1c(CN[C@@H](C)C2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423072835 388687902 /nfs/dbraw/zinc/68/79/02/388687902.db2.gz KABGFLZSOJVJPY-JTQLQIEISA-N 1 0 249.314 1.601 20 5 BDBDRO [NH3+]CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423176376 388688528 /nfs/dbraw/zinc/68/85/28/388688528.db2.gz BXLUNQVZRRWGFL-GFCCVEGCSA-N 1 0 235.287 1.521 20 5 BDBDRO C[C@H](NC[C@@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423314164 388691359 /nfs/dbraw/zinc/69/13/59/388691359.db2.gz GRXMENKDCNIPLY-TVQRCGJNSA-N 1 0 249.314 1.983 20 5 BDBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](C)CO ZINC000125730214 388805650 /nfs/dbraw/zinc/80/56/50/388805650.db2.gz NJTQPKVRSSLTTK-HTQZYQBOSA-N 1 0 244.316 1.763 20 5 BDBDRO C[C@@H]([NH2+]CCO)c1cccc([N+](=O)[O-])c1 ZINC000020360729 388763028 /nfs/dbraw/zinc/76/30/28/388763028.db2.gz QFUSQBAIJZLQPX-MRVPVSSYSA-N 1 0 210.233 1.238 20 5 BDBDRO CC[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331021069 388764026 /nfs/dbraw/zinc/76/40/26/388764026.db2.gz YBIXYGFRDBEGGX-JTQLQIEISA-N 1 0 238.291 1.666 20 5 BDBDRO CC[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000129201037 388824546 /nfs/dbraw/zinc/82/45/46/388824546.db2.gz GOGJHCURQGAPHC-SNVBAGLBSA-N 1 0 249.270 1.221 20 5 BDBDRO [NH3+][C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000041030254 132223890 /nfs/dbraw/zinc/22/38/90/132223890.db2.gz YAEIJULMSSHIST-SECBINFHSA-N 1 0 239.250 1.661 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+][C@H](C)C2)c1 ZINC000094659267 132239084 /nfs/dbraw/zinc/23/90/84/132239084.db2.gz LAVDCKCLOMYXKM-SNVBAGLBSA-N 1 0 235.287 1.701 20 5 BDBDRO C[NH2+][C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261556476 135108674 /nfs/dbraw/zinc/10/86/74/135108674.db2.gz QUFYMRHTMOWFMS-QMMMGPOBSA-N 1 0 239.250 1.532 20 5 BDBDRO Cc1cc(N2CC[NH2+]C[C@H]2C)ncc1[N+](=O)[O-] ZINC000261538176 135175796 /nfs/dbraw/zinc/17/57/96/135175796.db2.gz NOJXRTUWDPWANP-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccccc1[N+](=O)[O-] ZINC000261541570 135181679 /nfs/dbraw/zinc/18/16/79/135181679.db2.gz BJDABNQLDPJQOZ-MWLCHTKSSA-N 1 0 235.287 1.516 20 5 BDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000261544424 135185667 /nfs/dbraw/zinc/18/56/67/135185667.db2.gz XZVIENVVOOSYJQ-JOYOIKCWSA-N 1 0 235.287 1.374 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261548801 135187340 /nfs/dbraw/zinc/18/73/40/135187340.db2.gz FAQKFBHLVXCHQD-JFGNBEQYSA-N 1 0 249.314 1.935 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261548800 135187863 /nfs/dbraw/zinc/18/78/63/135187863.db2.gz FAQKFBHLVXCHQD-CKYFFXLPSA-N 1 0 249.314 1.935 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261552779 135192183 /nfs/dbraw/zinc/19/21/83/135192183.db2.gz NKEZVQBYNCYEAU-NXEZZACHSA-N 1 0 235.287 1.829 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261565615 135208025 /nfs/dbraw/zinc/20/80/25/135208025.db2.gz HVBMSSLURVKUSR-UWVGGRQHSA-N 1 0 248.286 1.036 20 5 BDBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000261578902 135219865 /nfs/dbraw/zinc/21/98/65/135219865.db2.gz LZOIZHQTPIZHAU-DTWKUNHWSA-N 1 0 223.276 1.420 20 5 BDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000261581957 135222135 /nfs/dbraw/zinc/22/21/35/135222135.db2.gz QZAVZHIUHQYOFB-OUAUKWLOSA-N 1 0 247.298 1.768 20 5 BDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]12 ZINC000261581891 135222244 /nfs/dbraw/zinc/22/22/44/135222244.db2.gz QWKFTJGDHQQFIS-OPRDCNLKSA-N 1 0 248.286 1.163 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261582236 135223594 /nfs/dbraw/zinc/22/35/94/135223594.db2.gz RBBPGUUOWBJZKL-NXEZZACHSA-N 1 0 248.286 1.036 20 5 BDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000261591651 135231982 /nfs/dbraw/zinc/23/19/82/135231982.db2.gz XXPXZCIUGYJJCF-PWSUYJOCSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@H](N[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000262038372 135275067 /nfs/dbraw/zinc/27/50/67/135275067.db2.gz HMSGLILNJTVUTI-VHSXEESVSA-N 1 0 235.287 1.607 20 5 BDBDRO O=[N+]([O-])c1ccc(CCNC2=[NH+]CCCN2)cc1 ZINC000262132586 135280583 /nfs/dbraw/zinc/28/05/83/135280583.db2.gz ODQFSUWSKXFUKS-UHFFFAOYSA-N 1 0 248.286 1.076 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](C)C1 ZINC000088058673 135514825 /nfs/dbraw/zinc/51/48/25/135514825.db2.gz ATDKVSYPPVPJKP-QWRGUYRKSA-N 1 0 249.314 1.950 20 5 BDBDRO CC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])COC1 ZINC000070987659 168044478 /nfs/dbraw/zinc/04/44/78/168044478.db2.gz UCTPYBQKSDZZNA-UHFFFAOYSA-N 1 0 236.271 1.721 20 5 BDBDRO CC1CC[NH+](CCn2nccc2[N+](=O)[O-])CC1 ZINC000128051609 168182798 /nfs/dbraw/zinc/18/27/98/168182798.db2.gz IVQYGBROCXARJC-UHFFFAOYSA-N 1 0 238.291 1.523 20 5 BDBDRO C[N@@H+]1CCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000049100026 173033274 /nfs/dbraw/zinc/03/32/74/173033274.db2.gz GRJBMPZVWWMFOG-SECBINFHSA-N 1 0 236.275 1.496 20 5 BDBDRO C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000054244729 173357035 /nfs/dbraw/zinc/35/70/35/173357035.db2.gz YKWQWAJMCQLNKP-UHFFFAOYSA-N 1 0 229.667 1.880 20 5 BDBDRO C[NH2+]C[C@@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000234366435 173370593 /nfs/dbraw/zinc/37/05/93/173370593.db2.gz POLGHHFGWURVTB-NSHDSACASA-N 1 0 249.314 1.949 20 5 BDBDRO COc1cccc(N[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000135050869 175280103 /nfs/dbraw/zinc/28/01/03/175280103.db2.gz FCEGKBFSEOOJHG-MRVPVSSYSA-N 1 0 237.259 1.377 20 5 BDBDRO C[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176286234 176108878 /nfs/dbraw/zinc/10/88/78/176108878.db2.gz QSFSJZDEWMRLET-SECBINFHSA-N 1 0 224.264 1.276 20 5 BDBDRO C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174881791 176109067 /nfs/dbraw/zinc/10/90/67/176109067.db2.gz KQHBMNINHDWEME-SECBINFHSA-N 1 0 224.264 1.276 20 5 BDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000235647541 177227640 /nfs/dbraw/zinc/22/76/40/177227640.db2.gz ZQSZLEDYARVHKE-KWQFWETISA-N 1 0 249.270 1.014 20 5 BDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])s2)[C@@H](C)C[NH2+]1 ZINC000226766704 177278021 /nfs/dbraw/zinc/27/80/21/177278021.db2.gz XBOCZKLNVBYKRR-BQBZGAKWSA-N 1 0 242.304 1.238 20 5 BDBDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000135310285 177402017 /nfs/dbraw/zinc/40/20/17/177402017.db2.gz NZFCKOXCSVUYPW-SKDRFNHKSA-N 1 0 236.271 1.862 20 5 BDBDRO C[NH+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])nc1 ZINC000308649713 229440522 /nfs/dbraw/zinc/44/05/22/229440522.db2.gz ZPIXHPDOTSDTTM-UHFFFAOYSA-N 1 0 238.291 1.742 20 5 BDBDRO [NH3+]CCCn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000566183644 322962804 /nfs/dbraw/zinc/96/28/04/322962804.db2.gz AYNMVOKFBWYKGD-UHFFFAOYSA-N 1 0 247.254 1.259 20 5 BDBDRO [NH3+][C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000399233853 323200990 /nfs/dbraw/zinc/20/09/90/323200990.db2.gz QBRQMLBAIIAKGD-NSHDSACASA-N 1 0 249.270 1.661 20 5 BDBDRO C[NH2+]CCCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000569220068 326395645 /nfs/dbraw/zinc/39/56/45/326395645.db2.gz JRKCVBLKEZWXJX-UHFFFAOYSA-N 1 0 228.223 1.722 20 5 BDBDRO COc1cccc([N+](=O)[O-])c1N1CC[NH2+]CC1 ZINC000147770198 488056645 /nfs/dbraw/zinc/05/66/45/488056645.db2.gz CQIQJKTXEVOJOQ-UHFFFAOYSA-N 1 0 237.259 1.013 20 5 BDBDRO C[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000053204773 536415333 /nfs/dbraw/zinc/41/53/33/536415333.db2.gz DKTBGORNIMLHLX-VIFPVBQESA-N 1 0 236.275 1.178 20 5 BDBDRO Cn1ncc([N+](=O)[O-])c1NCC(C)(C)[NH+](C)C ZINC000891495354 582692835 /nfs/dbraw/zinc/69/28/35/582692835.db2.gz QPUJUCKKNICNBM-UHFFFAOYSA-N 1 0 241.295 1.080 20 5 BDBDRO CCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892441094 582887620 /nfs/dbraw/zinc/88/76/20/582887620.db2.gz KGUWMSGTQOWDGQ-UHFFFAOYSA-N 1 0 240.259 1.809 20 5 BDBDRO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000893940782 583254754 /nfs/dbraw/zinc/25/47/54/583254754.db2.gz QBFYRGOZOXSOBW-ZWNOBZJWSA-N 1 0 247.298 1.735 20 5 BDBDRO CC1=NO[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000895312586 583648653 /nfs/dbraw/zinc/64/86/53/583648653.db2.gz YWGIIYRGWZINOU-LBPRGKRZSA-N 1 0 249.270 1.849 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C1CCCCCCC1 ZINC000899855613 584243316 /nfs/dbraw/zinc/24/33/16/584243316.db2.gz IJBIWSUUBZXELO-UHFFFAOYSA-N 1 0 200.282 1.966 20 5 BDBDRO Cc1[nH+]c2c(n1CC[N+](=O)[O-])CCCC2 ZINC000899890943 584245942 /nfs/dbraw/zinc/24/59/42/584245942.db2.gz KJFIRYIPZUHCCB-UHFFFAOYSA-N 1 0 209.249 1.347 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000899891260 584245960 /nfs/dbraw/zinc/24/59/60/584245960.db2.gz NLIBKROCMUMYAM-JTQLQIEISA-N 1 0 228.292 1.345 20 5 BDBDRO CC(C)[C@H]1[N@H+](CC[N+](=O)[O-])CC12CC=CC2 ZINC000899891510 584246375 /nfs/dbraw/zinc/24/63/75/584246375.db2.gz PTDGQQJCNVKICB-LLVKDONJSA-N 1 0 224.304 1.940 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1noc2ccccc12 ZINC000899891400 584246497 /nfs/dbraw/zinc/24/64/97/584246497.db2.gz OTDLHEZIQUYXFE-UHFFFAOYSA-N 1 0 235.243 1.237 20 5 BDBDRO C[C@H]1CC(C[NH2+]CC[N+](=O)[O-])C[C@H](C)C1 ZINC000899891805 584248765 /nfs/dbraw/zinc/24/87/65/584248765.db2.gz LVJJIJSABQZYSK-NXEZZACHSA-N 1 0 214.309 1.925 20 5 BDBDRO C[NH+](C)CCCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000837924769 587903558 /nfs/dbraw/zinc/90/35/58/587903558.db2.gz IVJYIYNRCRGIPF-UHFFFAOYSA-N 1 0 246.307 1.317 20 5 BDBDRO C[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841061298 587941405 /nfs/dbraw/zinc/94/14/05/587941405.db2.gz XDAPVDMYMWHNRI-SSDOTTSWSA-N 1 0 243.694 1.685 20 5 BDBDRO C[C@H](COC(=O)C[C@H](C)n1ccnc1)[N+](=O)[O-] ZINC000845577045 588233950 /nfs/dbraw/zinc/23/39/50/588233950.db2.gz QZSWKPBNJDMWII-DTWKUNHWSA-N 1 0 241.247 1.043 20 5 BDBDRO C[NH2+][C@@H](C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000848631243 588403196 /nfs/dbraw/zinc/40/31/96/588403196.db2.gz YLEUSRNQBGWJQS-YFKPBYRVSA-N 1 0 238.203 1.518 20 5 BDBDRO CC(C)[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])[NH+](C)C ZINC000851128073 588592985 /nfs/dbraw/zinc/59/29/85/588592985.db2.gz HLNZGGWWGNTGSL-VIFPVBQESA-N 1 0 246.307 1.171 20 5 BDBDRO CN(Cn1cc([N+](=O)[O-])cn1)[C@H]1CCSC1 ZINC000124962419 590106726 /nfs/dbraw/zinc/10/67/26/590106726.db2.gz JRUWKSFMZHXHQP-QMMMGPOBSA-N 1 0 242.304 1.186 20 5 BDBDRO Cn1cc(C[N@@H+]2CC[C@H](CF)C2)c([N+](=O)[O-])n1 ZINC000880301677 590998070 /nfs/dbraw/zinc/99/80/70/590998070.db2.gz WRCXCCRWEUWYMZ-MRVPVSSYSA-N 1 0 242.254 1.120 20 5 BDBDRO C[C@H]([NH3+])c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000124268699 592717452 /nfs/dbraw/zinc/71/74/52/592717452.db2.gz KBUDXHKFAFOACR-QMMMGPOBSA-N 1 0 247.258 1.254 20 5 BDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000310238336 635445067 /nfs/dbraw/zinc/44/50/67/635445067.db2.gz BFDWUVMAGOINCD-MRVPVSSYSA-N 1 0 237.259 1.014 20 5 BDBDRO CSC[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000308299565 631274054 /nfs/dbraw/zinc/27/40/54/631274054.db2.gz JPQWTRBMNASNPK-QMMMGPOBSA-N 1 0 204.295 1.091 20 5 BDBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[NH2+]2)cc1 ZINC000236418836 632783574 /nfs/dbraw/zinc/78/35/74/632783574.db2.gz YMLVBPOJNANFJW-LLVKDONJSA-N 1 0 235.287 1.436 20 5 BDBDRO C[C@H](CCNc1c([N+](=O)[O-])cnn1C)[NH+](C)C ZINC000894521054 635902997 /nfs/dbraw/zinc/90/29/97/635902997.db2.gz JLSUSSRJLOIVLU-MRVPVSSYSA-N 1 0 241.295 1.080 20 5 BDBDRO CCCN(CC[N+](=O)[O-])CC[NH+]1CCCC1 ZINC000930457138 633828359 /nfs/dbraw/zinc/82/83/59/633828359.db2.gz ZFEBTZJIZMSTBY-UHFFFAOYSA-N 1 0 229.324 1.071 20 5 BDBDRO C[C@H]1CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000309784559 634007750 /nfs/dbraw/zinc/00/77/50/634007750.db2.gz NRFXADZKMBKWIB-WPRPVWTQSA-N 1 0 224.264 1.179 20 5 BDBDRO C[NH2+][C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000054053213 635340193 /nfs/dbraw/zinc/34/01/93/635340193.db2.gz GZDNOCWJJMZWLD-ZETCQYMHSA-N 1 0 248.242 1.925 20 5 BDBDRO CN(CC[NH3+])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000054419134 636635663 /nfs/dbraw/zinc/63/56/63/636635663.db2.gz HBRDHGDOWZHENV-UHFFFAOYSA-N 1 0 227.239 1.124 20 5 BDBDRO Cc1c(CN(C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000054419292 636635738 /nfs/dbraw/zinc/63/57/38/636635738.db2.gz YNXZNHMGGHIVMM-UHFFFAOYSA-N 1 0 223.276 1.294 20 5 BDBDRO [NH3+]C1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000904450959 637417841 /nfs/dbraw/zinc/41/78/41/637417841.db2.gz UZOTVVXDENHXHV-UHFFFAOYSA-N 1 0 227.289 1.237 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCOc1cccc(Cl)c1 ZINC000905045320 637564991 /nfs/dbraw/zinc/56/49/91/637564991.db2.gz HXXPAEROWWGFCR-UHFFFAOYSA-N 1 0 244.678 1.585 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1cccs1 ZINC000905116641 637622829 /nfs/dbraw/zinc/62/28/29/637622829.db2.gz HUAATRKAHPYCQK-UHFFFAOYSA-N 1 0 228.317 1.892 20 5 BDBDRO Cc1cccc([C@H](C)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905133716 637644131 /nfs/dbraw/zinc/64/41/31/637644131.db2.gz RQIKOSNZXYDJRG-LLVKDONJSA-N 1 0 222.288 1.965 20 5 BDBDRO CCc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905133162 637644704 /nfs/dbraw/zinc/64/47/04/637644704.db2.gz PQTSEBVURJKCOS-UHFFFAOYSA-N 1 0 208.261 1.615 20 5 BDBDRO C[C@@H](O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905147164 637656021 /nfs/dbraw/zinc/65/60/21/637656021.db2.gz JKNOYRSDFNMBJA-SECBINFHSA-N 1 0 224.260 1.106 20 5 BDBDRO CC(C)CSCC[NH2+]CC[N+](=O)[O-] ZINC000905190736 637670587 /nfs/dbraw/zinc/67/05/87/637670587.db2.gz YQXRTFMGOWWTSK-UHFFFAOYSA-N 1 0 206.311 1.242 20 5 BDBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]CC[N+](=O)[O-] ZINC000905178575 637684260 /nfs/dbraw/zinc/68/42/60/637684260.db2.gz XFJSCYYMGBBYTE-SECBINFHSA-N 1 0 224.260 1.190 20 5 BDBDRO Cc1cccc(C)c1CC[NH2+]CC[N+](=O)[O-] ZINC000905176972 637684308 /nfs/dbraw/zinc/68/43/08/637684308.db2.gz UYSBPZPBUXNHCH-UHFFFAOYSA-N 1 0 222.288 1.712 20 5 BDBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905201356 637693870 /nfs/dbraw/zinc/69/38/70/637693870.db2.gz IFKPGTSKYXVXON-RYUDHWBXSA-N 1 0 244.335 1.837 20 5 BDBDRO CCC(CC)[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905201354 637694281 /nfs/dbraw/zinc/69/42/81/637694281.db2.gz IFKPGTSKYXVXON-NEPJUHHUSA-N 1 0 244.335 1.837 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccccc1-n1ccnc1 ZINC000905203791 637696413 /nfs/dbraw/zinc/69/64/13/637696413.db2.gz XOVCTVHDBRSDSQ-UHFFFAOYSA-N 1 0 246.270 1.239 20 5 BDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])c1nccs1 ZINC000905210507 637697658 /nfs/dbraw/zinc/69/76/58/637697658.db2.gz WHSMJNPVRYOEPL-SSDOTTSWSA-N 1 0 215.278 1.113 20 5 BDBDRO CC[C@H](CC(F)(F)F)[NH2+]CC[N+](=O)[O-] ZINC000905215196 637700205 /nfs/dbraw/zinc/70/02/05/637700205.db2.gz ZLXWZSDQGAROAN-ZCFIWIBFSA-N 1 0 214.187 1.584 20 5 BDBDRO Cc1cnc([C@H](C)C[NH2+]CC[N+](=O)[O-])s1 ZINC000905214742 637700376 /nfs/dbraw/zinc/70/03/76/637700376.db2.gz VTIJXEYAVDQQOA-SSDOTTSWSA-N 1 0 229.305 1.421 20 5 BDBDRO Cc1cscc1C[NH2+]CC[N+](=O)[O-] ZINC000905238638 637723971 /nfs/dbraw/zinc/72/39/71/637723971.db2.gz SZFCNBIFTWNWSL-UHFFFAOYSA-N 1 0 200.263 1.423 20 5 BDBDRO CO[C@@H](C[NH2+]CC[N+](=O)[O-])Cc1ccccc1 ZINC000905271356 637730212 /nfs/dbraw/zinc/73/02/12/637730212.db2.gz BLIUADKUOADZKV-GFCCVEGCSA-N 1 0 238.287 1.110 20 5 BDBDRO C[C@@H]1Cc2cc(C[NH2+]CC[N+](=O)[O-])ccc2O1 ZINC000905566429 637848508 /nfs/dbraw/zinc/84/85/08/637848508.db2.gz WCSRNCLJVHAZHF-SECBINFHSA-N 1 0 236.271 1.376 20 5 BDBDRO C[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CCS1 ZINC000905608489 637853517 /nfs/dbraw/zinc/85/35/17/637853517.db2.gz MUYVLKFXKLFJRJ-SFYZADRCSA-N 1 0 204.295 1.137 20 5 BDBDRO C[C@@H](O)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000905642261 637880291 /nfs/dbraw/zinc/88/02/91/637880291.db2.gz GRNRSFHXICJAFB-NXEZZACHSA-N 1 0 238.287 1.669 20 5 BDBDRO O=[N+]([O-])CC[N@H+](CC1CC1)CC1CCC1 ZINC000930299384 639690958 /nfs/dbraw/zinc/69/09/58/639690958.db2.gz YIGCFTTZCMKWFU-UHFFFAOYSA-N 1 0 212.293 1.775 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000930347900 639718999 /nfs/dbraw/zinc/71/89/99/639718999.db2.gz MDRXSVMADQVCDL-LLVKDONJSA-N 1 0 236.271 1.247 20 5 BDBDRO C[N@@H+]1CC[C@H](NCC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000930356921 639726955 /nfs/dbraw/zinc/72/69/55/639726955.db2.gz LJBNILKZKVULEA-QWHCGFSZSA-N 1 0 249.314 1.298 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000930745155 639891757 /nfs/dbraw/zinc/89/17/57/639891757.db2.gz RNKRUELDGSOQHW-JTQLQIEISA-N 1 0 230.333 1.481 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000930810010 639912524 /nfs/dbraw/zinc/91/25/24/639912524.db2.gz FEOMQZSVCQIYLM-QWRGUYRKSA-N 1 0 228.292 1.154 20 5 BDBDRO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CCc2ccccc21 ZINC000930856886 639950781 /nfs/dbraw/zinc/95/07/81/639950781.db2.gz LKDQVVPZSBCYTO-LLVKDONJSA-N 1 0 234.299 1.925 20 5 BDBDRO CC(C)OC(=O)C[C@H]([NH2+]CC[N+](=O)[O-])C(C)C ZINC000930890402 639972610 /nfs/dbraw/zinc/97/26/10/639972610.db2.gz PIEPOVJRSNTJIK-JTQLQIEISA-N 1 0 246.307 1.219 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C1(CO)CCCCCCC1 ZINC000931537519 640263900 /nfs/dbraw/zinc/26/39/00/640263900.db2.gz ZPRFRJOVHPXCGZ-UHFFFAOYSA-N 1 0 230.308 1.328 20 5 BDBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000932489765 640554879 /nfs/dbraw/zinc/55/48/79/640554879.db2.gz SEBMWZZIQQVCGO-PSASIEDQSA-N 1 0 237.259 1.114 20 5 BDBDRO O=[N+]([O-])CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929717926 641418325 /nfs/dbraw/zinc/41/83/25/641418325.db2.gz ATQATACHLWLYCU-LBPRGKRZSA-N 1 0 241.335 1.071 20 5 BDBDRO CC(C)[N@H+](CC1CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000915207946 641809758 /nfs/dbraw/zinc/80/97/58/641809758.db2.gz JLKWOYBIIPREKE-UHFFFAOYSA-N 1 0 238.291 1.869 20 5 BDBDRO CN(c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071311605 643122667 /nfs/dbraw/zinc/12/26/67/643122667.db2.gz MOBHUSUBZXLGJD-SECBINFHSA-N 1 0 239.250 1.532 20 5 BDBDRO Cc1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000090322936 643205913 /nfs/dbraw/zinc/20/59/13/643205913.db2.gz SMXCTJFJBCSRBU-GHMZBOCLSA-N 1 0 247.298 1.559 20 5 BDBDRO CCN(CC[NH3+])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000305973740 644161194 /nfs/dbraw/zinc/16/11/94/644161194.db2.gz KCTPENXMWJZXDS-UHFFFAOYSA-N 1 0 241.266 1.515 20 5 BDBDRO CC1(C)CN(c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000084531856 644426486 /nfs/dbraw/zinc/42/64/86/644426486.db2.gz RNNTYMCZIYRPSG-UHFFFAOYSA-N 1 0 235.287 1.783 20 5 BDBDRO C[C@H]1CN(c2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086471143 644465999 /nfs/dbraw/zinc/46/59/99/644465999.db2.gz OXVFHNUVJBSUOD-UWVGGRQHSA-N 1 0 235.287 1.781 20 5 BDBDRO CC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773225 644727597 /nfs/dbraw/zinc/72/75/97/644727597.db2.gz CQCJXSPTHJJNDX-SECBINFHSA-N 1 0 242.250 1.594 20 5 BDBDRO Cc1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930189499 645917658 /nfs/dbraw/zinc/91/76/58/645917658.db2.gz WRGGWTLOUFEYBI-JTQLQIEISA-N 1 0 208.261 1.922 20 5 BDBDRO C[C@@H]1CCC[C@H]([N@H+](C)CC[N+](=O)[O-])C1 ZINC000929274028 646032630 /nfs/dbraw/zinc/03/26/30/646032630.db2.gz PQDOWASVIDJYDK-ZJUUUORDSA-N 1 0 200.282 1.774 20 5 BDBDRO COCC[N@H+](CC[N+](=O)[O-])C1CCCC1 ZINC000929330944 646086032 /nfs/dbraw/zinc/08/60/32/646086032.db2.gz GEQLTNJAWGFIEH-UHFFFAOYSA-N 1 0 216.281 1.154 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000929430217 646117051 /nfs/dbraw/zinc/11/70/51/646117051.db2.gz YOYUPMIJDGFJIS-UHFFFAOYSA-N 1 0 242.319 1.687 20 5 BDBDRO CCO[C@@H]1C[C@H]([N@H+](C)CC[N+](=O)[O-])C12CCC2 ZINC000929841791 646354684 /nfs/dbraw/zinc/35/46/84/646354684.db2.gz PHWIUSASHWFCTB-WDEREUQCSA-N 1 0 242.319 1.543 20 5 BDBDRO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000929891779 646368810 /nfs/dbraw/zinc/36/88/10/646368810.db2.gz RLVUSQNFAQVKSG-GFCCVEGCSA-N 1 0 236.271 1.806 20 5 BDBDRO CC(C)[N@H+](CC[N+](=O)[O-])C1CCOCC1 ZINC000929995086 646386730 /nfs/dbraw/zinc/38/67/30/646386730.db2.gz YMZOPUAGDZZEHU-UHFFFAOYSA-N 1 0 216.281 1.153 20 5 BDBDRO CC(C)(C)C1=CC[N@H+](CC[N+](=O)[O-])CC1 ZINC000930103108 646435742 /nfs/dbraw/zinc/43/57/42/646435742.db2.gz SXWHFICJVOMOHS-UHFFFAOYSA-N 1 0 212.293 1.941 20 5 BDBDRO COc1ccc([C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930190563 646484465 /nfs/dbraw/zinc/48/44/65/646484465.db2.gz PBZZCSXBFATUTG-SECBINFHSA-N 1 0 224.260 1.623 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC23CC(O)C3)c1 ZINC000724932528 711630286 /nfs/dbraw/zinc/63/02/86/711630286.db2.gz WWFSJWYDWIRORI-CPCZMJQVSA-N 1 0 248.282 1.598 20 5 BDBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000712596167 712436172 /nfs/dbraw/zinc/43/61/72/712436172.db2.gz UJSDJODLEPFTRT-SECBINFHSA-N 1 0 236.275 1.496 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)[NH3+] ZINC000037608269 712676081 /nfs/dbraw/zinc/67/60/81/712676081.db2.gz QHRKNNFAKCCQLQ-MRVPVSSYSA-N 1 0 237.259 1.579 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23C[C@H]2COC3)cc1 ZINC000717985428 712735188 /nfs/dbraw/zinc/73/51/88/712735188.db2.gz DPJHQHKDLUGFSC-JQWIXIFHSA-N 1 0 234.255 1.473 20 5 BDBDRO C[C@@H]1[C@H](Nc2ncccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719580365 712812595 /nfs/dbraw/zinc/81/25/95/712812595.db2.gz RKNNVJLPBIWBPU-RKDXNWHRSA-N 1 0 236.275 1.494 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)cc1 ZINC000720946613 712881306 /nfs/dbraw/zinc/88/13/06/712881306.db2.gz IDCAHSLAAQCHFC-UMSPYCQHSA-N 1 0 236.271 1.455 20 5 BDBDRO C[C@H](OCC[N+](C)(C)C)c1ncccn1 ZINC001224771376 964934581 /nfs/dbraw/zinc/93/45/81/964934581.db2.gz LLOHVSGTABDZBH-JTQLQIEISA-N 1 0 210.301 1.260 20 5 BDBDRO CCC1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)COC1 ZINC001168971375 969323911 /nfs/dbraw/zinc/32/39/11/969323911.db2.gz JWZORCIGEOVMOG-GHMZBOCLSA-N 1 0 242.319 1.448 20 5 BDBDRO COC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006605 969328419 /nfs/dbraw/zinc/32/84/19/969328419.db2.gz IPKUAAWSQHHJSZ-GHMZBOCLSA-N 1 0 242.319 1.543 20 5 BDBDRO C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009662 969333151 /nfs/dbraw/zinc/33/31/51/969333151.db2.gz 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C[C@H](C[N+](C)(C)C)Oc1cnc(C2CC2)nc1 ZINC001230750906 977325753 /nfs/dbraw/zinc/32/57/53/977325753.db2.gz MGJPQUDXPGMWMA-SNVBAGLBSA-N 1 0 236.339 1.828 20 5 BDBDRO C[C@@](O)(CC[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001335985228 977404251 /nfs/dbraw/zinc/40/42/51/977404251.db2.gz BHYZEMGGLWSLRT-GFCCVEGCSA-N 1 0 238.287 1.151 20 5 BDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2C=CCC2)c1 ZINC001336771328 977942518 /nfs/dbraw/zinc/94/25/18/977942518.db2.gz RANDUCRKWQIXMX-AAEUAGOBSA-N 1 0 248.282 1.936 20 5 BDBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH+]3CCC2CC3)ccn1 ZINC001233858683 978714891 /nfs/dbraw/zinc/71/48/91/978714891.db2.gz ZBGFPLWCNGPCKK-LLVKDONJSA-N 1 0 249.270 1.463 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1CC(=O)N2 ZINC001234114274 978779700 /nfs/dbraw/zinc/77/97/00/978779700.db2.gz DPKUVPJIHCACOJ-SNVBAGLBSA-O 1 0 249.334 1.655 20 5 BDBDRO CCOc1nccc(O[C@H](C)C[N+](C)(C)C)n1 ZINC001234437131 978836660 /nfs/dbraw/zinc/83/66/60/978836660.db2.gz DMBJLDOFQSHDNN-SNVBAGLBSA-N 1 0 240.327 1.349 20 5 BDBDRO C[C@H](NC(=O)[C@H]1CC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001342590201 979836162 /nfs/dbraw/zinc/83/61/62/979836162.db2.gz LMAJGQBOUADJER-GZMMTYOYSA-N 1 0 249.270 1.134 20 5 BDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC001346149544 980768900 /nfs/dbraw/zinc/76/89/00/980768900.db2.gz BBDRBAGOCHWDGN-MRVPVSSYSA-N 1 0 212.224 1.753 20 5 BDBDRO O=[N+]([O-])c1cccc(F)c1SC1C[NH2+]C1 ZINC001580875923 981663055 /nfs/dbraw/zinc/66/30/55/981663055.db2.gz URGTWEAZCKTMOZ-UHFFFAOYSA-N 1 0 228.248 1.798 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC001351184475 982228022 /nfs/dbraw/zinc/22/80/22/982228022.db2.gz XCGJNZKZKPFVQY-LLVKDONJSA-N 1 0 228.292 1.154 20 5 BDBDRO Nc1c[nH+]cn1-c1cc(O)cc([N+](=O)[O-])c1 ZINC001199815070 983023304 /nfs/dbraw/zinc/02/33/04/983023304.db2.gz SJJSDHCUSWRNKR-UHFFFAOYSA-N 1 0 220.188 1.068 20 5 BDBDRO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CC(C)(C)C1 ZINC001354590519 983326706 /nfs/dbraw/zinc/32/67/06/983326706.db2.gz HLPAYYQXPNLXAW-VIFPVBQESA-N 1 0 200.282 1.631 20 5 BDBDRO CC[C@H](N)C[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246972686 988798733 /nfs/dbraw/zinc/79/87/33/988798733.db2.gz DUZDAPGGGPYKOA-GARJFASQSA-N 1 0 229.324 1.101 20 5 BDBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cc[nH+]cc1 ZINC001248747058 989141671 /nfs/dbraw/zinc/14/16/71/989141671.db2.gz SNVSEKQXZBOONK-UHFFFAOYSA-N 1 0 230.227 1.859 20 5 BDBDRO Cc1[nH+]cn(-c2cc([N+](=O)[O-])cnc2C)c1N ZINC001249544161 989299377 /nfs/dbraw/zinc/29/93/77/989299377.db2.gz BDDAJTVIQUHXBT-UHFFFAOYSA-N 1 0 233.231 1.375 20 5 BDBDRO C[NH2+][C@H](C)CCNCc1csc([N+](=O)[O-])c1 ZINC001326077101 989365972 /nfs/dbraw/zinc/36/59/72/989365972.db2.gz VGORZUYEWLWCOO-MRVPVSSYSA-N 1 0 243.332 1.744 20 5 BDBDRO C[C@@H]1CCSCC[N@@H+]1CC[N+](=O)[O-] ZINC001119765676 989389506 /nfs/dbraw/zinc/38/95/06/989389506.db2.gz KIWWISJPPZOOQS-MRVPVSSYSA-N 1 0 204.295 1.091 20 5 BDBDRO Cc1csc(CCC[NH2+]CC[N+](=O)[O-])n1 ZINC001120377171 989646901 /nfs/dbraw/zinc/64/69/01/989646901.db2.gz QDMHDOGRXYCUHV-UHFFFAOYSA-N 1 0 229.305 1.250 20 5 BDBDRO C[NH2+][C@@H](C)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001122511081 990403690 /nfs/dbraw/zinc/40/36/90/990403690.db2.gz FCVRLMNESCNMDP-QMMMGPOBSA-N 1 0 237.259 1.450 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC(n3ccnc3)C2)cn1 ZINC001559130717 991039582 /nfs/dbraw/zinc/03/95/82/991039582.db2.gz SJUYTUNDMBBOGB-UHFFFAOYSA-N 1 0 245.242 1.248 20 5 BDBDRO C[C@@H](NC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000576218756 365525347 /nfs/dbraw/zinc/52/53/47/365525347.db2.gz NUQXAGIEMSCULG-MRVPVSSYSA-N 1 0 221.260 1.217 20 5 BDBDRO Cc1cc(N[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000052093720 178182303 /nfs/dbraw/zinc/18/23/03/178182303.db2.gz KGNIDPUMQIQBAZ-SNVBAGLBSA-N 1 0 221.260 1.677 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC([NH+](C)C)C1 ZINC000273283029 178271550 /nfs/dbraw/zinc/27/15/50/178271550.db2.gz JGPBEXLTWTYUBB-UHFFFAOYSA-N 1 0 235.287 1.653 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2cccn2)cc1 ZINC000042351693 361983051 /nfs/dbraw/zinc/98/30/51/361983051.db2.gz CUQMISNRTUGBHK-UHFFFAOYSA-N 1 0 246.270 1.581 20 5 BDBDRO Cn1cc(C[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602469639 342925363 /nfs/dbraw/zinc/92/53/63/342925363.db2.gz UYHJFBICEMTPBO-UHFFFAOYSA-N 1 0 238.291 1.560 20 5 BDBDRO C[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472359 342935700 /nfs/dbraw/zinc/93/57/00/342935700.db2.gz VTNTYCRHHJXEAF-ZCFIWIBFSA-N 1 0 216.262 1.127 20 5 BDBDRO C[NH2+]C[C@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000168337581 136267687 /nfs/dbraw/zinc/26/76/87/136267687.db2.gz YNNVYPRWGVVCSP-QMMMGPOBSA-N 1 0 224.264 1.257 20 5 BDBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)nc1 ZINC000048322162 343242373 /nfs/dbraw/zinc/24/23/73/343242373.db2.gz GOEVQXBKWLMVEU-UHFFFAOYSA-N 1 0 236.275 1.498 20 5 BDBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cn1 ZINC000049558507 343602403 /nfs/dbraw/zinc/60/24/03/343602403.db2.gz MSVRRVLTGIEPEH-VIFPVBQESA-N 1 0 238.291 1.742 20 5 BDBDRO C[C@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000049558512 343602731 /nfs/dbraw/zinc/60/27/31/343602731.db2.gz CKIIXYLODCDHEO-MRVPVSSYSA-N 1 0 239.279 1.137 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC[NH+](C)C)c1 ZINC000088726736 344241697 /nfs/dbraw/zinc/24/16/97/344241697.db2.gz QHNXSVRDHALCKO-UHFFFAOYSA-N 1 0 237.303 1.901 20 5 BDBDRO Cc1ccc(CN2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000092454886 345620325 /nfs/dbraw/zinc/62/03/25/345620325.db2.gz SYDYSVHDPYGDFD-NSHDSACASA-N 1 0 249.314 1.697 20 5 BDBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000054128174 187360140 /nfs/dbraw/zinc/36/01/40/187360140.db2.gz WYOMJDXBVZHSHA-UHFFFAOYSA-N 1 0 238.291 1.742 20 5 BDBDRO Cc1ccc(OC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000061701639 345840693 /nfs/dbraw/zinc/84/06/93/345840693.db2.gz YBIFYKGBTWDVNE-SNVBAGLBSA-N 1 0 236.271 1.892 20 5 BDBDRO C[C@@H]([NH3+])CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000591581503 347678674 /nfs/dbraw/zinc/67/86/74/347678674.db2.gz ZFRVFDYOWDPSIJ-RNCFNFMXSA-N 1 0 249.314 1.909 20 5 BDBDRO O=[N+]([O-])c1c[nH]c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000592356994 347772887 /nfs/dbraw/zinc/77/28/87/347772887.db2.gz PGRJFAOSJCFMOP-ZETCQYMHSA-N 1 0 249.230 1.397 20 5 BDBDRO CC1([NH3+])CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000592431629 347778709 /nfs/dbraw/zinc/77/87/09/347778709.db2.gz RJGXQKWHMCQMNW-UHFFFAOYSA-N 1 0 249.314 1.908 20 5 BDBDRO CN(Cc1cccc([N+](=O)[O-])c1)CC(C)(C)[NH3+] ZINC000592430685 347785835 /nfs/dbraw/zinc/78/58/35/347785835.db2.gz ANOXJCGGGYXHJD-UHFFFAOYSA-N 1 0 237.303 1.764 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C/C=C/CO ZINC000595071632 348188638 /nfs/dbraw/zinc/18/86/38/348188638.db2.gz POZBBLOBZZAZCP-YYRQZUAOSA-N 1 0 248.282 1.720 20 5 BDBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000595765602 348334285 /nfs/dbraw/zinc/33/42/85/348334285.db2.gz LVMIWPWBABEQCF-SNVBAGLBSA-N 1 0 238.291 1.570 20 5 BDBDRO COc1cccc([N+](=O)[O-])c1N[C@H](C)[C@H](C)[NH3+] ZINC000596013586 348430089 /nfs/dbraw/zinc/43/00/89/348430089.db2.gz IEDXCCPMNDQDAO-JGVFFNPUSA-N 1 0 239.275 1.751 20 5 BDBDRO COc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@@H](C)[NH3+] ZINC000596013587 348430149 /nfs/dbraw/zinc/43/01/49/348430149.db2.gz IEDXCCPMNDQDAO-SFYZADRCSA-N 1 0 239.275 1.751 20 5 BDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1nccn1C ZINC000596542694 348583742 /nfs/dbraw/zinc/58/37/42/348583742.db2.gz OLPDLLCCNUJVKW-MRVPVSSYSA-N 1 0 247.258 1.896 20 5 BDBDRO C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1nccn1C ZINC000596543205 348584325 /nfs/dbraw/zinc/58/43/25/348584325.db2.gz NTKQQPHKNHWJEE-QMMMGPOBSA-N 1 0 247.258 1.896 20 5 BDBDRO C[NH2+]C1(CNc2cccnc2[N+](=O)[O-])CCC1 ZINC000598633467 349005459 /nfs/dbraw/zinc/00/54/59/349005459.db2.gz OFIYBPQQMLNGTH-UHFFFAOYSA-N 1 0 236.275 1.544 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1COC1 ZINC000599010661 349075670 /nfs/dbraw/zinc/07/56/70/349075670.db2.gz UHWQJFJIQSAGMH-UHFFFAOYSA-N 1 0 236.271 1.639 20 5 BDBDRO C[C@@H]([NH2+]CC1COC1)c1ccc([N+](=O)[O-])cc1 ZINC000599085312 349089572 /nfs/dbraw/zinc/08/95/72/349089572.db2.gz PHVVSZWZROGWRN-SECBINFHSA-N 1 0 236.271 1.892 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1COC1 ZINC000599080774 349095951 /nfs/dbraw/zinc/09/59/51/349095951.db2.gz KBQOIBHPKBPHIR-LBPRGKRZSA-N 1 0 248.282 1.818 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[NH+](C2CC2)C2CC2)c1 ZINC000599600465 349231927 /nfs/dbraw/zinc/23/19/27/349231927.db2.gz UODUDQSRUYYUFC-UHFFFAOYSA-N 1 0 236.275 1.418 20 5 BDBDRO Cc1ccnc(NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000070495980 191003950 /nfs/dbraw/zinc/00/39/50/191003950.db2.gz WZWMRZSVNAFGHP-SECBINFHSA-N 1 0 238.291 1.660 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)[NH+](C)C ZINC000331088701 180176653 /nfs/dbraw/zinc/17/66/53/180176653.db2.gz SGANLKSUWDZPHQ-SSDOTTSWSA-N 1 0 212.253 1.050 20 5 BDBDRO Cc1nn(C[C@@H](C)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000330870395 180391001 /nfs/dbraw/zinc/39/10/01/180391001.db2.gz FRUJFFBSZZWJQI-SSDOTTSWSA-N 1 0 226.280 1.358 20 5 BDBDRO CC1(C)CC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000563368501 350825364 /nfs/dbraw/zinc/82/53/64/350825364.db2.gz WQDYHWXJYNIYTM-VIFPVBQESA-N 1 0 238.291 1.570 20 5 BDBDRO CC[C@H](NC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000577620180 366020159 /nfs/dbraw/zinc/02/01/59/366020159.db2.gz OGXCNSNTRWVYBZ-LBPRGKRZSA-N 1 0 235.287 1.607 20 5 BDBDRO CNc1ccc(Nc2ccc([N+](=O)[O-])nc2)cn1 ZINC000344441328 351127174 /nfs/dbraw/zinc/12/71/74/351127174.db2.gz WCTSUZAUADYHTP-UHFFFAOYSA-N 1 0 245.242 1.592 20 5 BDBDRO Cc1cnc(N(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692615 188049748 /nfs/dbraw/zinc/04/97/48/188049748.db2.gz XIJPYNLLEUQMCV-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO C[C@@H]([NH3+])CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420362392 192222037 /nfs/dbraw/zinc/22/20/37/192222037.db2.gz OCMIKWIWQCYZAE-SNVBAGLBSA-N 1 0 249.314 1.906 20 5 BDBDRO C[C@@H](CNc1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000037985892 356457334 /nfs/dbraw/zinc/45/73/34/356457334.db2.gz ZXMQZXIYETXCMU-QMMMGPOBSA-N 1 0 224.264 1.352 20 5 BDBDRO C[C@H]1CC[NH2+]C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422949401 192523906 /nfs/dbraw/zinc/52/39/06/192523906.db2.gz UBAPSJIBMMPPFF-CMPLNLGQSA-N 1 0 249.314 1.682 20 5 BDBDRO CN(Cc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000385099298 356898211 /nfs/dbraw/zinc/89/82/11/356898211.db2.gz ZIZXRWNDTIQSTA-UHFFFAOYSA-N 1 0 235.287 1.516 20 5 BDBDRO C[C@@H]1CN(c2ccncc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000053711739 357157594 /nfs/dbraw/zinc/15/75/94/357157594.db2.gz DXVCZISFVDVGBP-DTORHVGOSA-N 1 0 236.275 1.176 20 5 BDBDRO C[C@H]([NH3+])Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000583691865 357120236 /nfs/dbraw/zinc/12/02/36/357120236.db2.gz RWBISZOFMUHJBR-VIFPVBQESA-N 1 0 246.270 1.806 20 5 BDBDRO Cc1c([C@H](C)NC2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000579341909 366761901 /nfs/dbraw/zinc/76/19/01/366761901.db2.gz FEUZEISMKSZXIS-VIFPVBQESA-N 1 0 235.287 1.526 20 5 BDBDRO [NH3+]C1(CNCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000342138636 181332747 /nfs/dbraw/zinc/33/27/47/181332747.db2.gz SAQBEGFTTCQFAH-UHFFFAOYSA-N 1 0 235.287 1.566 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCC[NH3+] ZINC000037029643 361593052 /nfs/dbraw/zinc/59/30/52/361593052.db2.gz YDVVIOVBMZXLDA-UHFFFAOYSA-N 1 0 237.259 1.581 20 5 BDBDRO [NH3+]CCCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037714519 181377210 /nfs/dbraw/zinc/37/72/10/181377210.db2.gz AARJAIKSNZNXST-UHFFFAOYSA-N 1 0 237.259 1.064 20 5 BDBDRO CC[C@H]([NH3+])CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000111303848 368854170 /nfs/dbraw/zinc/85/41/70/368854170.db2.gz VOPDDFXJGKMKFF-QMMMGPOBSA-N 1 0 237.259 1.062 20 5 BDBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CO1 ZINC000401952631 369375074 /nfs/dbraw/zinc/37/50/74/369375074.db2.gz VVUCSGPXUWRNEQ-KOLCDFICSA-N 1 0 236.271 1.862 20 5 BDBDRO C[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000111302106 370125672 /nfs/dbraw/zinc/12/56/72/370125672.db2.gz QMHPRPSBIYCCMB-ZETCQYMHSA-N 1 0 238.247 1.064 20 5 BDBDRO C[C@H](O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000078781235 370600525 /nfs/dbraw/zinc/60/05/25/370600525.db2.gz NDYDYBHPCDYOKF-VIFPVBQESA-N 1 0 224.260 1.455 20 5 BDBDRO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000097092787 181654128 /nfs/dbraw/zinc/65/41/28/181654128.db2.gz FWNJZVKQTIHQCT-BDAKNGLRSA-N 1 0 249.270 1.661 20 5 BDBDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000600677275 371694932 /nfs/dbraw/zinc/69/49/32/371694932.db2.gz DCFNPBRZFLVLOR-NWDGAFQWSA-N 1 0 249.314 1.825 20 5 BDBDRO CC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602429140 371804254 /nfs/dbraw/zinc/80/42/54/371804254.db2.gz MDGXWXOFCYUBGC-UHFFFAOYSA-N 1 0 238.291 1.560 20 5 BDBDRO C[C@@H](C1CC1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441995 371804991 /nfs/dbraw/zinc/80/49/91/371804991.db2.gz IGGLEHRWMGEYQM-QMMMGPOBSA-N 1 0 238.291 1.559 20 5 BDBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[NH2+]C1 ZINC000040434943 373264054 /nfs/dbraw/zinc/26/40/54/373264054.db2.gz GPTYBMLDZAGZBX-SECBINFHSA-N 1 0 236.275 1.401 20 5 BDBDRO CC(C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676092 373592014 /nfs/dbraw/zinc/59/20/14/373592014.db2.gz ZGIFPSLWGUGQOH-UHFFFAOYSA-N 1 0 238.287 1.498 20 5 BDBDRO O=[N+]([O-])c1cc(F)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000051872427 182924430 /nfs/dbraw/zinc/92/44/30/182924430.db2.gz DYTRSPBZVWWEJC-SECBINFHSA-N 1 0 240.234 1.865 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000132469412 182933352 /nfs/dbraw/zinc/93/33/52/182933352.db2.gz WKCVQPBIDLVDSA-ZJUUUORDSA-N 1 0 248.286 1.321 20 5 BDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCCCC2)n1 ZINC000176188509 182954723 /nfs/dbraw/zinc/95/47/23/182954723.db2.gz MOTGRNUEKUKJRP-UHFFFAOYSA-N 1 0 224.264 1.277 20 5 BDBDRO CCC[NH+](CCC)Cc1c([N+](=O)[O-])ncn1C ZINC000355800237 169149686 /nfs/dbraw/zinc/14/96/86/169149686.db2.gz KIDXEYMTCCYLOK-UHFFFAOYSA-N 1 0 240.307 1.950 20 5 BDBDRO CN(CC[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000288611257 383928643 /nfs/dbraw/zinc/92/86/43/383928643.db2.gz ZLPMUHCCUKIAKV-UHFFFAOYSA-N 1 0 241.266 1.732 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000050228168 383975936 /nfs/dbraw/zinc/97/59/36/383975936.db2.gz CXLVAPSRQHFRAD-SECBINFHSA-N 1 0 249.270 1.076 20 5 BDBDRO Cc1ccc(C[N@@H+](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000289389622 384091892 /nfs/dbraw/zinc/09/18/92/384091892.db2.gz DRVUDVSTBOSHJH-SNVBAGLBSA-N 1 0 238.287 1.716 20 5 BDBDRO Cc1cnc(NCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000090691979 384067035 /nfs/dbraw/zinc/06/70/35/384067035.db2.gz WFVJJXWOQFXMOR-UHFFFAOYSA-N 1 0 238.291 1.662 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235390856 384379523 /nfs/dbraw/zinc/37/95/23/384379523.db2.gz COCJGJGMXGLZNN-ZJUUUORDSA-N 1 0 235.287 1.687 20 5 BDBDRO CC(C)[C@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000134695337 384387138 /nfs/dbraw/zinc/38/71/38/384387138.db2.gz KNHBYWUNTNICQJ-GFCCVEGCSA-N 1 0 238.287 1.701 20 5 BDBDRO Cn1nccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000047892337 384471176 /nfs/dbraw/zinc/47/11/76/384471176.db2.gz AXJJQKGERLQPJE-UHFFFAOYSA-N 1 0 246.270 1.618 20 5 BDBDRO CC[NH+](CC)CCn1cccc([N+](=O)[O-])c1=O ZINC000181319887 384998460 /nfs/dbraw/zinc/99/84/60/384998460.db2.gz MSORCQPTMPDSJH-UHFFFAOYSA-N 1 0 239.275 1.098 20 5 BDBDRO COC[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726152 385121967 /nfs/dbraw/zinc/12/19/67/385121967.db2.gz RGIHGQMMFQYCPU-JTQLQIEISA-N 1 0 238.287 1.762 20 5 BDBDRO Cc1cnc(N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000085426990 385173886 /nfs/dbraw/zinc/17/38/86/385173886.db2.gz XNNAEXKODWZQDK-MRVPVSSYSA-N 1 0 222.248 1.072 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[C@H]2CCC[NH2+]C2)c1 ZINC000051919952 385291156 /nfs/dbraw/zinc/29/11/56/385291156.db2.gz BUSCQMMFQGWLPZ-SECBINFHSA-N 1 0 224.264 1.181 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000052093792 385656468 /nfs/dbraw/zinc/65/64/68/385656468.db2.gz UTDMYZOBYODSRJ-SSDOTTSWSA-N 1 0 225.223 1.508 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CC2)cc1 ZINC000120343896 385704348 /nfs/dbraw/zinc/70/43/48/385704348.db2.gz BSINXEHXTQGYMW-UHFFFAOYSA-N 1 0 222.244 1.209 20 5 BDBDRO CCN(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000051634384 385869192 /nfs/dbraw/zinc/86/91/92/385869192.db2.gz OFALZKMJJJLWJE-UHFFFAOYSA-N 1 0 237.303 1.636 20 5 BDBDRO CN(CC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000054417728 386128206 /nfs/dbraw/zinc/12/82/06/386128206.db2.gz IDYRMURILSOVIZ-UHFFFAOYSA-N 1 0 238.247 1.017 20 5 BDBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000294778822 386527770 /nfs/dbraw/zinc/52/77/70/386527770.db2.gz GPRYNZBIBRLIJH-PHIMTYICSA-N 1 0 236.271 1.516 20 5 BDBDRO Cc1cc[nH+]c(NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000269084938 386760339 /nfs/dbraw/zinc/76/03/39/386760339.db2.gz HGROMOMMWSDAGX-UHFFFAOYSA-N 1 0 247.258 1.607 20 5 BDBDRO C[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035115417 387043997 /nfs/dbraw/zinc/04/39/97/387043997.db2.gz NHQNKNHXBZGXPA-RKDXNWHRSA-N 1 0 224.260 1.626 20 5 BDBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000237634325 387048177 /nfs/dbraw/zinc/04/81/77/387048177.db2.gz LIZSLIUQCUORSH-MRVPVSSYSA-N 1 0 237.259 1.014 20 5 BDBDRO Cc1ccc(CN(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000414782944 387026104 /nfs/dbraw/zinc/02/61/04/387026104.db2.gz YDBYAJYGLYOUAM-UHFFFAOYSA-N 1 0 249.314 1.825 20 5 BDBDRO O=[N+]([O-])c1cc(CNC2CC[NH2+]CC2)cs1 ZINC000414784382 387028919 /nfs/dbraw/zinc/02/89/19/387028919.db2.gz HXFTVURRGZYKRU-UHFFFAOYSA-N 1 0 241.316 1.498 20 5 BDBDRO O=[N+]([O-])c1cccnc1NCC[C@@H]1CC[NH2+]C1 ZINC000110797926 387069036 /nfs/dbraw/zinc/06/90/36/387069036.db2.gz RPLPOQXGUARJDU-VIFPVBQESA-N 1 0 236.275 1.401 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C[NH3+])C1CC1 ZINC000414804834 387131256 /nfs/dbraw/zinc/13/12/56/387131256.db2.gz PCXLFASGAYRJOU-ZDUSSCGKSA-N 1 0 249.314 1.730 20 5 BDBDRO CC[C@@H](N[C@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423319278 387159784 /nfs/dbraw/zinc/15/97/84/387159784.db2.gz DYXDMJBXWCLASM-BXKDBHETSA-N 1 0 237.303 1.983 20 5 BDBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CO)cc1[N+](=O)[O-] ZINC000035602293 387374229 /nfs/dbraw/zinc/37/42/29/387374229.db2.gz OSFXOTKADJIUEH-NXEZZACHSA-N 1 0 238.287 1.935 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)n1 ZINC000169032476 387379917 /nfs/dbraw/zinc/37/99/17/387379917.db2.gz AISSXSZRAYWTKP-VIFPVBQESA-N 1 0 238.291 1.660 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C[NH3+] ZINC000347111424 387450766 /nfs/dbraw/zinc/45/07/66/387450766.db2.gz QFXOZTDOCPARFK-ZDUSSCGKSA-N 1 0 249.314 1.826 20 5 BDBDRO Cc1ccc(CN[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414866517 387569951 /nfs/dbraw/zinc/56/99/51/387569951.db2.gz FISUDWYPZJOKEU-LLVKDONJSA-N 1 0 235.287 1.355 20 5 BDBDRO O=[N+]([O-])c1cccc(CN[C@@H]2CCCC[NH2+]C2)c1 ZINC000415066549 387691489 /nfs/dbraw/zinc/69/14/89/387691489.db2.gz JGQRIBWTECHMEU-GFCCVEGCSA-N 1 0 249.314 1.827 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]CCCCCO)cs1 ZINC000192907720 387865971 /nfs/dbraw/zinc/86/59/71/387865971.db2.gz CZJUQVGFZXYOLL-UHFFFAOYSA-N 1 0 244.316 1.909 20 5 BDBDRO C[C@@H]([NH2+]CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000037177140 388191636 /nfs/dbraw/zinc/19/16/36/388191636.db2.gz RBWDUWKAGHFJAN-SECBINFHSA-N 1 0 224.260 1.628 20 5 BDBDRO C[C@H]([NH2+]CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176691 388191658 /nfs/dbraw/zinc/19/16/58/388191658.db2.gz XTYDJTRRXZPPCT-JTQLQIEISA-N 1 0 237.303 1.807 20 5 BDBDRO C[C@@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])s1 ZINC000226775317 388355575 /nfs/dbraw/zinc/35/55/75/388355575.db2.gz KJXGPXVVUHQAKN-LURJTMIESA-N 1 0 230.293 1.413 20 5 BDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000174860311 388443686 /nfs/dbraw/zinc/44/36/86/388443686.db2.gz PLSOBSOHYFODBM-UHFFFAOYSA-N 1 0 238.291 1.523 20 5 BDBDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CO1 ZINC000401826768 388610555 /nfs/dbraw/zinc/61/05/55/388610555.db2.gz BPIYOBACCNWVEX-GXSJLCMTSA-N 1 0 236.271 1.862 20 5 BDBDRO Cc1c(NC(=O)[C@@H]2C[C@@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000424078545 388694064 /nfs/dbraw/zinc/69/40/64/388694064.db2.gz PZALWTQBYWUEHD-SFYZADRCSA-N 1 0 235.243 1.189 20 5 BDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC000375307500 388717898 /nfs/dbraw/zinc/71/78/98/388717898.db2.gz GXWIBQYOEGGDPC-GFCCVEGCSA-N 1 0 248.282 1.552 20 5 BDBDRO O=[N+]([O-])c1cn(CC[NH+]2CCCCC2)cn1 ZINC000299252179 388725241 /nfs/dbraw/zinc/72/52/41/388725241.db2.gz HCNNQZYKEIMBLN-UHFFFAOYSA-N 1 0 224.264 1.277 20 5 BDBDRO C[C@](C[NH3+])(NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000430565057 388728072 /nfs/dbraw/zinc/72/80/72/388728072.db2.gz DRKUPYNAVZCMPJ-CYBMUJFWSA-N 1 0 249.314 1.812 20 5 BDBDRO C[C@@](C[NH3+])(NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000430565058 388728567 /nfs/dbraw/zinc/72/85/67/388728567.db2.gz DRKUPYNAVZCMPJ-ZDUSSCGKSA-N 1 0 249.314 1.812 20 5 BDBDRO CC(C)(O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000274736023 388732730 /nfs/dbraw/zinc/73/27/30/388732730.db2.gz IPLRXZMOERGGKM-UHFFFAOYSA-N 1 0 244.316 1.907 20 5 BDBDRO C[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332718081 388797830 /nfs/dbraw/zinc/79/78/30/388797830.db2.gz NBABRUOJEUQDEP-SECBINFHSA-N 1 0 236.271 1.334 20 5 BDBDRO C[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282448224 388816309 /nfs/dbraw/zinc/81/63/09/388816309.db2.gz LQKFOZROQIELOZ-SNVBAGLBSA-N 1 0 238.287 1.450 20 5 BDBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251574478 132232167 /nfs/dbraw/zinc/23/21/67/132232167.db2.gz CCYXJOMRQZORCE-NXEZZACHSA-N 1 0 235.287 1.768 20 5 BDBDRO Cc1cc(N2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000052783388 132300558 /nfs/dbraw/zinc/30/05/58/132300558.db2.gz ONKNTTRKLUBFGK-JTQLQIEISA-N 1 0 235.287 1.701 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC[NH+](C)C)n1 ZINC000178244087 134305521 /nfs/dbraw/zinc/30/55/21/134305521.db2.gz RWEDOCKNIUQDFC-UHFFFAOYSA-N 1 0 238.291 1.296 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH3+])C2)c1 ZINC000087151059 135107904 /nfs/dbraw/zinc/10/79/04/135107904.db2.gz VCFBWIDWNIAVLK-SECBINFHSA-N 1 0 221.260 1.441 20 5 BDBDRO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261552497 135108597 /nfs/dbraw/zinc/10/85/97/135108597.db2.gz MXWMJVYAVBKWGF-VXNVDRBHSA-N 1 0 239.250 1.517 20 5 BDBDRO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000261533416 135165079 /nfs/dbraw/zinc/16/50/79/135165079.db2.gz IHLFKLXDSCDIOQ-IONNQARKSA-N 1 0 241.316 1.435 20 5 BDBDRO Cc1cccc(N2C[C@@H](C)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000261540163 135179306 /nfs/dbraw/zinc/17/93/06/135179306.db2.gz FELLPLWGPMHJDW-NXEZZACHSA-N 1 0 235.287 1.687 20 5 BDBDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000261544026 135185670 /nfs/dbraw/zinc/18/56/70/135185670.db2.gz DMWLLYBPUNNEGI-BXKDBHETSA-N 1 0 235.287 1.516 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000261552780 135191989 /nfs/dbraw/zinc/19/19/89/135191989.db2.gz NKEZVQBYNCYEAU-UWVGGRQHSA-N 1 0 235.287 1.829 20 5 BDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000261575564 135216859 /nfs/dbraw/zinc/21/68/59/135216859.db2.gz NFQZTXWILMKARG-SCZZXKLOSA-N 1 0 249.270 1.157 20 5 BDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]12 ZINC000261581889 135222384 /nfs/dbraw/zinc/22/23/84/135222384.db2.gz QWKFTJGDHQQFIS-KXUCPTDWSA-N 1 0 248.286 1.163 20 5 BDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH2+]CC1 ZINC000261663384 135243654 /nfs/dbraw/zinc/24/36/54/135243654.db2.gz GJBKEOMHOZZLLI-UHFFFAOYSA-N 1 0 239.250 1.139 20 5 BDBDRO Cc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261990399 135269671 /nfs/dbraw/zinc/26/96/71/135269671.db2.gz KEFYUAFMCBYSKY-PWSUYJOCSA-N 1 0 249.314 1.682 20 5 BDBDRO O=[N+]([O-])c1ccccc1CCNC1=[NH+]CCCN1 ZINC000262624701 135309281 /nfs/dbraw/zinc/30/92/81/135309281.db2.gz DERZFYJJHOPTFQ-UHFFFAOYSA-N 1 0 248.286 1.076 20 5 BDBDRO CCC1CC([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000342714473 135313586 /nfs/dbraw/zinc/31/35/86/135313586.db2.gz VMQHIBSDHSSPIL-UHFFFAOYSA-N 1 0 238.291 1.570 20 5 BDBDRO C[C@H]([NH3+])C[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000566229939 397861699 /nfs/dbraw/zinc/86/16/99/397861699.db2.gz VDIBGWKYQOIBQO-YUMQZZPRSA-N 1 0 243.332 1.872 20 5 BDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000086466617 411405785 /nfs/dbraw/zinc/40/57/85/411405785.db2.gz DDTIGYXZXOLBTF-QWRGUYRKSA-N 1 0 249.314 1.777 20 5 BDBDRO CC[C@@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000082687154 171185112 /nfs/dbraw/zinc/18/51/12/171185112.db2.gz FPEIRLCWRCYUMZ-SNVBAGLBSA-N 1 0 244.316 1.907 20 5 BDBDRO C[NH2+]C[C@@H](C)CNc1ncc([N+](=O)[O-])cc1C ZINC000129543206 173364340 /nfs/dbraw/zinc/36/43/40/173364340.db2.gz OEYUXCLQUWRFHV-MRVPVSSYSA-N 1 0 238.291 1.566 20 5 BDBDRO C[NH2+]C[C@@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000133328607 173370072 /nfs/dbraw/zinc/37/00/72/173370072.db2.gz FCGNEDKYMIVSJL-VIFPVBQESA-N 1 0 236.275 1.178 20 5 BDBDRO C[NH2+][C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000149304662 173436556 /nfs/dbraw/zinc/43/65/56/173436556.db2.gz AUBRQCKIEPNENS-LLVKDONJSA-N 1 0 235.287 1.389 20 5 BDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000237461804 175709715 /nfs/dbraw/zinc/70/97/15/175709715.db2.gz DQOHVYFNGFYGCH-LURJTMIESA-N 1 0 243.288 1.076 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000066404927 176018846 /nfs/dbraw/zinc/01/88/46/176018846.db2.gz KUUIMCNLXAAFOO-NSHDSACASA-N 1 0 249.314 1.903 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH3+])C1 ZINC000224204860 176026934 /nfs/dbraw/zinc/02/69/34/176026934.db2.gz VUSMBSUIMURYPA-QWRGUYRKSA-N 1 0 249.314 1.936 20 5 BDBDRO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000088059102 176262843 /nfs/dbraw/zinc/26/28/43/176262843.db2.gz BAXIFVICKXFZGI-SECBINFHSA-N 1 0 249.270 1.029 20 5 BDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000340929674 176382332 /nfs/dbraw/zinc/38/23/32/176382332.db2.gz RTSMGQDBGYCPJR-BXKDBHETSA-N 1 0 236.271 1.550 20 5 BDBDRO [NH3+]CCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414668640 323151158 /nfs/dbraw/zinc/15/11/58/323151158.db2.gz ALYHDQGWQVKDMT-UHFFFAOYSA-N 1 0 249.314 1.908 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[C@@H]1CCC[NH2+]C1 ZINC000567809055 326260415 /nfs/dbraw/zinc/26/04/15/326260415.db2.gz HNODXCOEACRELP-JTQLQIEISA-N 1 0 238.291 1.489 20 5 BDBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000400550465 533925306 /nfs/dbraw/zinc/92/53/06/533925306.db2.gz XHXHWXMMNHXWHX-GWCFXTLKSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000495090282 533951627 /nfs/dbraw/zinc/95/16/27/533951627.db2.gz HSOOAMQQCLDYLZ-KKZNHRDASA-N 1 0 238.291 1.425 20 5 BDBDRO C[NH2+][C@@H](C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000261593441 536344850 /nfs/dbraw/zinc/34/48/50/536344850.db2.gz WVRLGYAKUXEHDN-ZETCQYMHSA-N 1 0 227.239 1.754 20 5 BDBDRO C[NH2+][C@@H](C)CNc1cccc(C)c1[N+](=O)[O-] ZINC000261575749 536344962 /nfs/dbraw/zinc/34/49/62/536344962.db2.gz JVFRDIJOFNMXSQ-VIFPVBQESA-N 1 0 223.276 1.923 20 5 BDBDRO C[NH2+]C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000261579294 536440363 /nfs/dbraw/zinc/44/03/63/536440363.db2.gz PKTVAIRBYWJERM-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO CC[C@H]1CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348389711 536099639 /nfs/dbraw/zinc/09/96/39/536099639.db2.gz HGPZVZDYNYVGDQ-GXSJLCMTSA-N 1 0 238.291 1.570 20 5 BDBDRO COc1cccc([N+](=O)[O-])c1N[C@@H](C)C[NH3+] ZINC000853015935 588715824 /nfs/dbraw/zinc/71/58/24/588715824.db2.gz HZGAYQLOPCDUDR-ZETCQYMHSA-N 1 0 225.248 1.363 20 5 BDBDRO C[N@@H+]1C[C@H]2CCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941709 583254877 /nfs/dbraw/zinc/25/48/77/583254877.db2.gz VORIBYADGCBUAV-ZWNOBZJWSA-N 1 0 247.298 1.735 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1COCO1 ZINC000894870194 583539794 /nfs/dbraw/zinc/53/97/94/583539794.db2.gz JDNGIJHSSPVXRO-SNVBAGLBSA-N 1 0 238.243 1.057 20 5 BDBDRO CN1CC[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000895771453 583725221 /nfs/dbraw/zinc/72/52/21/583725221.db2.gz ZPYUQLCMZUSYAC-SSDOTTSWSA-N 1 0 227.289 1.772 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(Cl)cc1 ZINC000899855245 584243445 /nfs/dbraw/zinc/24/34/45/584243445.db2.gz CUICXKHCZPSSJJ-UHFFFAOYSA-N 1 0 228.679 1.749 20 5 BDBDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]CC[N+](=O)[O-] ZINC000899871909 584244519 /nfs/dbraw/zinc/24/45/19/584244519.db2.gz VIJJCUKQKKTZSA-MNOVXSKESA-N 1 0 230.308 1.448 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc2occc2c1 ZINC000899892807 584248692 /nfs/dbraw/zinc/24/86/92/584248692.db2.gz YOGUWASFACJFRB-UHFFFAOYSA-N 1 0 220.228 1.799 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CNOC1 ZINC000904426743 584881532 /nfs/dbraw/zinc/88/15/32/584881532.db2.gz HBGLUAOMZWXCQY-MZBZXASESA-N 1 0 249.270 1.101 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CC2)cc1 ZINC000734163235 584959078 /nfs/dbraw/zinc/95/90/78/584959078.db2.gz DAYPCAIONPXRHH-LBPRGKRZSA-N 1 0 236.271 1.455 20 5 BDBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCF)CC2 ZINC000754217478 585280703 /nfs/dbraw/zinc/28/07/03/585280703.db2.gz WVFROCDSWGMYRA-UHFFFAOYSA-N 1 0 225.223 1.317 20 5 BDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC2)cc1 ZINC000776582005 585701388 /nfs/dbraw/zinc/70/13/88/585701388.db2.gz LKQWIDMNQPICBL-NSHDSACASA-N 1 0 222.244 1.334 20 5 BDBDRO C[C@@H](CCO)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000779415291 585754149 /nfs/dbraw/zinc/75/41/49/585754149.db2.gz KAYMQQQNUNXVGL-JTQLQIEISA-N 1 0 238.287 1.498 20 5 BDBDRO C[C@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562068 585926955 /nfs/dbraw/zinc/92/69/55/585926955.db2.gz IPKMLUAXCNABQG-HTQZYQBOSA-N 1 0 239.275 1.208 20 5 BDBDRO COc1ccc(CN(C)CC[N+](=O)[O-])cc1 ZINC000791053075 585972606 /nfs/dbraw/zinc/97/26/06/585972606.db2.gz HHYJSGXDYKSQJL-UHFFFAOYSA-N 1 0 224.260 1.404 20 5 BDBDRO Cc1cc(-c2noc(CC[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000843239184 588095324 /nfs/dbraw/zinc/09/53/24/588095324.db2.gz GMXIQHGQIZQGMF-UHFFFAOYSA-N 1 0 248.242 1.454 20 5 BDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)[NH3+])CC2 ZINC000843495840 588115278 /nfs/dbraw/zinc/11/52/78/588115278.db2.gz WQGNQCSOLGPWCS-QMMMGPOBSA-N 1 0 249.270 1.140 20 5 BDBDRO [NH2+]=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC1 ZINC000849015188 588436774 /nfs/dbraw/zinc/43/67/74/588436774.db2.gz XDECSNXHEVLTPK-UHFFFAOYSA-N 1 0 248.286 1.367 20 5 BDBDRO NC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000849086287 588452791 /nfs/dbraw/zinc/45/27/91/588452791.db2.gz HAFHFGWDKXJHNU-UHFFFAOYSA-N 1 0 228.639 1.231 20 5 BDBDRO C[C@@H]([NH3+])CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000863653836 589308023 /nfs/dbraw/zinc/30/80/23/589308023.db2.gz QOIIRHMWXQFKND-JPVGGKMYSA-N 1 0 249.314 1.887 20 5 BDBDRO O=[N+]([O-])c1cc(CN2CC=C[C@@H]2CO)cs1 ZINC000880484841 591059220 /nfs/dbraw/zinc/05/92/20/591059220.db2.gz BQZDPRHFINERHH-SECBINFHSA-N 1 0 240.284 1.389 20 5 BDBDRO Cc1cnc(NC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000133793383 591856822 /nfs/dbraw/zinc/85/68/22/591856822.db2.gz JZXPTRIIGCGWPU-VIFPVBQESA-N 1 0 236.275 1.320 20 5 BDBDRO COCC(C)(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000885983656 592121167 /nfs/dbraw/zinc/12/11/67/592121167.db2.gz LTDJEFIWRFUUIS-UHFFFAOYSA-N 1 0 239.275 1.504 20 5 BDBDRO CC1(C)CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000308646518 631464196 /nfs/dbraw/zinc/46/41/96/631464196.db2.gz HWUSUHHYIQJAIO-SECBINFHSA-N 1 0 200.282 1.822 20 5 BDBDRO C[C@H]1C[NH+]=C(NCc2cccc([N+](=O)[O-])c2)N1 ZINC000310242923 632711582 /nfs/dbraw/zinc/71/15/82/632711582.db2.gz TZGFXNVRTAYZBR-QMMMGPOBSA-N 1 0 234.259 1.032 20 5 BDBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000309457399 633089433 /nfs/dbraw/zinc/08/94/33/633089433.db2.gz STPOYBIQFXNMIJ-LURJTMIESA-N 1 0 243.288 1.076 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H](CCO)C1CCCCC1 ZINC000309601873 633209106 /nfs/dbraw/zinc/20/91/06/633209106.db2.gz WUSNMBQZZHYLFF-NSHDSACASA-N 1 0 230.308 1.184 20 5 BDBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CC[N+](=O)[O-] ZINC000930692931 634036970 /nfs/dbraw/zinc/03/69/70/634036970.db2.gz OASNDPODACZNJJ-ZJUUUORDSA-N 1 0 200.282 1.822 20 5 BDBDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)CC[N+](=O)[O-] ZINC000930702128 634050889 /nfs/dbraw/zinc/05/08/89/634050889.db2.gz JYISCSNCCDZHJG-SNVBAGLBSA-N 1 0 240.278 1.965 20 5 BDBDRO Cc1ccccc1CC[NH2+]CC[N+](=O)[O-] ZINC000905024178 637575383 /nfs/dbraw/zinc/57/53/83/637575383.db2.gz JMGSHUWRJHCWLW-UHFFFAOYSA-N 1 0 208.261 1.404 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000905079509 637579828 /nfs/dbraw/zinc/57/98/28/637579828.db2.gz JRTVUBFLIWOWDT-LLVKDONJSA-N 1 0 236.271 1.767 20 5 BDBDRO CCOc1ccccc1CC[NH2+]CC[N+](=O)[O-] ZINC000905090736 637589613 /nfs/dbraw/zinc/58/96/13/637589613.db2.gz YXYQJDZSJDHTKA-UHFFFAOYSA-N 1 0 238.287 1.494 20 5 BDBDRO C[C@@H]1Cc2ccccc2N1CC[NH2+]CC[N+](=O)[O-] ZINC000905069398 637602199 /nfs/dbraw/zinc/60/21/99/637602199.db2.gz CNJKHCJDLVVORZ-LLVKDONJSA-N 1 0 249.314 1.304 20 5 BDBDRO CCCC[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000905106198 637613151 /nfs/dbraw/zinc/61/31/51/637613151.db2.gz NUQGMSPSANHHET-UHFFFAOYSA-N 1 0 229.324 1.117 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(F)cc1F ZINC000905112095 637617349 /nfs/dbraw/zinc/61/73/49/637617349.db2.gz YDHIROXBBMFIKS-UHFFFAOYSA-N 1 0 230.214 1.374 20 5 BDBDRO Cc1noc(C)c1CCC[NH2+]CC[N+](=O)[O-] ZINC000905159067 637638206 /nfs/dbraw/zinc/63/82/06/637638206.db2.gz JCMSMNKFSRCDSA-UHFFFAOYSA-N 1 0 227.264 1.090 20 5 BDBDRO O=[N+]([O-])CCNC1CC[NH+](C2CCCC2)CC1 ZINC000905156876 637638369 /nfs/dbraw/zinc/63/83/69/637638369.db2.gz WLYRLFCUIQXAOI-UHFFFAOYSA-N 1 0 241.335 1.260 20 5 BDBDRO CC(C)CC1(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905158795 637638871 /nfs/dbraw/zinc/63/88/71/637638871.db2.gz IPZHILSPXMJFFQ-UHFFFAOYSA-N 1 0 200.282 1.679 20 5 BDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])Cc1cccs1 ZINC000905132597 637644746 /nfs/dbraw/zinc/64/47/46/637644746.db2.gz BMBAKUMXKYHBPR-SECBINFHSA-N 1 0 228.317 1.793 20 5 BDBDRO CC1(C)CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905227697 637688292 /nfs/dbraw/zinc/68/82/92/637688292.db2.gz DZSYHHBHYDMFPN-VIFPVBQESA-N 1 0 200.282 1.822 20 5 BDBDRO Cc1nc2c(s1)[C@H]([NH2+]CC[N+](=O)[O-])CCC2 ZINC000905200690 637694478 /nfs/dbraw/zinc/69/44/78/637694478.db2.gz HMZGELHGACEDOA-MRVPVSSYSA-N 1 0 241.316 1.695 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000905245444 637705673 /nfs/dbraw/zinc/70/56/73/637705673.db2.gz DWKFPZCXHMQXGV-MRVPVSSYSA-N 1 0 222.235 1.678 20 5 BDBDRO C[C@H]1Oc2ccccc2[C@@H]1NCC[N+](=O)[O-] ZINC000905260887 637715659 /nfs/dbraw/zinc/71/56/59/637715659.db2.gz OVNNOWWMLWTLME-LDYMZIIASA-N 1 0 222.244 1.375 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1COc2ccccc21 ZINC000905262288 637716183 /nfs/dbraw/zinc/71/61/83/637716183.db2.gz ULEANTXLXVNJGL-VIFPVBQESA-N 1 0 222.244 1.029 20 5 BDBDRO C[C@]1(C[NH2+]CC[N+](=O)[O-])CC1(Cl)Cl ZINC000905271885 637729346 /nfs/dbraw/zinc/72/93/46/637729346.db2.gz DZNWQKLRLSZXCL-ZCFIWIBFSA-N 1 0 227.091 1.437 20 5 BDBDRO CSC1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905236677 637722305 /nfs/dbraw/zinc/72/23/05/637722305.db2.gz FJSOUNIGYVNCHD-UHFFFAOYSA-N 1 0 204.295 1.138 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc2ncccc2c1 ZINC000905241781 637724201 /nfs/dbraw/zinc/72/42/01/637724201.db2.gz GHSYCTXEODUMBX-UHFFFAOYSA-N 1 0 231.255 1.601 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000905359752 637779072 /nfs/dbraw/zinc/77/90/72/637779072.db2.gz WINASCUWDYQPDS-GFCCVEGCSA-N 1 0 238.287 1.019 20 5 BDBDRO CCC(F)(F)C(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905385118 637784708 /nfs/dbraw/zinc/78/47/08/637784708.db2.gz OSPVNWXPWFULRY-UHFFFAOYSA-N 1 0 224.251 1.924 20 5 BDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000905363839 637788231 /nfs/dbraw/zinc/78/82/31/637788231.db2.gz GXKDTLQVAFYFFQ-GZMMTYOYSA-N 1 0 242.250 1.114 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1(CCO)CCCCC1 ZINC000905366014 637789405 /nfs/dbraw/zinc/78/94/05/637789405.db2.gz RXKNHUJPHLDAJJ-UHFFFAOYSA-N 1 0 230.308 1.186 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCSCCC(F)(F)F ZINC000905405532 637796538 /nfs/dbraw/zinc/79/65/38/637796538.db2.gz TWIMFHHCXAHVQX-UHFFFAOYSA-N 1 0 246.254 1.538 20 5 BDBDRO Cc1scc(C[NH2+]CC[N+](=O)[O-])c1C ZINC000905402429 637797389 /nfs/dbraw/zinc/79/73/89/637797389.db2.gz YSWJSHJAKVVJRC-UHFFFAOYSA-N 1 0 214.290 1.731 20 5 BDBDRO CN1Cc2ccccc2[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905407512 637798388 /nfs/dbraw/zinc/79/83/88/637798388.db2.gz BRIZTVXECJJOGH-GFCCVEGCSA-N 1 0 235.287 1.039 20 5 BDBDRO CC1(C[NH2+]CC[N+](=O)[O-])CC(F)(F)C1 ZINC000905421932 637807115 /nfs/dbraw/zinc/80/71/15/637807115.db2.gz DSCMTIJOISXTGW-UHFFFAOYSA-N 1 0 208.208 1.288 20 5 BDBDRO CC1(C)CCC[C@@H](C[NH2+]CC[N+](=O)[O-])O1 ZINC000905683710 637889418 /nfs/dbraw/zinc/88/94/18/637889418.db2.gz QYLAKKLSGRFMCD-VIFPVBQESA-N 1 0 216.281 1.200 20 5 BDBDRO CCCC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000906528986 638193069 /nfs/dbraw/zinc/19/30/69/638193069.db2.gz AAVQPBWAQWDLOA-UHFFFAOYSA-N 1 0 212.253 1.181 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000930331826 639711541 /nfs/dbraw/zinc/71/15/41/639711541.db2.gz ALWRETODTBUXOP-LLVKDONJSA-N 1 0 240.690 1.674 20 5 BDBDRO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000930612485 639821247 /nfs/dbraw/zinc/82/12/47/639821247.db2.gz QTYISKCVHWQHKZ-UTUOFQBUSA-N 1 0 242.319 1.279 20 5 BDBDRO C[C@H](CCCc1cccnc1)[NH2+]CC[N+](=O)[O-] ZINC000930696898 639865009 /nfs/dbraw/zinc/86/50/09/639865009.db2.gz VJOVVOFCWSEYKZ-LLVKDONJSA-N 1 0 237.303 1.659 20 5 BDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1CC1(C)C ZINC000930744586 639891459 /nfs/dbraw/zinc/89/14/59/639891459.db2.gz YEDGEUXSNIUAJY-BDAKNGLRSA-N 1 0 200.282 1.677 20 5 BDBDRO C[C@@H]1CC2(C[N@@H+]1CC[N+](=O)[O-])CCOCC2 ZINC000930823352 639924839 /nfs/dbraw/zinc/92/48/39/639924839.db2.gz ISPOCGHUOBUVSL-SNVBAGLBSA-N 1 0 228.292 1.154 20 5 BDBDRO C[C@H]1C[N@H+](CC[N+](=O)[O-])CCc2ccccc21 ZINC000930856887 639951682 /nfs/dbraw/zinc/95/16/82/639951682.db2.gz LKDQVVPZSBCYTO-NSHDSACASA-N 1 0 234.299 1.925 20 5 BDBDRO CC(C)([NH2+]CC[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000931505670 640239809 /nfs/dbraw/zinc/23/98/09/640239809.db2.gz WIWKUYPPJXCSCO-VIFPVBQESA-N 1 0 216.281 1.200 20 5 BDBDRO Cc1csc([C@H]2CCN(CC[N+](=O)[O-])C2)n1 ZINC000931614712 640290434 /nfs/dbraw/zinc/29/04/34/640290434.db2.gz BTBSFKGHTGKWJH-VIFPVBQESA-N 1 0 241.316 1.518 20 5 BDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1CCCOC1 ZINC000931701594 640324346 /nfs/dbraw/zinc/32/43/46/640324346.db2.gz WNGXFWJULFZCFN-VHSXEESVSA-N 1 0 216.281 1.058 20 5 BDBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000151211383 640341803 /nfs/dbraw/zinc/34/18/03/640341803.db2.gz SAHOZSJFXGXFCC-AOOOYVTPSA-N 1 0 236.275 1.481 20 5 BDBDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000229606763 640968720 /nfs/dbraw/zinc/96/87/20/640968720.db2.gz PMWFBSOALMWDCU-DTWKUNHWSA-N 1 0 236.275 1.542 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C1(C2CCCCC2)CC1 ZINC000934786979 641269822 /nfs/dbraw/zinc/26/98/22/641269822.db2.gz GCFRKQBFCJEJMP-UHFFFAOYSA-N 1 0 212.293 1.966 20 5 BDBDRO C[N@@H+]1CCCC[C@H]1CCn1ccnc1[N+](=O)[O-] ZINC000918342534 642185386 /nfs/dbraw/zinc/18/53/86/642185386.db2.gz DIGYRMBAUDSTDW-JTQLQIEISA-N 1 0 238.291 1.666 20 5 BDBDRO CC[C@H](C(=O)OCCC[N+](=O)[O-])[NH+](CC)CC ZINC000860921894 643357599 /nfs/dbraw/zinc/35/75/99/643357599.db2.gz ZQLVIOJAXUTFMP-SNVBAGLBSA-N 1 0 246.307 1.317 20 5 BDBDRO [NH3+]C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000050245180 643657620 /nfs/dbraw/zinc/65/76/20/643657620.db2.gz NACYYNRFEMCPOG-JTQLQIEISA-N 1 0 235.287 1.375 20 5 BDBDRO [NH3+][C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000050243867 643658040 /nfs/dbraw/zinc/65/80/40/643658040.db2.gz CKFWYWPPILLHMT-LLVKDONJSA-N 1 0 235.287 1.170 20 5 BDBDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000087129586 644480545 /nfs/dbraw/zinc/48/05/45/644480545.db2.gz QAXMMDQTKQKQNP-RKDXNWHRSA-N 1 0 224.260 1.454 20 5 BDBDRO [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000093214521 644681753 /nfs/dbraw/zinc/68/17/53/644681753.db2.gz BXFFISOIOKGPSW-NWDGAFQWSA-N 1 0 249.314 1.954 20 5 BDBDRO Cc1ccc(CN(C)CC[N+](=O)[O-])s1 ZINC000929501766 646154605 /nfs/dbraw/zinc/15/46/05/646154605.db2.gz YELWUWONWATSSZ-UHFFFAOYSA-N 1 0 214.290 1.765 20 5 BDBDRO CCS[C@H]1CC[C@H]([N@H+](C)CC[N+](=O)[O-])C1 ZINC000929749389 646279907 /nfs/dbraw/zinc/27/99/07/646279907.db2.gz KNQFJTJPOICINE-UWVGGRQHSA-N 1 0 232.349 1.869 20 5 BDBDRO CC[N@@H+]1CC[C@@H](N(C)CC[N+](=O)[O-])C[C@@H]1C ZINC000929782304 646308357 /nfs/dbraw/zinc/30/83/57/646308357.db2.gz UNOFHRHEJPMFDS-WDEREUQCSA-N 1 0 229.324 1.068 20 5 BDBDRO COc1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])cc1F ZINC000930185693 646481594 /nfs/dbraw/zinc/48/15/94/646481594.db2.gz KZORYFFKQULPRT-QMMMGPOBSA-N 1 0 242.250 1.762 20 5 BDBDRO CC[C@H](CSC)[N@H+](C)CC[N+](=O)[O-] ZINC000930179387 646481880 /nfs/dbraw/zinc/48/18/80/646481880.db2.gz KGTBWOMLGBPZOJ-MRVPVSSYSA-N 1 0 206.311 1.337 20 5 BDBDRO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000719572890 712811253 /nfs/dbraw/zinc/81/12/53/712811253.db2.gz VQFXNQKSMPPPBD-RQJHMYQMSA-N 1 0 242.304 1.556 20 5 BDBDRO C[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000160060021 711805590 /nfs/dbraw/zinc/80/55/90/711805590.db2.gz VBUYDXUZBCBYAK-MRVPVSSYSA-N 1 0 247.258 1.254 20 5 BDBDRO C[C@]12C[NH2+]C[C@H]1CN(c1ccc([N+](=O)[O-])cc1)C2 ZINC000703558028 712078551 /nfs/dbraw/zinc/07/85/51/712078551.db2.gz TYMCNMRVHRUCDO-GXFFZTMASA-N 1 0 247.298 1.641 20 5 BDBDRO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000712593417 712435231 /nfs/dbraw/zinc/43/52/31/712435231.db2.gz DOYASLFSTMXMJY-SECBINFHSA-N 1 0 222.248 1.106 20 5 BDBDRO C[C@H]([NH2+]C[C@@H]1CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000712537297 712442678 /nfs/dbraw/zinc/44/26/78/712442678.db2.gz XVQAQPMRIRGLTB-GWCFXTLKSA-N 1 0 249.314 1.950 20 5 BDBDRO Cc1c(C[NH2+]C[C@@H]2CCN2C)cccc1[N+](=O)[O-] ZINC000712577126 712448331 /nfs/dbraw/zinc/44/83/31/712448331.db2.gz DDBYCCUYZYPADY-LBPRGKRZSA-N 1 0 249.314 1.697 20 5 BDBDRO Cc1ccc(CN2C[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000714028684 712477343 /nfs/dbraw/zinc/47/73/43/712477343.db2.gz HPQGPWBCMOMWBG-JQWIXIFHSA-N 1 0 249.314 1.825 20 5 BDBDRO [NH3+]C[C@@H]1C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000715120296 712510510 /nfs/dbraw/zinc/51/05/10/712510510.db2.gz JYFDVXUYYZUHKJ-XVKPBYJWSA-N 1 0 235.243 1.128 20 5 BDBDRO Cc1c(-c2nc(CC[NH3+])no2)cccc1[N+](=O)[O-] ZINC000041201766 712719307 /nfs/dbraw/zinc/71/93/07/712719307.db2.gz MUWWKHCJONSFHI-UHFFFAOYSA-N 1 0 248.242 1.454 20 5 BDBDRO Cc1cc(-c2nc(CC[NH3+])no2)ccc1[N+](=O)[O-] ZINC000041201764 712719320 /nfs/dbraw/zinc/71/93/20/712719320.db2.gz APOHJCCUHSUYTG-UHFFFAOYSA-N 1 0 248.242 1.454 20 5 BDBDRO CCOC(=O)[C@@H](C)O[C@H](C)C[N+](C)(C)C ZINC001204600442 959194561 /nfs/dbraw/zinc/19/45/61/959194561.db2.gz YPGQJRXTOYGJBJ-NXEZZACHSA-N 1 0 218.317 1.049 20 5 BDBDRO Cc1nnc(CO[C@@H](C)C[N+](C)(C)C)s1 ZINC001223340609 961226777 /nfs/dbraw/zinc/22/67/77/961226777.db2.gz GKOSTZOTQHOHRC-QMMMGPOBSA-N 1 0 230.357 1.458 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)nc1F ZINC001228535220 963848579 /nfs/dbraw/zinc/84/85/79/963848579.db2.gz VENLZOSOIGMRLB-MRVPVSSYSA-N 1 0 231.266 1.833 20 5 BDBDRO CC[C@@H](CC(=O)OC)OCCC[N+](C)(C)C ZINC001224622522 964810010 /nfs/dbraw/zinc/81/00/10/964810010.db2.gz HFDUMVKJCDDFTN-NSHDSACASA-N 1 0 232.344 1.441 20 5 BDBDRO C[C@@H](OCC[N+](C)(C)C)c1ncccn1 ZINC001224771382 964935430 /nfs/dbraw/zinc/93/54/30/964935430.db2.gz LLOHVSGTABDZBH-SNVBAGLBSA-N 1 0 210.301 1.260 20 5 BDBDRO CC[C@@H]1OC(=O)C(OCC[N+](C)(C)C)=C1C ZINC001224775859 964938912 /nfs/dbraw/zinc/93/89/12/964938912.db2.gz QBOMDMMKLVEWPS-JTQLQIEISA-N 1 0 228.312 1.319 20 5 BDBDRO C[C@@H](C[NH+](C)C)Nc1cnc(F)c([N+](=O)[O-])c1 ZINC001163782735 965587888 /nfs/dbraw/zinc/58/78/88/965587888.db2.gz PMMXIZQAOLSOMQ-ZETCQYMHSA-N 1 0 242.254 1.491 20 5 BDBDRO O=C1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168978130 969297995 /nfs/dbraw/zinc/29/79/95/969297995.db2.gz OOUSUDRHKMJTNI-ONGXEEELSA-N 1 0 240.303 1.533 20 5 BDBDRO CC(=O)C(C)(C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168963184 969315452 /nfs/dbraw/zinc/31/54/52/969315452.db2.gz OMEKEQUHMRLZLH-ZJUUUORDSA-N 1 0 228.292 1.389 20 5 BDBDRO C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965340 969318075 /nfs/dbraw/zinc/31/80/75/969318075.db2.gz ZYQBAULCWVWCDB-VPOLOUISSA-N 1 0 228.292 1.199 20 5 BDBDRO CCCOCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168972408 969324626 /nfs/dbraw/zinc/32/46/26/969324626.db2.gz MURIXDWUEFNPIF-MNOVXSKESA-N 1 0 230.308 1.448 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001169006440 969329979 /nfs/dbraw/zinc/32/99/79/969329979.db2.gz IGJSCSPLEGIPQQ-GHMZBOCLSA-N 1 0 212.293 1.918 20 5 BDBDRO C[C@@H]1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H](C)O1 ZINC001169009668 969333135 /nfs/dbraw/zinc/33/31/35/969333135.db2.gz XCIULFPSKWZYKC-DDHJBXDOSA-N 1 0 242.319 1.541 20 5 BDBDRO CC1(O)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007730 969335574 /nfs/dbraw/zinc/33/55/74/969335574.db2.gz PVHADNRHOJBXOK-WDEREUQCSA-N 1 0 242.319 1.279 20 5 BDBDRO CCCC(O)(CCC)C[NH2+]CC[N+](=O)[O-] ZINC001338491185 978695515 /nfs/dbraw/zinc/69/55/15/978695515.db2.gz FVWUWHBDQFZQJF-UHFFFAOYSA-N 1 0 218.297 1.184 20 5 BDBDRO CC(C)OC(=O)CO[C@H](C)C[N+](C)(C)C ZINC001205886582 983081007 /nfs/dbraw/zinc/08/10/07/983081007.db2.gz DKCOLCJHZXQNSR-SNVBAGLBSA-N 1 0 218.317 1.049 20 5 BDBDRO CCCOC(=O)[C@H](C)OCCC[N+](C)(C)C ZINC001224620774 973802422 /nfs/dbraw/zinc/80/24/22/973802422.db2.gz BCLDBFRPHHWKJW-NSHDSACASA-N 1 0 232.344 1.441 20 5 BDBDRO C[N+](C)(C)CCCOC[C@H]1CCCCO1 ZINC001224623102 973804752 /nfs/dbraw/zinc/80/47/52/973804752.db2.gz LCXIFBPDBAISNA-GFCCVEGCSA-N 1 0 216.345 1.668 20 5 BDBDRO C[N+](C)(C)CCCO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001224624007 973808254 /nfs/dbraw/zinc/80/82/54/973808254.db2.gz SOLKDKIDKKHUIW-NSHDSACASA-N 1 0 231.316 1.155 20 5 BDBDRO CO[C@@H](C)CCOCCC[N+](C)(C)C ZINC001224624637 973809090 /nfs/dbraw/zinc/80/90/90/973809090.db2.gz YQVBSGSXTNKSMA-NSHDSACASA-N 1 0 204.334 1.524 20 5 BDBDRO COC(=O)CCCCCO[C@@H](C)C[N+](C)(C)C ZINC001224675559 973848384 /nfs/dbraw/zinc/84/83/84/973848384.db2.gz QVMPQROUYHYGGE-LBPRGKRZSA-N 1 0 246.371 1.831 20 5 BDBDRO Cc1[nH+]cn(-c2cc(F)cc([N+](=O)[O-])c2)c1N ZINC001216482327 971098845 /nfs/dbraw/zinc/09/88/45/971098845.db2.gz HLAJUKXXNBNFKV-UHFFFAOYSA-N 1 0 236.206 1.810 20 5 BDBDRO C[N+](C)(C)CCOC[C@H]1Cc2ccccc2O1 ZINC001224771866 973938447 /nfs/dbraw/zinc/93/84/47/973938447.db2.gz TVPASKCVPJKUOZ-CYBMUJFWSA-N 1 0 236.335 1.713 20 5 BDBDRO Cc1nn(C)cc1[C@H](C)OCC[N+](C)(C)C ZINC001224771673 973938650 /nfs/dbraw/zinc/93/86/50/973938650.db2.gz QPJVFSRPRGAHMR-NSHDSACASA-N 1 0 226.344 1.512 20 5 BDBDRO C[C@@H](OCC[N+](C)(C)C)c1nccs1 ZINC001224775197 973941215 /nfs/dbraw/zinc/94/12/15/973941215.db2.gz JTVYDPARQHXNEB-SECBINFHSA-N 1 0 215.342 1.927 20 5 BDBDRO [NH3+]Cc1ccn(-c2ncc(F)cc2[N+](=O)[O-])c1 ZINC001158765081 971444147 /nfs/dbraw/zinc/44/41/47/971444147.db2.gz ZPUYNLBFXSXHJQ-UHFFFAOYSA-N 1 0 236.206 1.378 20 5 BDBDRO O=[N+]([O-])C[C@@H](OC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001217879015 971474210 /nfs/dbraw/zinc/47/42/10/971474210.db2.gz LYMRMENABMOXBI-MWLCHTKSSA-N 1 0 228.292 1.058 20 5 BDBDRO Cc1cc(O[C@@H]2C[NH2+][C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC001218382643 971760982 /nfs/dbraw/zinc/76/09/82/971760982.db2.gz DBRFNZVVZHAWSY-MWLCHTKSSA-N 1 0 236.271 1.951 20 5 BDBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1C[NH2+][C@H]1C ZINC001218384438 971765231 /nfs/dbraw/zinc/76/52/31/971765231.db2.gz DFTSSBHZLXPPRC-CABZTGNLSA-N 1 0 236.271 1.951 20 5 BDBDRO C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CN1 ZINC001246085645 972141460 /nfs/dbraw/zinc/14/14/60/972141460.db2.gz RIYGNXKNVFCAAZ-QCNOEVLYSA-N 1 0 241.335 1.162 20 5 BDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000308656285 958421476 /nfs/dbraw/zinc/42/14/76/958421476.db2.gz OGDBVWQCVQCJRR-VIFPVBQESA-N 1 0 200.282 1.822 20 5 BDBDRO COc1ccc(-n2cccc2C[NH3+])nc1[N+](=O)[O-] ZINC001167582390 958946715 /nfs/dbraw/zinc/94/67/15/958946715.db2.gz ZZSSPQRQFSSAPG-UHFFFAOYSA-N 1 0 248.242 1.248 20 5 BDBDRO CN(c1ncccc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC000714242535 963636281 /nfs/dbraw/zinc/63/62/81/963636281.db2.gz 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C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCO ZINC001246915747 973458468 /nfs/dbraw/zinc/45/84/68/973458468.db2.gz XXNLPTFPXXEWOI-SNVBAGLBSA-N 1 0 238.287 1.450 20 5 BDBDRO CC1(C)COC(=O)[C@@H]1OCCC[N+](C)(C)C ZINC001224619815 973802281 /nfs/dbraw/zinc/80/22/81/973802281.db2.gz RJEOSJUWJASTKW-JTQLQIEISA-N 1 0 230.328 1.051 20 5 BDBDRO CCOC(=O)C1CC(OCC[N+](C)(C)C)C1 ZINC001224771000 973936302 /nfs/dbraw/zinc/93/63/02/973936302.db2.gz DSALEYXABYWGAG-UHFFFAOYSA-N 1 0 230.328 1.051 20 5 BDBDRO C[C@H](OCC[N+](C)(C)C)c1cncnc1 ZINC001224773206 973939426 /nfs/dbraw/zinc/93/94/26/973939426.db2.gz FPTQVOYBDMAZDM-JTQLQIEISA-N 1 0 210.301 1.260 20 5 BDBDRO CCCCOC[C@H](C)OCC[N+](C)(C)C ZINC001224776706 973940471 /nfs/dbraw/zinc/94/04/71/973940471.db2.gz YLLWOKYVESWMDH-LBPRGKRZSA-N 1 0 218.361 1.914 20 5 BDBDRO COC(=O)[C@@H]1CC[C@H](OCC[N+](C)(C)C)C1 ZINC001224775725 973943968 /nfs/dbraw/zinc/94/39/68/973943968.db2.gz NYWWKCFVJDIBDN-MNOVXSKESA-N 1 0 230.328 1.051 20 5 BDBDRO CCOC(=O)/C=C(\C)CO[C@H](C)C[N+](C)(C)C ZINC001224781613 973948908 /nfs/dbraw/zinc/94/89/08/973948908.db2.gz UELXYJBKQAGCOM-JATZPVMKSA-N 1 0 244.355 1.607 20 5 BDBDRO C[C@H](C[NH+](C)C)Oc1ncccc1[N+](=O)[O-] ZINC001225593800 974580531 /nfs/dbraw/zinc/58/05/31/974580531.db2.gz ZDDWFEPKJAFPIH-MRVPVSSYSA-N 1 0 225.248 1.319 20 5 BDBDRO Cc1ccnc(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001225631981 974607918 /nfs/dbraw/zinc/60/79/18/974607918.db2.gz ORWOKJRTEFQDSM-JTQLQIEISA-N 1 0 210.301 1.259 20 5 BDBDRO Cc1c[nH]c(=S)nc1O[C@H](C)C[N+](C)(C)C ZINC001225741038 974663433 /nfs/dbraw/zinc/66/34/33/974663433.db2.gz OEPWLLIXBLDWOX-SECBINFHSA-O 1 0 242.368 1.547 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2n[nH]nc21 ZINC001225991075 974754605 /nfs/dbraw/zinc/75/46/05/974754605.db2.gz SLJVZSQNYUBKEE-SECBINFHSA-N 1 0 235.311 1.431 20 5 BDBDRO C[N@@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226762870 975064097 /nfs/dbraw/zinc/06/40/97/975064097.db2.gz AKIDHFYFHGJBEM-LLVKDONJSA-N 1 0 222.244 1.678 20 5 BDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1(C[NH3+])CC1 ZINC001173229321 975072687 /nfs/dbraw/zinc/07/26/87/975072687.db2.gz MUDRFBGKULWMCI-SNVBAGLBSA-N 1 0 249.314 1.607 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)cccc1O ZINC001227031330 975226345 /nfs/dbraw/zinc/22/63/45/975226345.db2.gz KTFAQTCTCYXQMO-VIFPVBQESA-O 1 0 226.296 1.571 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1nc2cc[nH]cc-2n1 ZINC001227869813 975752499 /nfs/dbraw/zinc/75/24/99/975752499.db2.gz QKTSEXHBTQXNCL-SECBINFHSA-N 1 0 235.311 1.431 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2cc[nH]cc-2n1 ZINC001227869820 975753973 /nfs/dbraw/zinc/75/39/73/975753973.db2.gz QKTSEXHBTQXNCL-VIFPVBQESA-N 1 0 235.311 1.431 20 5 BDBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)nc(C)n1 ZINC001228143576 975943511 /nfs/dbraw/zinc/94/35/11/975943511.db2.gz JQSSNCBKAMPJDX-JTQLQIEISA-N 1 0 224.328 1.567 20 5 BDBDRO COc1ncc(F)c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001228470870 976232726 /nfs/dbraw/zinc/23/27/26/976232726.db2.gz PSTZEFWGKITJRE-MRVPVSSYSA-N 1 0 244.290 1.098 20 5 BDBDRO COc1ncc(F)c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001228470871 976235228 /nfs/dbraw/zinc/23/52/28/976235228.db2.gz PSTZEFWGKITJRE-QMMMGPOBSA-N 1 0 244.290 1.098 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CCC[NH2+]1)C2 ZINC001334040227 976237993 /nfs/dbraw/zinc/23/79/93/976237993.db2.gz JXIKAKBUAMDQOP-GFCCVEGCSA-N 1 0 247.298 1.662 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccnc(Cl)n1 ZINC001228952199 976603235 /nfs/dbraw/zinc/60/32/35/976603235.db2.gz TZKPBMYMMQLSNK-MRVPVSSYSA-N 1 0 230.719 1.604 20 5 BDBDRO CCC1(CC)[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC001334885261 976767190 /nfs/dbraw/zinc/76/71/90/976767190.db2.gz ZCXPZTPLNBSEHW-MXWKQRLJSA-N 1 0 244.335 1.692 20 5 BDBDRO CCc1nccc(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001234702955 978902089 /nfs/dbraw/zinc/90/20/89/978902089.db2.gz QYBGMHWNKNQJRJ-JTQLQIEISA-N 1 0 224.328 1.513 20 5 BDBDRO CCC1(CC)[C@H]([NH2+]CC[N+](=O)[O-])C[C@@H]1OC ZINC001341361859 979355128 /nfs/dbraw/zinc/35/51/28/979355128.db2.gz XGVBRULORGQXOZ-ZJUUUORDSA-N 1 0 230.308 1.446 20 5 BDBDRO Cc1cc(NC(=O)[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001342135424 979675503 /nfs/dbraw/zinc/67/55/03/979675503.db2.gz MMGFLYNXUSGSBD-NSHDSACASA-N 1 0 249.270 1.594 20 5 BDBDRO Cc1cc(NC(=O)CC[NH3+])cc([N+](=O)[O-])c1 ZINC001343777591 980236823 /nfs/dbraw/zinc/23/68/23/980236823.db2.gz SYOJPCDSLOHBDX-UHFFFAOYSA-N 1 0 223.232 1.191 20 5 BDBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC001345667444 980665864 /nfs/dbraw/zinc/66/58/64/980665864.db2.gz JUHFXZGMPOVTPD-JTQLQIEISA-N 1 0 244.291 1.069 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC001353331496 982838608 /nfs/dbraw/zinc/83/86/08/982838608.db2.gz WZGKEDHHRUUVBO-MNOVXSKESA-N 1 0 228.292 1.058 20 5 BDBDRO CC(C)OC(=O)CO[C@@H](C)C[N+](C)(C)C ZINC001205886581 983080099 /nfs/dbraw/zinc/08/00/99/983080099.db2.gz DKCOLCJHZXQNSR-JTQLQIEISA-N 1 0 218.317 1.049 20 5 BDBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000688052081 985539998 /nfs/dbraw/zinc/53/99/98/985539998.db2.gz ZOHURNPAEGWJJF-SKDRFNHKSA-N 1 0 236.271 1.719 20 5 BDBDRO [NH3+][C@H]1C[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001580431348 986851410 /nfs/dbraw/zinc/85/14/10/986851410.db2.gz HGCDWYOQVFFPOV-IZLXSQMJSA-N 1 0 243.213 1.775 20 5 BDBDRO O=[N+]([O-])c1cnn(C[C@@H]2CCCC[NH2+]C2)c1 ZINC000697000854 987343270 /nfs/dbraw/zinc/34/32/70/987343270.db2.gz QTDMPRASOVQSNL-SECBINFHSA-N 1 0 224.264 1.181 20 5 BDBDRO Cc1ncc([N+](=O)[O-])cc1Nc1c[nH+]cn1C ZINC001249545738 989306544 /nfs/dbraw/zinc/30/65/44/989306544.db2.gz ICAXFBJKEQGFDN-UHFFFAOYSA-N 1 0 233.231 1.775 20 5 BDBDRO C[C@H]1CCSCC[N@@H+]1CC[N+](=O)[O-] ZINC001119765677 989393119 /nfs/dbraw/zinc/39/31/19/989393119.db2.gz KIWWISJPPZOOQS-QMMMGPOBSA-N 1 0 204.295 1.091 20 5 BDBDRO Cc1cc(N2CC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000050244049 178118159 /nfs/dbraw/zinc/11/81/59/178118159.db2.gz IWVGOFMSSZXOCD-SECBINFHSA-N 1 0 221.260 1.441 20 5 BDBDRO Cc1cc(NC[C@@H]([NH3+])C2CC2)ncc1[N+](=O)[O-] ZINC000129294571 178165702 /nfs/dbraw/zinc/16/57/02/178165702.db2.gz LVSNNWNHCKGUNI-SECBINFHSA-N 1 0 236.275 1.447 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235326773 178274606 /nfs/dbraw/zinc/27/46/06/178274606.db2.gz KOIVJMAENFPMPW-SCZZXKLOSA-N 1 0 236.275 1.082 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1NCC[NH+](C)C ZINC000031539695 178272503 /nfs/dbraw/zinc/27/25/03/178272503.db2.gz JGMNERRWGOYTPR-UHFFFAOYSA-N 1 0 223.276 1.877 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[NH2+]C1 ZINC000071397594 178275079 /nfs/dbraw/zinc/27/50/79/178275079.db2.gz ACMJREDYTLCDHR-SECBINFHSA-N 1 0 236.275 1.462 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[NH2+]C1 ZINC000071397595 178275093 /nfs/dbraw/zinc/27/50/93/178275093.db2.gz ACMJREDYTLCDHR-VIFPVBQESA-N 1 0 236.275 1.462 20 5 BDBDRO CCC[N@H+](CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602429983 349534325 /nfs/dbraw/zinc/53/43/25/349534325.db2.gz GWXCXFKITKDTEM-UHFFFAOYSA-N 1 0 226.280 1.560 20 5 BDBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473414 349544101 /nfs/dbraw/zinc/54/41/01/349544101.db2.gz QWFINZBFSMRSRS-BDAKNGLRSA-N 1 0 238.291 1.559 20 5 BDBDRO Cc1nc(N(C)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124119632 398313760 /nfs/dbraw/zinc/31/37/60/398313760.db2.gz MRJNFLRTDSGLGP-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO C[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726278 346914599 /nfs/dbraw/zinc/91/45/99/346914599.db2.gz FBQNMSDOSZDYSL-VIFPVBQESA-N 1 0 224.260 1.108 20 5 BDBDRO COc1ccc(C[NH2+]C[C@H](C)O)cc1[N+](=O)[O-] ZINC000035604091 187258447 /nfs/dbraw/zinc/25/84/47/187258447.db2.gz YNFYMNUMMIELCL-QMMMGPOBSA-N 1 0 240.259 1.074 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC2)c(F)c1 ZINC000310215395 343393144 /nfs/dbraw/zinc/39/31/44/343393144.db2.gz VVHOMDDLYZJDIE-SECBINFHSA-N 1 0 240.234 1.612 20 5 BDBDRO C[C@H](CNCc1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000038087516 343942357 /nfs/dbraw/zinc/94/23/57/343942357.db2.gz PZVHSGQDKLHJOY-MRVPVSSYSA-N 1 0 243.332 1.696 20 5 BDBDRO C[C@H](CO)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000610369891 343950231 /nfs/dbraw/zinc/95/02/31/343950231.db2.gz OTIPQPLRADCLGA-JTQLQIEISA-N 1 0 238.287 1.655 20 5 BDBDRO Cc1ccc(NC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000084417583 344428311 /nfs/dbraw/zinc/42/83/11/344428311.db2.gz GZCPSMLYQJLTQX-UHFFFAOYSA-N 1 0 207.233 1.287 20 5 BDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000381388630 344500536 /nfs/dbraw/zinc/50/05/36/344500536.db2.gz RIDWOUGMWGLKGJ-JGVFFNPUSA-N 1 0 237.259 1.060 20 5 BDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC=CCC2)n1 ZINC000611517411 344747647 /nfs/dbraw/zinc/74/76/47/344747647.db2.gz ABWBINJPNSIPET-UHFFFAOYSA-N 1 0 222.248 1.053 20 5 BDBDRO CC(C)([NH3+])c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000070117726 345413330 /nfs/dbraw/zinc/41/33/30/345413330.db2.gz ZVRFDCPYYADIRH-UHFFFAOYSA-N 1 0 247.258 1.369 20 5 BDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCO ZINC000449218100 201838685 /nfs/dbraw/zinc/83/86/85/201838685.db2.gz FKLHECXWFKKCMD-VIFPVBQESA-N 1 0 224.260 1.108 20 5 BDBDRO Cc1ccc(OC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000061701640 345840839 /nfs/dbraw/zinc/84/08/39/345840839.db2.gz YBIFYKGBTWDVNE-JTQLQIEISA-N 1 0 236.271 1.892 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CC([NH+](C)C)C1 ZINC000159539770 179206349 /nfs/dbraw/zinc/20/63/49/179206349.db2.gz XFEGBOPXTDZLKO-UHFFFAOYSA-N 1 0 235.287 1.653 20 5 BDBDRO C[C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000590758980 347506753 /nfs/dbraw/zinc/50/67/53/347506753.db2.gz XLZZWVWXHWQAIV-SKDRFNHKSA-N 1 0 236.271 1.550 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591439373 347661694 /nfs/dbraw/zinc/66/16/94/347661694.db2.gz UDFPTTMFDLVHIM-VHSXEESVSA-N 1 0 248.286 1.178 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591436940 347660379 /nfs/dbraw/zinc/66/03/79/347660379.db2.gz DHZNNPXCFZKGLG-MNOVXSKESA-N 1 0 247.298 1.783 20 5 BDBDRO Cc1cc(C)c([N+](=O)[O-])c(OCC2C[NH2+]C2)n1 ZINC000592164533 347746443 /nfs/dbraw/zinc/74/64/43/347746443.db2.gz LIEJXRUWGBSIMP-UHFFFAOYSA-N 1 0 237.259 1.205 20 5 BDBDRO COc1cc(OCC2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000592170894 347747018 /nfs/dbraw/zinc/74/70/18/347747018.db2.gz XOVJUDNKKPPYOR-UHFFFAOYSA-N 1 0 238.243 1.202 20 5 BDBDRO O=[N+]([O-])c1cn(C[C@H]2CC[NH2+]C2)nc1C1CC1 ZINC000592171216 347747269 /nfs/dbraw/zinc/74/72/69/347747269.db2.gz UGNHIBCOZLVSOK-QMMMGPOBSA-N 1 0 236.275 1.278 20 5 BDBDRO C[C@H](CCO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000593110315 347861228 /nfs/dbraw/zinc/86/12/28/347861228.db2.gz UMDAXIZNDJVCPB-SNVBAGLBSA-N 1 0 238.287 1.798 20 5 BDBDRO O=[N+]([O-])c1ccccc1CNCC12CC(C1)C[NH2+]2 ZINC000596105947 348440129 /nfs/dbraw/zinc/44/01/29/348440129.db2.gz NWDQRNZLWPNCEU-UHFFFAOYSA-N 1 0 247.298 1.436 20 5 BDBDRO C[C@@H](Nc1cccnc1[N+](=O)[O-])c1nccn1C ZINC000596544162 348584185 /nfs/dbraw/zinc/58/41/85/348584185.db2.gz RTCSXAIVJLCJOM-MRVPVSSYSA-N 1 0 247.258 1.896 20 5 BDBDRO C[NH2+]CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000420166137 192166833 /nfs/dbraw/zinc/16/68/33/192166833.db2.gz OZGRAIFIFWNZDA-UHFFFAOYSA-N 1 0 246.270 1.774 20 5 BDBDRO CC(C)(O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000092801121 191034645 /nfs/dbraw/zinc/03/46/45/191034645.db2.gz KRDFOWPSAWWYHO-UHFFFAOYSA-N 1 0 238.287 1.845 20 5 BDBDRO O=[N+]([O-])c1ccc(OC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000051889118 350536888 /nfs/dbraw/zinc/53/68/88/350536888.db2.gz SQRVVNIUTLWJBD-QMMMGPOBSA-N 1 0 240.234 1.722 20 5 BDBDRO CN(Cc1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000159728445 350985823 /nfs/dbraw/zinc/98/58/23/350985823.db2.gz CTHJAKDUWXWLRA-CYBMUJFWSA-N 1 0 249.314 1.764 20 5 BDBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])nc1 ZINC000344421821 351124661 /nfs/dbraw/zinc/12/46/61/351124661.db2.gz BEGJRSJTJRKWLV-UHFFFAOYSA-N 1 0 238.291 1.790 20 5 BDBDRO Cc1ccc(C[NH2+]C[C@H](C)O)cc1[N+](=O)[O-] ZINC000034995494 351376409 /nfs/dbraw/zinc/37/64/09/351376409.db2.gz MJKTUHIFDPUGGZ-VIFPVBQESA-N 1 0 224.260 1.374 20 5 BDBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](C)O ZINC000386754148 363038954 /nfs/dbraw/zinc/03/89/54/363038954.db2.gz HDDLCANKWWOCQT-VXNVDRBHSA-N 1 0 244.316 1.905 20 5 BDBDRO C[C@@H](CO)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000086622731 352428500 /nfs/dbraw/zinc/42/85/00/352428500.db2.gz UGQXHMAUIUYENZ-ZJUUUORDSA-N 1 0 238.287 1.874 20 5 BDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC2)c1 ZINC000269654043 188023884 /nfs/dbraw/zinc/02/38/84/188023884.db2.gz NLHICODLSKDBMS-NSHDSACASA-N 1 0 222.244 1.334 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCF)cc1 ZINC000087774875 355844850 /nfs/dbraw/zinc/84/48/50/355844850.db2.gz LABZHWCNRHJAHH-UHFFFAOYSA-N 1 0 212.224 1.696 20 5 BDBDRO C[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000580358815 356431900 /nfs/dbraw/zinc/43/19/00/356431900.db2.gz MSKPEVKYXUETKL-SECBINFHSA-N 1 0 236.275 1.130 20 5 BDBDRO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[NH2+]C1 ZINC000088134530 356530486 /nfs/dbraw/zinc/53/04/86/356530486.db2.gz OGCMPJYESXGULW-ZETCQYMHSA-N 1 0 225.223 1.508 20 5 BDBDRO C[NH2+][C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000346684988 357134500 /nfs/dbraw/zinc/13/45/00/357134500.db2.gz HVIDOQBDEKRRDH-GFCCVEGCSA-N 1 0 249.314 1.697 20 5 BDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCO)c1 ZINC000035368261 357195805 /nfs/dbraw/zinc/19/58/05/357195805.db2.gz AODUIAHJSSLPEH-UHFFFAOYSA-N 1 0 230.651 1.330 20 5 BDBDRO C[NH2+]CCCOc1ccc([N+](=O)[O-])c(CO)c1 ZINC000582603953 357348578 /nfs/dbraw/zinc/34/85/78/357348578.db2.gz FUMSGWSGLWKWQN-UHFFFAOYSA-N 1 0 240.259 1.075 20 5 BDBDRO CN(C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578453435 366573750 /nfs/dbraw/zinc/57/37/50/366573750.db2.gz SNIWJNOWBDBDEU-LBPRGKRZSA-N 1 0 249.314 1.733 20 5 BDBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])nc1 ZINC000130623501 363782764 /nfs/dbraw/zinc/78/27/64/363782764.db2.gz JZVSOWBHWYHDQZ-MRVPVSSYSA-N 1 0 224.264 1.352 20 5 BDBDRO Cc1ccc(NC(=O)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000037607313 364264937 /nfs/dbraw/zinc/26/49/37/364264937.db2.gz VHVAJCXTBCPARU-QMMMGPOBSA-N 1 0 237.259 1.579 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2O)cc1 ZINC000037690267 364525580 /nfs/dbraw/zinc/52/55/80/364525580.db2.gz WWIDOUAELGFRGW-VXGBXAGGSA-N 1 0 236.271 1.598 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCO ZINC000573386152 364821367 /nfs/dbraw/zinc/82/13/67/364821367.db2.gz UNGQXYOBEWDSJE-LLVKDONJSA-N 1 0 236.271 1.554 20 5 BDBDRO [NH3+]C[C@@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000131996460 181430449 /nfs/dbraw/zinc/43/04/49/181430449.db2.gz CKNNHQGDUPDQAZ-VIFPVBQESA-N 1 0 221.260 1.522 20 5 BDBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)(C)O ZINC000309757670 370255846 /nfs/dbraw/zinc/25/58/46/370255846.db2.gz HXONVINSAIWGQF-ZETCQYMHSA-N 1 0 244.316 1.905 20 5 BDBDRO O=[N+]([O-])c1ccnn1CC[C@H]1CCC[NH2+]C1 ZINC000568981336 326384597 /nfs/dbraw/zinc/38/45/97/326384597.db2.gz QWAJGMGYOMTNBP-SECBINFHSA-N 1 0 224.264 1.181 20 5 BDBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1ccccc1[N+](=O)[O-] ZINC000124553034 371197842 /nfs/dbraw/zinc/19/78/42/371197842.db2.gz IYSIGZXWVRWSCF-CMPLNLGQSA-N 1 0 249.314 1.906 20 5 BDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000350129338 371556965 /nfs/dbraw/zinc/55/69/65/371556965.db2.gz YWSUMZUUCPNUMW-UHFFFAOYSA-N 1 0 238.291 1.666 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC([NH+]3CCCC3)C2)cn1 ZINC000601193729 371736826 /nfs/dbraw/zinc/73/68/26/371736826.db2.gz NMHRIYOVXLVXTK-UHFFFAOYSA-N 1 0 248.286 1.274 20 5 BDBDRO COCC[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000216443999 371755991 /nfs/dbraw/zinc/75/59/91/371755991.db2.gz DGUROJSZXRWHJO-UHFFFAOYSA-N 1 0 239.275 1.243 20 5 BDBDRO O=[N+]([O-])c1cc(Cl)ccc1OCC1C[NH2+]C1 ZINC000304563783 371797567 /nfs/dbraw/zinc/79/75/67/371797567.db2.gz ZAJOQWFRNBLINO-UHFFFAOYSA-N 1 0 242.662 1.846 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCN2CCC2)cc1 ZINC000602570727 371823097 /nfs/dbraw/zinc/82/30/97/371823097.db2.gz IIQKRZRWPOPKAH-UHFFFAOYSA-N 1 0 249.314 1.433 20 5 BDBDRO CCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965679 371859208 /nfs/dbraw/zinc/85/92/08/371859208.db2.gz LDOJHBNZAKEBRB-LBPRGKRZSA-N 1 0 238.287 1.802 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603086000 371866082 /nfs/dbraw/zinc/86/60/82/371866082.db2.gz CRPDOOOLNRYJEV-NRUUGDAUSA-N 1 0 248.282 1.722 20 5 BDBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000603095854 371868020 /nfs/dbraw/zinc/86/80/20/371868020.db2.gz XPQQFZAUDVMAOI-JQWIXIFHSA-N 1 0 234.255 1.161 20 5 BDBDRO O=C(C[C@H]1CCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000042165877 182028437 /nfs/dbraw/zinc/02/84/37/182028437.db2.gz NXPNUEVGFCVIBR-SECBINFHSA-N 1 0 249.270 1.675 20 5 BDBDRO Cc1ccc(NC(=O)C(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000040920340 373921300 /nfs/dbraw/zinc/92/13/00/373921300.db2.gz NRVQKPYLBAJKOM-UHFFFAOYSA-N 1 0 237.259 1.579 20 5 BDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000053254191 182238157 /nfs/dbraw/zinc/23/81/57/182238157.db2.gz JGEPVTFCDJYYKG-SNVBAGLBSA-N 1 0 249.270 1.077 20 5 BDBDRO O=[N+]([O-])c1cccc(CO[C@H]2CCC[NH2+]C2)c1 ZINC000035781803 182945325 /nfs/dbraw/zinc/94/53/25/182945325.db2.gz WPPUYYBLHAXIGH-LBPRGKRZSA-N 1 0 236.271 1.863 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000043326473 182938213 /nfs/dbraw/zinc/93/82/13/182938213.db2.gz FHOAUSZKCWQGJH-SNVBAGLBSA-N 1 0 221.260 1.759 20 5 BDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000310178574 383990776 /nfs/dbraw/zinc/99/07/76/383990776.db2.gz VUTCZCMGQXRALT-QMMMGPOBSA-N 1 0 237.259 1.062 20 5 BDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000134983236 383965078 /nfs/dbraw/zinc/96/50/78/383965078.db2.gz RWCQPUZGJOLBTP-NXEZZACHSA-N 1 0 238.287 1.701 20 5 BDBDRO C[C@@H](O)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000158668106 384083456 /nfs/dbraw/zinc/08/34/56/384083456.db2.gz RCKZUUGITVQSFD-SNVBAGLBSA-N 1 0 238.287 1.798 20 5 BDBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000293913154 384065744 /nfs/dbraw/zinc/06/57/44/384065744.db2.gz OPTFZQXMRIPEHP-NSHDSACASA-N 1 0 238.287 1.798 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1cn[nH]c1 ZINC000289794552 384289476 /nfs/dbraw/zinc/28/94/76/384289476.db2.gz KLBLVGAOKOXJLU-UHFFFAOYSA-N 1 0 246.270 1.650 20 5 BDBDRO CCCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157332324 384357983 /nfs/dbraw/zinc/35/79/83/384357983.db2.gz ZZUTXAWAHKSKCR-UHFFFAOYSA-N 1 0 226.280 1.523 20 5 BDBDRO Cc1c([C@@H](C)[NH2+]CCO)cccc1[N+](=O)[O-] ZINC000166485521 384391752 /nfs/dbraw/zinc/39/17/52/384391752.db2.gz WFJKQNYQTCDOCF-SECBINFHSA-N 1 0 224.260 1.546 20 5 BDBDRO C[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000126728606 384383426 /nfs/dbraw/zinc/38/34/26/384383426.db2.gz FSLPZUSWCGIAST-SECBINFHSA-N 1 0 224.260 1.407 20 5 BDBDRO Cc1ccc([C@H](C)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423372643 384552276 /nfs/dbraw/zinc/55/22/76/384552276.db2.gz RIMHCEPQQXZFKK-UWVGGRQHSA-N 1 0 237.303 1.901 20 5 BDBDRO COC[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000044478308 384743012 /nfs/dbraw/zinc/74/30/12/384743012.db2.gz YWUMCMDCDQWLLO-JTQLQIEISA-N 1 0 238.287 1.967 20 5 BDBDRO C[C@H]1OCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000147764739 384857811 /nfs/dbraw/zinc/85/78/11/384857811.db2.gz CQBQEXWLWQKIDL-MWLCHTKSSA-N 1 0 236.271 1.862 20 5 BDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000147890719 384862890 /nfs/dbraw/zinc/86/28/90/384862890.db2.gz QJPAJWOZOZLESN-SNVBAGLBSA-N 1 0 249.270 1.029 20 5 BDBDRO CCC([NH3+])(CC)CNc1ncc([N+](=O)[O-])s1 ZINC000226783163 385054808 /nfs/dbraw/zinc/05/48/08/385054808.db2.gz LSNFXDYEMZQVJI-UHFFFAOYSA-N 1 0 244.320 1.981 20 5 BDBDRO COC[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726153 385184382 /nfs/dbraw/zinc/18/43/82/385184382.db2.gz RGIHGQMMFQYCPU-SNVBAGLBSA-N 1 0 238.287 1.762 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCOC2)c1 ZINC000109544279 385175030 /nfs/dbraw/zinc/17/50/30/385175030.db2.gz NUWGXNYIVXUKRM-NSHDSACASA-N 1 0 236.271 1.863 20 5 BDBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000127574977 385260138 /nfs/dbraw/zinc/26/01/38/385260138.db2.gz WEWBULMKKJWJOG-WCBMZHEXSA-N 1 0 238.287 1.935 20 5 BDBDRO C[NH2+][C@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000129144462 385729145 /nfs/dbraw/zinc/72/91/45/385729145.db2.gz APKOJAQYRZYXOK-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO C[NH2+][C@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000129097721 385724090 /nfs/dbraw/zinc/72/40/90/385724090.db2.gz UBEASOQWLMYYQZ-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[NH2+]C1 ZINC000414870026 385845164 /nfs/dbraw/zinc/84/51/64/385845164.db2.gz RYMIEPTYTPFHRL-GFCCVEGCSA-N 1 0 249.314 1.745 20 5 BDBDRO [NH3+]CCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414671801 386142017 /nfs/dbraw/zinc/14/20/17/386142017.db2.gz GRACDYDCNNDKNW-UHFFFAOYSA-N 1 0 249.314 1.908 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]2)cn1 ZINC000053255101 386557500 /nfs/dbraw/zinc/55/75/00/386557500.db2.gz KYTBEXWBJRQEAV-QMMMGPOBSA-N 1 0 222.248 1.154 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000294820335 386566184 /nfs/dbraw/zinc/56/61/84/386566184.db2.gz KLMRTUKMSXXRIM-AOOOYVTPSA-N 1 0 222.244 1.208 20 5 BDBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](CO)C2)c1 ZINC000051887084 386566456 /nfs/dbraw/zinc/56/64/56/386566456.db2.gz LTSLBQXPDWBBQV-NSHDSACASA-N 1 0 236.271 1.409 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1 ZINC000294843156 386605902 /nfs/dbraw/zinc/60/59/02/386605902.db2.gz MSWFYKZOMFLMRD-JGZJWPJOSA-N 1 0 222.244 1.208 20 5 BDBDRO COc1ccc(CN[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414932736 386780011 /nfs/dbraw/zinc/78/00/11/386780011.db2.gz SBSAAVXYADAVRZ-MRVPVSSYSA-N 1 0 239.275 1.040 20 5 BDBDRO Cc1ccc(C[NH2+]C[C@H](C)CO)cc1[N+](=O)[O-] ZINC000088195635 386888918 /nfs/dbraw/zinc/88/89/18/386888918.db2.gz JUDLYNMMCJFRCT-VIFPVBQESA-N 1 0 238.287 1.621 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107571283 387033682 /nfs/dbraw/zinc/03/36/82/387033682.db2.gz AWVXSPLIQLVKKT-AOOOYVTPSA-N 1 0 233.271 1.250 20 5 BDBDRO CC(C)[N@H+](C)CCNc1ncccc1[N+](=O)[O-] ZINC000054128355 387347033 /nfs/dbraw/zinc/34/70/33/387347033.db2.gz AKDXTOIZWPYCLU-UHFFFAOYSA-N 1 0 238.291 1.742 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)C[NH3+] ZINC000347151095 387516499 /nfs/dbraw/zinc/51/64/99/387516499.db2.gz ZIXZLBJCNDQXDY-SNVBAGLBSA-N 1 0 237.303 1.682 20 5 BDBDRO C[C@@H](C[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000054337699 387473064 /nfs/dbraw/zinc/47/30/64/387473064.db2.gz ZMCNPSLAOUXCEN-ZETCQYMHSA-N 1 0 223.232 1.128 20 5 BDBDRO C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000414927903 387609066 /nfs/dbraw/zinc/60/90/66/387609066.db2.gz AKHWPVGKZPLFQL-ZYHUDNBSSA-N 1 0 249.314 1.825 20 5 BDBDRO CC[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000037029878 388085424 /nfs/dbraw/zinc/08/54/24/388085424.db2.gz ASTQTRLRIJRREF-QMMMGPOBSA-N 1 0 237.259 1.579 20 5 BDBDRO C[C@@H]([NH2+]CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176693 388191313 /nfs/dbraw/zinc/19/13/13/388191313.db2.gz XTYDJTRRXZPPCT-SNVBAGLBSA-N 1 0 237.303 1.807 20 5 BDBDRO C[C@H]([NH2+]CCC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000036746799 388259428 /nfs/dbraw/zinc/25/94/28/388259428.db2.gz CPUWSNLCBZGKCV-QMMMGPOBSA-N 1 0 237.259 1.121 20 5 BDBDRO O=[N+]([O-])c1cccc(CNC[C@@H]2CCC[NH2+]C2)c1 ZINC000132245326 388357057 /nfs/dbraw/zinc/35/70/57/388357057.db2.gz SGUHHTCHBHCEGH-GFCCVEGCSA-N 1 0 249.314 1.684 20 5 BDBDRO O=[N+]([O-])c1cccc(CNC[C@H]2CCC[NH2+]C2)c1 ZINC000132245511 388358009 /nfs/dbraw/zinc/35/80/09/388358009.db2.gz SGUHHTCHBHCEGH-LBPRGKRZSA-N 1 0 249.314 1.684 20 5 BDBDRO C[C@@H](O)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245748841 388431259 /nfs/dbraw/zinc/43/12/59/388431259.db2.gz GGXSLSVCOICJHY-NXEZZACHSA-N 1 0 238.287 1.968 20 5 BDBDRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423182264 388687813 /nfs/dbraw/zinc/68/78/13/388687813.db2.gz GPOHWSUXLYWEDT-CMPLNLGQSA-N 1 0 249.314 1.997 20 5 BDBDRO C[C@@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423450202 388692856 /nfs/dbraw/zinc/69/28/56/388692856.db2.gz SQUFZBXVPMJACC-UTLUCORTSA-N 1 0 237.303 1.981 20 5 BDBDRO C[C@@H](C[NH3+])N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423400890 388693195 /nfs/dbraw/zinc/69/31/95/388693195.db2.gz QLWNYVFQJUZHJO-TVQRCGJNSA-N 1 0 249.314 1.909 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000372301482 388703093 /nfs/dbraw/zinc/70/30/93/388703093.db2.gz NMWSXNYQNLBUJM-LBPRGKRZSA-N 1 0 248.282 1.552 20 5 BDBDRO Cc1nc(N2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000118675107 388730822 /nfs/dbraw/zinc/73/08/22/388730822.db2.gz URQTUBYVIIDIRE-MRVPVSSYSA-N 1 0 236.275 1.096 20 5 BDBDRO C[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000495090284 533650427 /nfs/dbraw/zinc/65/04/27/533650427.db2.gz HSOOAMQQCLDYLZ-WCABBAIRSA-N 1 0 238.291 1.425 20 5 BDBDRO C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251574484 132232123 /nfs/dbraw/zinc/23/21/23/132232123.db2.gz CCYXJOMRQZORCE-VHSXEESVSA-N 1 0 235.287 1.768 20 5 BDBDRO [NH3+]C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000044559726 132354457 /nfs/dbraw/zinc/35/44/57/132354457.db2.gz WBTZPLTZTNRPDA-SECBINFHSA-N 1 0 236.275 1.307 20 5 BDBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1 ZINC000130616547 134621875 /nfs/dbraw/zinc/62/18/75/134621875.db2.gz MDMOWVBUHAMVGB-SECBINFHSA-N 1 0 223.276 1.957 20 5 BDBDRO CC[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000077453797 135067517 /nfs/dbraw/zinc/06/75/17/135067517.db2.gz XGJUSXGPYBDZIQ-NSHDSACASA-N 1 0 238.287 1.845 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC[NH3+])c1 ZINC000087151070 135107916 /nfs/dbraw/zinc/10/79/16/135107916.db2.gz DZWXCVPONPHPCC-UHFFFAOYSA-N 1 0 209.249 1.298 20 5 BDBDRO C[C@H](O)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000087129380 135107925 /nfs/dbraw/zinc/10/79/25/135107925.db2.gz PROVGHWHUYXLJI-IUCAKERBSA-N 1 0 224.260 1.454 20 5 BDBDRO C[NH2+]CCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC000087472301 135143443 /nfs/dbraw/zinc/14/34/43/135143443.db2.gz KNDFTVPXZUUZHZ-UHFFFAOYSA-N 1 0 243.332 1.698 20 5 BDBDRO C[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261532674 135163689 /nfs/dbraw/zinc/16/36/89/135163689.db2.gz CAPXKFAVKITMGB-DTWKUNHWSA-N 1 0 221.260 1.378 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+]C[C@H]2C)c1 ZINC000261537514 135174027 /nfs/dbraw/zinc/17/40/27/135174027.db2.gz KDZSBYJJXGBIDR-SNVBAGLBSA-N 1 0 235.287 1.701 20 5 BDBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261543282 135183842 /nfs/dbraw/zinc/18/38/42/135183842.db2.gz SPWLHYPCFYNRRR-VXNVDRBHSA-N 1 0 239.250 1.517 20 5 BDBDRO C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261543281 135184006 /nfs/dbraw/zinc/18/40/06/135184006.db2.gz SPWLHYPCFYNRRR-IONNQARKSA-N 1 0 239.250 1.517 20 5 BDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)[NH2+]C ZINC000261560196 135200962 /nfs/dbraw/zinc/20/09/62/135200962.db2.gz ULTIDSGNGIXYDF-SSDOTTSWSA-N 1 0 241.295 1.139 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261586780 135227894 /nfs/dbraw/zinc/22/78/94/135227894.db2.gz UOQDJNDMGYVPTH-GFCCVEGCSA-N 1 0 248.286 1.180 20 5 BDBDRO CC(C)([NH3+])CNc1c(F)cccc1[N+](=O)[O-] ZINC000261593059 135233604 /nfs/dbraw/zinc/23/36/04/135233604.db2.gz WKOQLZIRNROBNE-UHFFFAOYSA-N 1 0 227.239 1.883 20 5 BDBDRO [NH3+]CCCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000236215722 397734715 /nfs/dbraw/zinc/73/47/15/397734715.db2.gz UEMCXDBSGHIZHN-UHFFFAOYSA-N 1 0 244.682 1.794 20 5 BDBDRO CC[NH2+]CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000124107151 170116043 /nfs/dbraw/zinc/11/60/43/170116043.db2.gz ONWJRNZCULYNEK-UHFFFAOYSA-N 1 0 224.264 1.320 20 5 BDBDRO CCSCC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000273749568 170635570 /nfs/dbraw/zinc/63/55/70/170635570.db2.gz OTFKIIZPYKEKSK-UHFFFAOYSA-N 1 0 244.320 1.134 20 5 BDBDRO C[N@@H+]1CCCC[C@@H]1CCn1nccc1[N+](=O)[O-] ZINC000284260581 173004884 /nfs/dbraw/zinc/00/48/84/173004884.db2.gz PBFMVCZLIWMYGQ-SNVBAGLBSA-N 1 0 238.291 1.666 20 5 BDBDRO C[NH2+]CCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000043599914 173342040 /nfs/dbraw/zinc/34/20/40/173342040.db2.gz KALNYGBMDJWHRN-UHFFFAOYSA-N 1 0 237.259 1.451 20 5 BDBDRO C[NH2+]CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000054244873 173357108 /nfs/dbraw/zinc/35/71/08/173357108.db2.gz HBUGXSXUXJIDPY-UHFFFAOYSA-N 1 0 246.270 1.774 20 5 BDBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000129587148 173364083 /nfs/dbraw/zinc/36/40/83/173364083.db2.gz IDKYTDFGQXUWKG-MRVPVSSYSA-N 1 0 238.291 1.566 20 5 BDBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000123612952 173370102 /nfs/dbraw/zinc/37/01/02/173370102.db2.gz CSOPICHQQZPOJU-LBPRGKRZSA-N 1 0 249.314 1.779 20 5 BDBDRO C[NH2+]C[C@H](C)CNc1nccc(C)c1[N+](=O)[O-] ZINC000129549024 173375474 /nfs/dbraw/zinc/37/54/74/173375474.db2.gz QNXVWJWLEQAJIZ-QMMMGPOBSA-N 1 0 238.291 1.566 20 5 BDBDRO C[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000035697483 173395717 /nfs/dbraw/zinc/39/57/17/173395717.db2.gz JLCXBUOTFSDFBG-UHFFFAOYSA-N 1 0 234.215 1.364 20 5 BDBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000267703249 176296635 /nfs/dbraw/zinc/29/66/35/176296635.db2.gz UXMHOTIDYWEESS-AOOOYVTPSA-N 1 0 238.291 1.379 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH3+])C1 ZINC000224204902 177043007 /nfs/dbraw/zinc/04/30/07/177043007.db2.gz VUSMBSUIMURYPA-MNOVXSKESA-N 1 0 249.314 1.936 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH3+])C1 ZINC000050245425 177043090 /nfs/dbraw/zinc/04/30/90/177043090.db2.gz VUSMBSUIMURYPA-GHMZBOCLSA-N 1 0 249.314 1.936 20 5 BDBDRO C[C@H]1C[C@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355343967 177359652 /nfs/dbraw/zinc/35/96/52/177359652.db2.gz PKGFYIPXEOJNKN-IUCAKERBSA-N 1 0 238.291 1.559 20 5 BDBDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000229602837 177395509 /nfs/dbraw/zinc/39/55/09/177395509.db2.gz ILGAVPGEIUQHCT-SCZZXKLOSA-N 1 0 236.275 1.542 20 5 BDBDRO C[C@@H]1[NH2+]CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000396716821 262820417 /nfs/dbraw/zinc/82/04/17/262820417.db2.gz UFVWCYXORHFXOB-CMPLNLGQSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@@H](C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000111303130 323158582 /nfs/dbraw/zinc/15/85/82/323158582.db2.gz KVFWLXHFDIAZEX-ZETCQYMHSA-N 1 0 238.247 1.064 20 5 BDBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000537323442 324064852 /nfs/dbraw/zinc/06/48/52/324064852.db2.gz LVMMHMJSJIUMLM-UHFFFAOYSA-N 1 0 236.271 1.863 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H](C)O ZINC000544610138 325151862 /nfs/dbraw/zinc/15/18/62/325151862.db2.gz VREBDRAIPVXGGU-SNVBAGLBSA-N 1 0 238.287 1.764 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCO ZINC000565216265 325877017 /nfs/dbraw/zinc/87/70/17/325877017.db2.gz JMHATOFCGAMUCJ-SNVBAGLBSA-N 1 0 222.244 1.164 20 5 BDBDRO C[C@@H](O)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051822059 488049082 /nfs/dbraw/zinc/04/90/82/488049082.db2.gz AQROBZNMFWEHDM-SNVBAGLBSA-N 1 0 238.287 1.450 20 5 BDBDRO CC[C@@H](C)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000093107784 517754608 /nfs/dbraw/zinc/75/46/08/517754608.db2.gz PFUQZBGVTZMLKK-SECBINFHSA-N 1 0 226.280 1.427 20 5 BDBDRO C[NH2+][C@H](C)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000261561198 536404708 /nfs/dbraw/zinc/40/47/08/536404708.db2.gz ALQMUMKWYKAWGD-ZCFIWIBFSA-N 1 0 244.682 1.663 20 5 BDBDRO CN(CC[NH3+])Cc1ccc([N+](=O)[O-])cc1F ZINC000261577338 536369041 /nfs/dbraw/zinc/36/90/41/536369041.db2.gz KZOCOGBNCOAIHS-UHFFFAOYSA-N 1 0 227.239 1.124 20 5 BDBDRO C[NH2+][C@H](C)CNc1c(C)cccc1[N+](=O)[O-] ZINC000261592810 536404587 /nfs/dbraw/zinc/40/45/87/536404587.db2.gz WDWKFTBNYFYBSW-SECBINFHSA-N 1 0 223.276 1.923 20 5 BDBDRO Cc1noc(CO[NH+]=C(N)C(C)C)c1[N+](=O)[O-] ZINC000853684946 588755961 /nfs/dbraw/zinc/75/59/61/588755961.db2.gz NCQCHAYUKCRAHV-UHFFFAOYSA-N 1 0 242.235 1.546 20 5 BDBDRO C[NH2+]Cc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000843239900 582873340 /nfs/dbraw/zinc/87/33/40/582873340.db2.gz QRPGMBLVLXVYDR-UHFFFAOYSA-N 1 0 248.242 1.673 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000791053007 583385384 /nfs/dbraw/zinc/38/53/84/583385384.db2.gz RQELIHABLHBZRL-LLVKDONJSA-N 1 0 212.293 1.918 20 5 BDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cn1 ZINC000894878311 583542390 /nfs/dbraw/zinc/54/23/90/583542390.db2.gz AMERDQYOMDNTPW-PHIMTYICSA-N 1 0 248.286 1.273 20 5 BDBDRO C[C@H]([NH2+]CCCON)c1cccc([N+](=O)[O-])c1 ZINC000902431412 584595665 /nfs/dbraw/zinc/59/56/65/584595665.db2.gz LJRMATRJLBZSLD-VIFPVBQESA-N 1 0 239.275 1.526 20 5 BDBDRO C[NH2+]CCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903881711 584817872 /nfs/dbraw/zinc/81/78/72/584817872.db2.gz GOMHXKVBKNDTAK-UHFFFAOYSA-N 1 0 249.314 1.562 20 5 BDBDRO Cc1c(N[NH2+]C2=CC(=O)CN2)cccc1[N+](=O)[O-] ZINC000747631144 585181526 /nfs/dbraw/zinc/18/15/26/585181526.db2.gz BSUHOGYOSQZNHH-UHFFFAOYSA-N 1 0 248.242 1.674 20 5 BDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC=CCC2)c1 ZINC000778969359 585743066 /nfs/dbraw/zinc/74/30/66/585743066.db2.gz KLCBQWWHDGXLIM-CYBMUJFWSA-N 1 0 248.282 1.890 20 5 BDBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CC[N+](=O)[O-] ZINC000798198023 586140246 /nfs/dbraw/zinc/14/02/46/586140246.db2.gz XYECIZFGEBOKAT-UWVGGRQHSA-N 1 0 200.282 1.774 20 5 BDBDRO C[C@@H]1CC(C)(C)CN1Cn1nccc1[N+](=O)[O-] ZINC000840184803 586520198 /nfs/dbraw/zinc/52/01/98/586520198.db2.gz UEIXPZSIPWRGCZ-SECBINFHSA-N 1 0 238.291 1.869 20 5 BDBDRO C[C@@H]([NH3+])CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817971330 586859100 /nfs/dbraw/zinc/85/91/00/586859100.db2.gz CJRNIXGCQDNBJN-HTQZYQBOSA-N 1 0 238.291 1.175 20 5 BDBDRO C[C@H]1[C@@H](C)[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000841688900 587972341 /nfs/dbraw/zinc/97/23/41/587972341.db2.gz HUVZACNFVJNSND-OPRDCNLKSA-N 1 0 238.291 1.725 20 5 BDBDRO C/C=C\C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863582646 589301749 /nfs/dbraw/zinc/30/17/49/589301749.db2.gz PXMUOHDSXVPIIL-DLGQBQFBSA-N 1 0 236.271 1.794 20 5 BDBDRO CC[NH+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000885942625 592111517 /nfs/dbraw/zinc/11/15/17/592111517.db2.gz QKZVAIPURLGHLI-UHFFFAOYSA-N 1 0 209.249 1.832 20 5 BDBDRO CCCNC(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC000052044421 632051072 /nfs/dbraw/zinc/05/10/72/632051072.db2.gz FSDMHNBSFYSVPF-UHFFFAOYSA-N 1 0 236.275 1.619 20 5 BDBDRO [NH3+][C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000041027497 636950282 /nfs/dbraw/zinc/95/02/82/636950282.db2.gz PWPGHVNELGMWBX-NSHDSACASA-N 1 0 235.287 1.518 20 5 BDBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000904448607 637414263 /nfs/dbraw/zinc/41/42/63/637414263.db2.gz AJUXVQNCSSSJAR-UHFFFAOYSA-N 1 0 221.260 1.176 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000905039665 637558359 /nfs/dbraw/zinc/55/83/59/637558359.db2.gz WSXNGGNDWVSZMR-RXMQYKEDSA-N 1 0 213.064 1.047 20 5 BDBDRO C[NH+](C)[C@H](CNCC[N+](=O)[O-])C1CCCCC1 ZINC000905049012 637567569 /nfs/dbraw/zinc/56/75/69/637567569.db2.gz NPPSZKQPHPPBHT-GFCCVEGCSA-N 1 0 243.351 1.363 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000905022469 637572517 /nfs/dbraw/zinc/57/25/17/637572517.db2.gz CRDQLOJDENOUOV-GFCCVEGCSA-N 1 0 220.272 1.410 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1cccc(Cl)c1 ZINC000905026658 637575257 /nfs/dbraw/zinc/57/52/57/637575257.db2.gz NNWSMMHHRQJEDM-UHFFFAOYSA-N 1 0 228.679 1.749 20 5 BDBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNCC[N+](=O)[O-])C1 ZINC000905066085 637598621 /nfs/dbraw/zinc/59/86/21/637598621.db2.gz BTOUQFMGQSQIAT-NSHDSACASA-N 1 0 243.351 1.363 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000905071695 637603516 /nfs/dbraw/zinc/60/35/16/637603516.db2.gz PRCBGEIBZIQYFB-MNOVXSKESA-N 1 0 224.235 1.548 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCOC1CCCC1 ZINC000905077007 637608108 /nfs/dbraw/zinc/60/81/08/637608108.db2.gz UTCSTBDCNPKNHY-UHFFFAOYSA-N 1 0 216.281 1.202 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000905124367 637630682 /nfs/dbraw/zinc/63/06/82/637630682.db2.gz RQLATYUUGIIZQY-NSHDSACASA-N 1 0 234.299 1.658 20 5 BDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccncc1 ZINC000905134301 637644714 /nfs/dbraw/zinc/64/47/14/637644714.db2.gz SSFIVKAZCPOYLV-JTQLQIEISA-N 1 0 209.249 1.399 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000905138098 637646103 /nfs/dbraw/zinc/64/61/03/637646103.db2.gz OREXPUARIGUQAG-WDEREUQCSA-N 1 0 212.293 1.822 20 5 BDBDRO CC(C)[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905194671 637673996 /nfs/dbraw/zinc/67/39/96/637673996.db2.gz KUJXNSRWQKYGRW-ZJUUUORDSA-N 1 0 216.281 1.056 20 5 BDBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905192634 637672164 /nfs/dbraw/zinc/67/21/64/637672164.db2.gz WKQOTBRIPQODCA-VHSXEESVSA-N 1 0 230.308 1.446 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000905174126 637682522 /nfs/dbraw/zinc/68/25/22/637682522.db2.gz DLEKZSZXIPIFNC-FRRDWIJNSA-N 1 0 232.283 1.581 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000905177871 637684924 /nfs/dbraw/zinc/68/49/24/637684924.db2.gz YENSHPHRYRPTQT-JHJVBQTASA-N 1 0 232.283 1.439 20 5 BDBDRO CCOC1CC(CC[NH2+]CC[N+](=O)[O-])C1 ZINC000905227961 637688397 /nfs/dbraw/zinc/68/83/97/637688397.db2.gz FAZWMBHLGGFMJE-UHFFFAOYSA-N 1 0 216.281 1.058 20 5 BDBDRO CSCCCCCC[NH2+]CC[N+](=O)[O-] 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O=[N+]([O-])CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000905408303 637799438 /nfs/dbraw/zinc/79/94/38/637799438.db2.gz NYVRCBZFUCTZRM-UHFFFAOYSA-N 1 0 219.244 1.534 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1cccc2ncccc12 ZINC000905415570 637802744 /nfs/dbraw/zinc/80/27/44/637802744.db2.gz LAYDPDJGGNGNJF-UHFFFAOYSA-N 1 0 231.255 1.601 20 5 BDBDRO COC1(C[NH2+]CC[N+](=O)[O-])CCCCCC1 ZINC000905699505 637894871 /nfs/dbraw/zinc/89/48/71/637894871.db2.gz HECLIWZAZZONAN-UHFFFAOYSA-N 1 0 230.308 1.592 20 5 BDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccsc1 ZINC000930345352 639715071 /nfs/dbraw/zinc/71/50/71/639715071.db2.gz NJYFFGIGWYYMGX-ZETCQYMHSA-N 1 0 200.263 1.675 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000930347901 639720475 /nfs/dbraw/zinc/72/04/75/639720475.db2.gz MDRXSVMADQVCDL-NSHDSACASA-N 1 0 236.271 1.247 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC2(CCOCC2)CC1 ZINC000930373918 639736613 /nfs/dbraw/zinc/73/66/13/639736613.db2.gz PDPMIWPBQNWVAQ-UHFFFAOYSA-N 1 0 228.292 1.156 20 5 BDBDRO CC(C)[C@H]1C[N@H+](CC[N+](=O)[O-])CCCO1 ZINC000930589635 639814741 /nfs/dbraw/zinc/81/47/41/639814741.db2.gz LLKQGMJARRELSJ-SNVBAGLBSA-N 1 0 216.281 1.010 20 5 BDBDRO CN1CCC[C@@H]([NH2+]CC[N+](=O)[O-])c2ccccc21 ZINC000930654142 639847250 /nfs/dbraw/zinc/84/72/50/639847250.db2.gz CGFQGVPBTNJJEQ-GFCCVEGCSA-N 1 0 249.314 1.824 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000930714336 639876000 /nfs/dbraw/zinc/87/60/00/639876000.db2.gz DENPJCLBBWVANX-RYUDHWBXSA-N 1 0 236.271 1.071 20 5 BDBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000035792397 639946852 /nfs/dbraw/zinc/94/68/52/639946852.db2.gz PGSAGHXPDZKDFA-HTQZYQBOSA-N 1 0 237.259 1.119 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000930861759 639954490 /nfs/dbraw/zinc/95/44/90/639954490.db2.gz DPHZDUPTMWBLEH-MRVPVSSYSA-N 1 0 220.219 1.384 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000931026025 640028977 /nfs/dbraw/zinc/02/89/77/640028977.db2.gz OMRBCGVGSIISQX-NEPJUHHUSA-N 1 0 242.319 1.544 20 5 BDBDRO CC1(C)CCC[C@](CO)([NH2+]CC[N+](=O)[O-])C1 ZINC000931177829 640092264 /nfs/dbraw/zinc/09/22/64/640092264.db2.gz KPESPJHSCDNXND-NSHDSACASA-N 1 0 230.308 1.184 20 5 BDBDRO CCC(O)(CC)C(C)(C)[NH2+]CC[N+](=O)[O-] ZINC000931562556 640275873 /nfs/dbraw/zinc/27/58/73/640275873.db2.gz QHFFKATYOHBQLH-UHFFFAOYSA-N 1 0 218.297 1.182 20 5 BDBDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000932168484 640448954 /nfs/dbraw/zinc/44/89/54/640448954.db2.gz BKZUSCOPZCPWPQ-JTQLQIEISA-N 1 0 230.308 1.543 20 5 BDBDRO C[C@@H](COCC1CCCCC1)[NH2+]CC[N+](=O)[O-] ZINC000932422205 640524311 /nfs/dbraw/zinc/52/43/11/640524311.db2.gz IBZNEMATSJQQFV-NSHDSACASA-N 1 0 244.335 1.838 20 5 BDBDRO COC1CC([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000230690653 641089708 /nfs/dbraw/zinc/08/97/08/641089708.db2.gz VWNHMZZMJKJANB-UHFFFAOYSA-N 1 0 236.271 1.862 20 5 BDBDRO CN(c1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071311606 643122885 /nfs/dbraw/zinc/12/28/85/643122885.db2.gz MOBHUSUBZXLGJD-VIFPVBQESA-N 1 0 239.250 1.532 20 5 BDBDRO CSCC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000932584800 643368650 /nfs/dbraw/zinc/36/86/50/643368650.db2.gz BZWAZDPQKAVCKX-UHFFFAOYSA-N 1 0 218.322 1.338 20 5 BDBDRO [NH3+]C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000050245480 643660548 /nfs/dbraw/zinc/66/05/48/643660548.db2.gz NKCBJTIRRSYDAV-MRVPVSSYSA-N 1 0 241.316 1.437 20 5 BDBDRO Cc1c(C[NH2+]CC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000085990666 644453680 /nfs/dbraw/zinc/45/36/80/644453680.db2.gz VQPNZTNRGFMELI-SECBINFHSA-N 1 0 238.287 1.764 20 5 BDBDRO [NH3+]C[C@H]1CCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000089092178 644534548 /nfs/dbraw/zinc/53/45/48/644534548.db2.gz NBETWDAKYLDQDC-RKDXNWHRSA-N 1 0 236.275 1.529 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC(c2cccnc2)CC1 ZINC000930160439 645519795 /nfs/dbraw/zinc/51/97/95/645519795.db2.gz PFUVKDAJKNJHNB-UHFFFAOYSA-N 1 0 235.287 1.538 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000929709669 646263343 /nfs/dbraw/zinc/26/33/43/646263343.db2.gz GMIKAXLLZPNHQI-UHFFFAOYSA-N 1 0 228.292 1.156 20 5 BDBDRO CCC1(CC)[C@H]([N@H+](C)CC[N+](=O)[O-])C[C@@H]1OC ZINC000930034430 646403867 /nfs/dbraw/zinc/40/38/67/646403867.db2.gz AUCUKZRPLYNXDA-MNOVXSKESA-N 1 0 244.335 1.789 20 5 BDBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CCC[NH2+]1 ZINC000236160910 711671906 /nfs/dbraw/zinc/67/19/06/711671906.db2.gz ZMMYRGKKVMLWFI-QMMMGPOBSA-N 1 0 239.250 1.898 20 5 BDBDRO C[C@]12C[NH2+]C[C@H]1CN(c1ccc([N+](=O)[O-])cn1)C2 ZINC000703558646 712078562 /nfs/dbraw/zinc/07/85/62/712078562.db2.gz RMLJVTXQMGCHDS-JOYOIKCWSA-N 1 0 248.286 1.036 20 5 BDBDRO COC(C)(C)CN(C)Cn1nccc1[N+](=O)[O-] ZINC000758405641 712408565 /nfs/dbraw/zinc/40/85/65/712408565.db2.gz RUYYLTFMWQOSNO-UHFFFAOYSA-N 1 0 242.279 1.106 20 5 BDBDRO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000712537301 712442862 /nfs/dbraw/zinc/44/28/62/712442862.db2.gz XVQAQPMRIRGLTB-MFKMUULPSA-N 1 0 249.314 1.950 20 5 BDBDRO C[C@@H]([NH2+]CCC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000036746778 712489119 /nfs/dbraw/zinc/48/91/19/712489119.db2.gz XTZAOTHISBMZEK-MRVPVSSYSA-N 1 0 237.259 1.121 20 5 BDBDRO C[C@H]1[C@H](Nc2ncccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719580361 712812650 /nfs/dbraw/zinc/81/26/50/712812650.db2.gz RKNNVJLPBIWBPU-DTWKUNHWSA-N 1 0 236.275 1.494 20 5 BDBDRO C[N+](C)(C)CCOC[C@@H]1CCC=CO1 ZINC001224771892 964934961 /nfs/dbraw/zinc/93/49/61/964934961.db2.gz UDRRKZTVZLXACE-NSHDSACASA-N 1 0 200.302 1.402 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cnco2)C1 ZINC001168966176 969318309 /nfs/dbraw/zinc/31/83/09/969318309.db2.gz GWHNKSGJAVSHKA-DTWKUNHWSA-N 1 0 225.248 1.210 20 5 BDBDRO CC1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168965310 969319340 /nfs/dbraw/zinc/31/93/40/969319340.db2.gz ZOGMEDBVUTWZPN-UWVGGRQHSA-N 1 0 212.293 1.822 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2CO)C1 ZINC001169000995 969326155 /nfs/dbraw/zinc/32/61/55/969326155.db2.gz CCRSPFOHFRJOQO-YFKTTZPYSA-N 1 0 242.319 1.182 20 5 BDBDRO C[C@@H]1COCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169009099 969333240 /nfs/dbraw/zinc/33/32/40/969333240.db2.gz VLLOPEGEYTUHBM-SDDRHHMPSA-N 1 0 242.319 1.400 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](O)CC2)C1 ZINC001169009090 969334303 /nfs/dbraw/zinc/33/43/03/969334303.db2.gz VJJZHRWFWDBVDM-GRYCIOLGSA-N 1 0 242.319 1.279 20 5 BDBDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169012184 969337241 /nfs/dbraw/zinc/33/72/41/969337241.db2.gz OOWUZUBXDQQHMA-VWYCJHECSA-N 1 0 228.292 1.153 20 5 BDBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1(C)COC1 ZINC001169034579 969353768 /nfs/dbraw/zinc/35/37/68/969353768.db2.gz HZVYFBVNUDMDEH-VHSXEESVSA-N 1 0 228.292 1.153 20 5 BDBDRO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]CC[N+](=O)[O-] ZINC001336732583 977891187 /nfs/dbraw/zinc/89/11/87/977891187.db2.gz GLNHLZMBFYBMTB-JTQLQIEISA-N 1 0 240.307 1.164 20 5 BDBDRO O=[N+]([O-])CCN[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001346262787 980800508 /nfs/dbraw/zinc/80/05/08/980800508.db2.gz CUTNXKOKMPYZMW-LLVKDONJSA-N 1 0 241.335 1.260 20 5 BDBDRO O=[N+]([O-])CCN[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001346262791 980800900 /nfs/dbraw/zinc/80/09/00/980800900.db2.gz CUTNXKOKMPYZMW-NSHDSACASA-N 1 0 241.335 1.260 20 5 BDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCO ZINC001246915745 973460005 /nfs/dbraw/zinc/46/00/05/973460005.db2.gz XXNLPTFPXXEWOI-JTQLQIEISA-N 1 0 238.287 1.450 20 5 BDBDRO COC(=O)[C@H]1C[C@H](OCCC[N+](C)(C)C)C1 ZINC001224622166 973804659 /nfs/dbraw/zinc/80/46/59/973804659.db2.gz GAGOWHXLFKSCDV-XYPYZODXSA-N 1 0 230.328 1.051 20 5 BDBDRO CC[C@H](COC)OCCC[N+](C)(C)C ZINC001224621981 973804728 /nfs/dbraw/zinc/80/47/28/973804728.db2.gz DYLYLLRKVNCWPX-LLVKDONJSA-N 1 0 204.334 1.524 20 5 BDBDRO C[C@H](O)CCCC(=O)OCCC[N+](C)(C)C ZINC001224623017 973806000 /nfs/dbraw/zinc/80/60/00/973806000.db2.gz JXLMOVOVBRSZCX-NSHDSACASA-N 1 0 232.344 1.177 20 5 BDBDRO O=[N+]([O-])c1ccc(CO[C@H]2CCC[NH2+]C2)cn1 ZINC001217855101 971445062 /nfs/dbraw/zinc/44/50/62/971445062.db2.gz BULVKBXDVXTZRA-JTQLQIEISA-N 1 0 237.259 1.258 20 5 BDBDRO Cc1cc(O[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC001218181911 971617716 /nfs/dbraw/zinc/61/77/16/971617716.db2.gz HQIXLLJVRFWLAR-JTQLQIEISA-N 1 0 236.271 1.952 20 5 BDBDRO C[C@@H]([NH3+])CCNc1cc([N+](=O)[O-])c2nccn2c1 ZINC001170890832 972041295 /nfs/dbraw/zinc/04/12/95/972041295.db2.gz IBFXISJMZYMWLM-MRVPVSSYSA-N 1 0 249.274 1.392 20 5 BDBDRO COc1ncc([N+](=O)[O-])cc1NCC[C@@H](C)[NH3+] ZINC001170891298 972045469 /nfs/dbraw/zinc/04/54/69/972045469.db2.gz SLJIGMLPWKUPOM-SSDOTTSWSA-N 1 0 240.263 1.148 20 5 BDBDRO CCOC(=O)[C@H](C)O[C@@H](C)C[N+](C)(C)C ZINC001204600449 959191880 /nfs/dbraw/zinc/19/18/80/959191880.db2.gz YPGQJRXTOYGJBJ-UWVGGRQHSA-N 1 0 218.317 1.049 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1-n1ccc(CC[NH3+])n1 ZINC001167730215 960262765 /nfs/dbraw/zinc/26/27/65/960262765.db2.gz FFWGBAGUZJIWRY-UHFFFAOYSA-N 1 0 246.270 1.590 20 5 BDBDRO COc1ccc(O[C@@H](C)C[N+](C)(C)C)cn1 ZINC001228055220 963669062 /nfs/dbraw/zinc/66/90/62/963669062.db2.gz RIJPVLQQWGJKHA-JTQLQIEISA-N 1 0 225.312 1.564 20 5 BDBDRO Cc1cnc(-n2ccc([C@H](C)[NH3+])n2)c([N+](=O)[O-])c1 ZINC001158346206 963852332 /nfs/dbraw/zinc/85/23/32/963852332.db2.gz SUDDTLKQYXIYHP-QMMMGPOBSA-N 1 0 247.258 1.504 20 5 BDBDRO Cc1cnc(-n2ccc([C@@H](C)[NH3+])n2)c([N+](=O)[O-])c1 ZINC001158346205 963852777 /nfs/dbraw/zinc/85/27/77/963852777.db2.gz SUDDTLKQYXIYHP-MRVPVSSYSA-N 1 0 247.258 1.504 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1coccc1=O ZINC001229003698 963948135 /nfs/dbraw/zinc/94/81/35/963948135.db2.gz UVTWTMIVYKKDCY-SECBINFHSA-N 1 0 212.269 1.113 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCC(=O)C(C)(C)C ZINC001204862417 964153447 /nfs/dbraw/zinc/15/34/47/964153447.db2.gz FXIZWRBWRILANV-SNVBAGLBSA-N 1 0 216.345 1.713 20 5 BDBDRO [NH3+]C/C=C/CNc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001160982951 964470718 /nfs/dbraw/zinc/47/07/18/964470718.db2.gz MRMKPZYAWPHNLC-OWOJBTEDSA-N 1 0 247.258 1.398 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C[NH+]1CCC(Oc2cnccc2[N+](=O)[O-])CC1 ZINC001228880408 976547122 /nfs/dbraw/zinc/54/71/22/976547122.db2.gz UORSMDDTGJHXEA-UHFFFAOYSA-N 1 0 237.259 1.463 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001334788380 976663175 /nfs/dbraw/zinc/66/31/75/976663175.db2.gz PMDBGOYJYGUNJS-UHFFFAOYSA-N 1 0 242.319 1.592 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2c[nH]nc2cn1 ZINC001229235578 976797936 /nfs/dbraw/zinc/79/79/36/976797936.db2.gz FTUZUGZMLIOZQY-VIFPVBQESA-N 1 0 235.311 1.431 20 5 BDBDRO COC[C@H](CC(C)(C)C)[NH2+]CC[N+](=O)[O-] ZINC001335433205 977058620 /nfs/dbraw/zinc/05/86/20/977058620.db2.gz RXQAYBRWZDPDEE-VIFPVBQESA-N 1 0 218.297 1.304 20 5 BDBDRO C[N@@H+]1CC[C@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233855632 978713055 /nfs/dbraw/zinc/71/30/55/978713055.db2.gz UUSMYCUWILMDAM-VIFPVBQESA-N 1 0 223.232 1.073 20 5 BDBDRO COc1c(F)nccc1O[C@@H](C)C[N+](C)(C)C ZINC001234259022 978806142 /nfs/dbraw/zinc/80/61/42/978806142.db2.gz UCSBRQOMKLKOSV-VIFPVBQESA-N 1 0 243.302 1.703 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1nccc(Cl)n1 ZINC001234537755 978858588 /nfs/dbraw/zinc/85/85/88/978858588.db2.gz MDBJILDRAXQXDT-MRVPVSSYSA-N 1 0 230.719 1.604 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]([NH3+])C2)c1 ZINC001342171504 979691012 /nfs/dbraw/zinc/69/10/12/979691012.db2.gz ULMUCSQFLMAWAN-KYZUINATSA-N 1 0 249.270 1.123 20 5 BDBDRO CCSCCO[C@@H](C)C[N+](C)(C)C ZINC001205350480 980369723 /nfs/dbraw/zinc/36/97/23/980369723.db2.gz VHNLGYONSMLXEI-JTQLQIEISA-N 1 0 206.375 1.851 20 5 BDBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC001346408509 980829314 /nfs/dbraw/zinc/82/93/14/980829314.db2.gz UZZZCUSKIFZUHS-MGCOHNPYSA-N 1 0 249.270 1.123 20 5 BDBDRO C[C@@H]1CN(CC[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001197808962 982593793 /nfs/dbraw/zinc/59/37/93/982593793.db2.gz NYQXWYIRZZRZGT-LLVKDONJSA-N 1 0 241.335 1.212 20 5 BDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC=CC2)c1 ZINC001356533746 983621952 /nfs/dbraw/zinc/62/19/52/983621952.db2.gz SYBCZWJTYYVSQK-CYBMUJFWSA-N 1 0 248.282 1.936 20 5 BDBDRO CN(c1sccc1[N+](=O)[O-])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578511480 985129123 /nfs/dbraw/zinc/12/91/23/985129123.db2.gz HDXMKWPCDUIZAN-QMSLJYSESA-N 1 0 239.300 1.310 20 5 BDBDRO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)N1 ZINC001246970154 988801309 /nfs/dbraw/zinc/80/13/09/988801309.db2.gz SKGXAQVBZLOTLN-WRWGMCAJSA-N 1 0 241.335 1.114 20 5 BDBDRO Cc1cc(N[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000052093721 178190653 /nfs/dbraw/zinc/19/06/53/178190653.db2.gz KGNIDPUMQIQBAZ-JTQLQIEISA-N 1 0 221.260 1.677 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[NH+](C)C ZINC000168977661 178275117 /nfs/dbraw/zinc/27/51/17/178275117.db2.gz KRKLSWBAURFCLF-VIFPVBQESA-N 1 0 238.291 1.660 20 5 BDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000404785855 361866270 /nfs/dbraw/zinc/86/62/70/361866270.db2.gz POVAZFYZRZIXJR-NEPJUHHUSA-N 1 0 249.314 1.810 20 5 BDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000320729064 342736332 /nfs/dbraw/zinc/73/63/32/342736332.db2.gz SMEVFLZQGJVORF-RQJHMYQMSA-N 1 0 241.247 1.043 20 5 BDBDRO C[C@H](CC[NH+](C)C)Nc1cccnc1[N+](=O)[O-] ZINC000134435996 342854177 /nfs/dbraw/zinc/85/41/77/342854177.db2.gz ALQJGGUGTGUKGN-SECBINFHSA-N 1 0 238.291 1.742 20 5 BDBDRO [NH3+]C[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000123431968 398312274 /nfs/dbraw/zinc/31/22/74/398312274.db2.gz SCKHLUDTPQEOJJ-NSHDSACASA-N 1 0 235.287 1.518 20 5 BDBDRO C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602466150 342925246 /nfs/dbraw/zinc/92/52/46/342925246.db2.gz AFTPKUVZWUJCAH-QMMMGPOBSA-N 1 0 224.264 1.313 20 5 BDBDRO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000043327198 343051242 /nfs/dbraw/zinc/05/12/42/343051242.db2.gz ONXLDCQVQYDUAP-ZYHUDNBSSA-N 1 0 249.314 1.997 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C(C)(C)C ZINC000602850118 349785531 /nfs/dbraw/zinc/78/55/31/349785531.db2.gz ODEVZRGMXYEAQC-UHFFFAOYSA-N 1 0 240.307 1.830 20 5 BDBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])cn1 ZINC000168350480 136267927 /nfs/dbraw/zinc/26/79/27/136267927.db2.gz XLJYOCXMHYSMMC-QMMMGPOBSA-N 1 0 224.264 1.257 20 5 BDBDRO C[NH2+]C[C@@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000168337673 136267628 /nfs/dbraw/zinc/26/76/28/136267628.db2.gz YNNVYPRWGVVCSP-MRVPVSSYSA-N 1 0 224.264 1.257 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@@H](C)[NH3+])n1 ZINC000088036528 136284067 /nfs/dbraw/zinc/28/40/67/136284067.db2.gz VEYNTEQBUIDRRH-SSDOTTSWSA-N 1 0 224.264 1.447 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCCO)cc1 ZINC000013718129 343634466 /nfs/dbraw/zinc/63/44/66/343634466.db2.gz AOYIJIXEDRIAID-UHFFFAOYSA-N 1 0 238.287 1.847 20 5 BDBDRO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000083814021 343673665 /nfs/dbraw/zinc/67/36/65/343673665.db2.gz VETWGIRYKXABBY-QMMMGPOBSA-N 1 0 241.316 1.450 20 5 BDBDRO CC[NH+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000071515275 343686240 /nfs/dbraw/zinc/68/62/40/343686240.db2.gz PAMCAMVSUMMAMB-UHFFFAOYSA-N 1 0 239.275 1.098 20 5 BDBDRO COc1cccc([N+](=O)[O-])c1N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000600887698 343724688 /nfs/dbraw/zinc/72/46/88/343724688.db2.gz RRSRFYLKGAVQEU-IUCAKERBSA-N 1 0 249.270 1.154 20 5 BDBDRO CC(C)(CO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000126383971 343896142 /nfs/dbraw/zinc/89/61/42/343896142.db2.gz SEDMRVZWUXPBTR-UHFFFAOYSA-N 1 0 238.287 1.703 20 5 BDBDRO COCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449060048 201799133 /nfs/dbraw/zinc/79/91/33/201799133.db2.gz CIGFOQISQUNVNS-JTQLQIEISA-N 1 0 238.287 1.762 20 5 BDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107578974 345589455 /nfs/dbraw/zinc/58/94/55/345589455.db2.gz BQBPJBZVIHMZBX-VXGBXAGGSA-N 1 0 247.298 1.246 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327655 345768156 /nfs/dbraw/zinc/76/81/56/345768156.db2.gz VCNWDSLVVLGRGV-GAFUQQFSSA-N 1 0 247.298 1.702 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000050228167 178931442 /nfs/dbraw/zinc/93/14/42/178931442.db2.gz CXLVAPSRQHFRAD-VIFPVBQESA-N 1 0 249.270 1.076 20 5 BDBDRO CC(C)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267034345 535023286 /nfs/dbraw/zinc/02/32/86/535023286.db2.gz BTBTYCQKTWSPED-UHFFFAOYSA-N 1 0 226.280 1.379 20 5 BDBDRO C[NH+](C)C(C)(C)CNc1cccnc1[N+](=O)[O-] ZINC000159287211 349949190 /nfs/dbraw/zinc/94/91/90/349949190.db2.gz JJMHDFVTBQKRCX-UHFFFAOYSA-N 1 0 238.291 1.742 20 5 BDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccon1 ZINC000148854079 346471104 /nfs/dbraw/zinc/47/11/04/346471104.db2.gz APUJCGZKGJEUCY-UHFFFAOYSA-N 1 0 247.254 1.915 20 5 BDBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)(C)O ZINC000309757668 347156644 /nfs/dbraw/zinc/15/66/44/347156644.db2.gz HXONVINSAIWGQF-SSDOTTSWSA-N 1 0 244.316 1.905 20 5 BDBDRO CCN(CC[NH3+])Cc1ccc([N+](=O)[O-])cc1F ZINC000310249394 347253100 /nfs/dbraw/zinc/25/31/00/347253100.db2.gz FOPDXJRIZMYXDA-UHFFFAOYSA-N 1 0 241.266 1.515 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235367383 179207017 /nfs/dbraw/zinc/20/70/17/179207017.db2.gz ZNGPGBHYYKVSCD-ZJUUUORDSA-N 1 0 235.287 1.687 20 5 BDBDRO Cc1c([C@@H](C)NC[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000591580646 347677703 /nfs/dbraw/zinc/67/77/03/347677703.db2.gz DPHAHVJMJKYOAZ-WCBMZHEXSA-N 1 0 237.303 1.901 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CCF)cc1 ZINC000593689171 347927483 /nfs/dbraw/zinc/92/74/83/347927483.db2.gz KGMWUBHWJFYITC-SNVBAGLBSA-N 1 0 242.250 1.405 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000595001017 348169182 /nfs/dbraw/zinc/16/91/82/348169182.db2.gz OYVIQMAPVKRQAA-UMSPYCQHSA-N 1 0 236.271 1.516 20 5 BDBDRO C[C@H]([NH2+]C/C=C/CO)c1ccc([N+](=O)[O-])cc1 ZINC000595073149 348188864 /nfs/dbraw/zinc/18/88/64/348188864.db2.gz SKJZGROZCHVMGL-PBKGFPTLSA-N 1 0 236.271 1.794 20 5 BDBDRO Cc1noc(C[NH+]2C[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595331990 348228260 /nfs/dbraw/zinc/22/82/60/348228260.db2.gz AWIFFRHZTKVPCD-HTQZYQBOSA-N 1 0 239.275 1.979 20 5 BDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000595767814 348334917 /nfs/dbraw/zinc/33/49/17/348334917.db2.gz PELYAXHWFQIBNL-WCQYABFASA-N 1 0 248.282 1.552 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000595925329 348402903 /nfs/dbraw/zinc/40/29/03/348402903.db2.gz YYSXUCSXHDWGBK-KYZUINATSA-N 1 0 249.270 1.579 20 5 BDBDRO Cc1nc(N2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000036245120 180002301 /nfs/dbraw/zinc/00/23/01/180002301.db2.gz GEKQZKLQVPFUAF-UHFFFAOYSA-N 1 0 236.275 1.098 20 5 BDBDRO Cc1nc(NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000123784584 180017991 /nfs/dbraw/zinc/01/79/91/180017991.db2.gz VUWOBIXFFVSUQH-UHFFFAOYSA-N 1 0 224.264 1.272 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCCO ZINC000050508340 350349547 /nfs/dbraw/zinc/34/95/47/350349547.db2.gz XTHSZLXZMGFMKN-SNVBAGLBSA-N 1 0 238.287 1.970 20 5 BDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000382426675 350741911 /nfs/dbraw/zinc/74/19/11/350741911.db2.gz MWHWILPDNXAEPA-RKDXNWHRSA-N 1 0 236.275 1.672 20 5 BDBDRO [NH3+][C@H]1CCC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000382426672 350742037 /nfs/dbraw/zinc/74/20/37/350742037.db2.gz MWHWILPDNXAEPA-DTWKUNHWSA-N 1 0 236.275 1.672 20 5 BDBDRO CC[C@@H](NC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000577620179 366020259 /nfs/dbraw/zinc/02/02/59/366020259.db2.gz OGXCNSNTRWVYBZ-GFCCVEGCSA-N 1 0 235.287 1.607 20 5 BDBDRO C[C@@H]([NH3+])CCNc1ncccc1[N+](=O)[O-] ZINC000063171471 351269415 /nfs/dbraw/zinc/26/94/15/351269415.db2.gz VQUXOYQPMHXAQT-SSDOTTSWSA-N 1 0 210.237 1.139 20 5 BDBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000386898602 363058829 /nfs/dbraw/zinc/05/88/29/363058829.db2.gz OKQWXDAODNTXJF-CABZTGNLSA-N 1 0 238.287 1.844 20 5 BDBDRO CC(C)([NH3+])CNc1ncc([N+](=O)[O-])cc1F ZINC000413150437 191355834 /nfs/dbraw/zinc/35/58/34/191355834.db2.gz WSCHXYYQLXDDHR-UHFFFAOYSA-N 1 0 228.227 1.278 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]([NH3+])C1 ZINC000420277439 192198538 /nfs/dbraw/zinc/19/85/38/192198538.db2.gz TZNATWNMPRBLKP-WDEREUQCSA-N 1 0 249.314 1.997 20 5 BDBDRO Cc1ccc([C@H](C)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420409758 192239714 /nfs/dbraw/zinc/23/97/14/192239714.db2.gz QTFTUBUJRDOPOO-ZJUUUORDSA-N 1 0 237.303 1.901 20 5 BDBDRO Cc1c(CN2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000088060267 356473510 /nfs/dbraw/zinc/47/35/10/356473510.db2.gz NLNSGPLDHIFACV-SNVBAGLBSA-N 1 0 249.314 1.697 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[NH2+]1 ZINC000384772294 356744436 /nfs/dbraw/zinc/74/44/36/356744436.db2.gz HSGLLQBYVWYYOT-SECBINFHSA-N 1 0 235.243 1.204 20 5 BDBDRO Cc1ccc(CN2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000346629042 357118665 /nfs/dbraw/zinc/11/86/65/357118665.db2.gz BKRCFNAYEFAGBD-UHFFFAOYSA-N 1 0 249.314 1.826 20 5 BDBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])cc1 ZINC000168330478 134197913 /nfs/dbraw/zinc/19/79/13/134197913.db2.gz WWBCUMSFXORITA-VIFPVBQESA-N 1 0 223.276 1.862 20 5 BDBDRO C[C@@H]([NH2+][C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602259 358002517 /nfs/dbraw/zinc/00/25/17/358002517.db2.gz CALNQSQJIUGOOX-DTWKUNHWSA-N 1 0 224.260 1.626 20 5 BDBDRO [NH3+]C1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000147516484 181329703 /nfs/dbraw/zinc/32/97/03/181329703.db2.gz JOTIGTRMCMGTSK-UHFFFAOYSA-N 1 0 235.243 1.415 20 5 BDBDRO CC[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000037029879 361593516 /nfs/dbraw/zinc/59/35/16/361593516.db2.gz ASTQTRLRIJRREF-MRVPVSSYSA-N 1 0 237.259 1.579 20 5 BDBDRO Cc1c(NC(=O)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000037608286 364265254 /nfs/dbraw/zinc/26/52/54/364265254.db2.gz HEVNAYXLSKRSJV-ZETCQYMHSA-N 1 0 237.259 1.579 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCOC2)c1 ZINC000037738377 364558980 /nfs/dbraw/zinc/55/89/80/364558980.db2.gz WPEVMLZUNHPJHV-LLVKDONJSA-N 1 0 236.271 1.721 20 5 BDBDRO [NH3+]CCCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262471074 181371164 /nfs/dbraw/zinc/37/11/64/181371164.db2.gz NZIWTXSTWQPHCB-UHFFFAOYSA-N 1 0 249.270 1.223 20 5 BDBDRO CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394538 370869539 /nfs/dbraw/zinc/86/95/39/370869539.db2.gz ULTNALXRIDOELV-VIFPVBQESA-N 1 0 224.264 1.448 20 5 BDBDRO C[NH2+]CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081590479 370901838 /nfs/dbraw/zinc/90/18/38/370901838.db2.gz SWWAKOPMPKDDNA-UHFFFAOYSA-N 1 0 247.258 1.169 20 5 BDBDRO C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000600714929 371698933 /nfs/dbraw/zinc/69/89/33/371698933.db2.gz VOUTXSGIDMCPPJ-OUJBWJOFSA-N 1 0 249.314 1.996 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC1CC1 ZINC000602765438 371838824 /nfs/dbraw/zinc/83/88/24/371838824.db2.gz LQMHLUBKWRFLJK-UHFFFAOYSA-N 1 0 238.291 1.442 20 5 BDBDRO CC[C@@H](C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602788306 371840363 /nfs/dbraw/zinc/84/03/63/371840363.db2.gz PTJHCMNPVCWXLG-SECBINFHSA-N 1 0 240.307 1.830 20 5 BDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN ZINC000218197978 372080845 /nfs/dbraw/zinc/08/08/45/372080845.db2.gz OAUXTKHWBHEAKF-VIFPVBQESA-N 1 0 223.276 1.074 20 5 BDBDRO CN1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000040672419 373587106 /nfs/dbraw/zinc/58/71/06/373587106.db2.gz BIJPAKULYKZJFC-LBPRGKRZSA-N 1 0 249.314 1.779 20 5 BDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000071397037 182329850 /nfs/dbraw/zinc/32/98/50/182329850.db2.gz QCXXPHQKQKNFIG-VIFPVBQESA-N 1 0 249.270 1.077 20 5 BDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000034939021 182371836 /nfs/dbraw/zinc/37/18/36/182371836.db2.gz NYXDOHMIYFVMKI-SECBINFHSA-N 1 0 249.270 1.533 20 5 BDBDRO C[NH+](C)C1CN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000286413542 384310762 /nfs/dbraw/zinc/31/07/62/384310762.db2.gz GSLVRJBGNRQEHU-UHFFFAOYSA-N 1 0 239.250 1.484 20 5 BDBDRO C[C@H](CC[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000309453252 384300369 /nfs/dbraw/zinc/30/03/69/384300369.db2.gz OYWCYEBOXKVOEO-ZCFIWIBFSA-N 1 0 243.288 1.123 20 5 BDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000147888997 384534622 /nfs/dbraw/zinc/53/46/22/384534622.db2.gz VGEVCKPYMRJKBQ-VIFPVBQESA-N 1 0 249.270 1.029 20 5 BDBDRO C[C@H](NC[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423328056 384537330 /nfs/dbraw/zinc/53/73/30/384537330.db2.gz RWVMGNPONQGFQO-ZANVPECISA-N 1 0 249.314 1.983 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCO ZINC000565216250 384620408 /nfs/dbraw/zinc/62/04/08/384620408.db2.gz JMHATOFCGAMUCJ-JTQLQIEISA-N 1 0 222.244 1.164 20 5 BDBDRO C[C@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000310110372 385084422 /nfs/dbraw/zinc/08/44/22/385084422.db2.gz FHHWHZJBKZKZJW-MRVPVSSYSA-N 1 0 237.259 1.062 20 5 BDBDRO C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000085447346 385186426 /nfs/dbraw/zinc/18/64/26/385186426.db2.gz MBASVUCAMVACQA-SSDOTTSWSA-N 1 0 244.678 1.719 20 5 BDBDRO C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000120156570 385195218 /nfs/dbraw/zinc/19/52/18/385195218.db2.gz ZUODEKJYLCNNTF-GFCCVEGCSA-N 1 0 236.271 1.863 20 5 BDBDRO CC[NH2+]CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000085426999 385177100 /nfs/dbraw/zinc/17/71/00/385177100.db2.gz RCSMNUXQRALMOX-UHFFFAOYSA-N 1 0 224.264 1.320 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCOC1 ZINC000110514520 385242742 /nfs/dbraw/zinc/24/27/42/385242742.db2.gz PUFQYBZWGBZALD-NSHDSACASA-N 1 0 236.271 1.863 20 5 BDBDRO C[NH+](C)C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000265004665 385839681 /nfs/dbraw/zinc/83/96/81/385839681.db2.gz VVRPEZROANKIRM-NSHDSACASA-N 1 0 249.314 1.983 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN[C@H]1CCC[NH2+]CC1 ZINC000129211713 386066119 /nfs/dbraw/zinc/06/61/19/386066119.db2.gz CMRPKDBTONPCCT-LBPRGKRZSA-N 1 0 249.314 1.827 20 5 BDBDRO CCC[C@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267112888 386072656 /nfs/dbraw/zinc/07/26/56/386072656.db2.gz YBXBFHMDEDVHOZ-JTQLQIEISA-N 1 0 240.307 1.912 20 5 BDBDRO CCC[C@H](NC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000571991508 386345666 /nfs/dbraw/zinc/34/56/66/386345666.db2.gz COSWGZBXNYVGSC-ZDUSSCGKSA-N 1 0 249.314 1.997 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000052926368 386372278 /nfs/dbraw/zinc/37/22/78/386372278.db2.gz RWPRAYQJJGDINS-VXGBXAGGSA-N 1 0 236.271 1.598 20 5 BDBDRO Cc1nc(N(C)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124119807 386597468 /nfs/dbraw/zinc/59/74/68/386597468.db2.gz MRJNFLRTDSGLGP-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO CC(C)[C@@H]([NH3+])CNCc1cccc([N+](=O)[O-])c1 ZINC000414796221 386566555 /nfs/dbraw/zinc/56/65/55/386566555.db2.gz NXMRJCJHEUORRL-LBPRGKRZSA-N 1 0 237.303 1.668 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)C[NH3+] ZINC000414931817 386768746 /nfs/dbraw/zinc/76/87/46/386768746.db2.gz QXSCJAFKWYMTHB-SECBINFHSA-N 1 0 223.276 1.340 20 5 BDBDRO Cc1ccc(CN2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000346094860 386979162 /nfs/dbraw/zinc/97/91/62/386979162.db2.gz OFJSWXGNYSDWSX-LBPRGKRZSA-N 1 0 249.314 1.826 20 5 BDBDRO O=[N+]([O-])c1cccnc1NCC[C@H]1CC[NH2+]C1 ZINC000110797928 387068791 /nfs/dbraw/zinc/06/87/91/387068791.db2.gz RPLPOQXGUARJDU-SECBINFHSA-N 1 0 236.275 1.401 20 5 BDBDRO CC(C)([NH3+])CNCc1csc([N+](=O)[O-])c1 ZINC000414799720 387068901 /nfs/dbraw/zinc/06/89/01/387068901.db2.gz GUXBZPBERCTAJN-UHFFFAOYSA-N 1 0 229.305 1.483 20 5 BDBDRO CC[N@H+](CCO)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000269475028 387181790 /nfs/dbraw/zinc/18/17/90/387181790.db2.gz VJANDOQFQZVPAO-SNVBAGLBSA-N 1 0 238.287 1.970 20 5 BDBDRO CC[N@H+](C)CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000295632675 387328259 /nfs/dbraw/zinc/32/82/59/387328259.db2.gz XOSPJIYLDAKZAW-UHFFFAOYSA-N 1 0 239.279 1.057 20 5 BDBDRO C[C@@H](O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000075776782 387345571 /nfs/dbraw/zinc/34/55/71/387345571.db2.gz YQIMERVFKQMCHB-SNVBAGLBSA-N 1 0 238.287 1.798 20 5 BDBDRO C[C@H](C[NH3+])N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000347151242 387516622 /nfs/dbraw/zinc/51/66/22/387516622.db2.gz ZRSLJKGGCPLYCL-SECBINFHSA-N 1 0 223.276 1.374 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)C[NH3+] ZINC000054339265 387473704 /nfs/dbraw/zinc/47/37/04/387473704.db2.gz WDSGJPDJJSRTLT-MRVPVSSYSA-N 1 0 237.259 1.437 20 5 BDBDRO O=[N+]([O-])c1cccc(CNCC[C@H]2CCC[NH2+]2)c1 ZINC000414898453 387594414 /nfs/dbraw/zinc/59/44/14/387594414.db2.gz AKAPQRONOFMXGB-GFCCVEGCSA-N 1 0 249.314 1.827 20 5 BDBDRO C[C@@H](O)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000227962112 388375028 /nfs/dbraw/zinc/37/50/28/388375028.db2.gz PNFZZZQNWTZZBO-SNVBAGLBSA-N 1 0 238.287 1.845 20 5 BDBDRO C[C@@H](CCCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000094942174 388434604 /nfs/dbraw/zinc/43/46/04/388434604.db2.gz SXCIXTCAEXOEHN-JTQLQIEISA-N 1 0 238.287 1.845 20 5 BDBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000078489861 388681402 /nfs/dbraw/zinc/68/14/02/388681402.db2.gz ONMBOLSOPNCTJK-UHFFFAOYSA-N 1 0 238.287 1.798 20 5 BDBDRO CC[C@@H](N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422839541 388686693 /nfs/dbraw/zinc/68/66/93/388686693.db2.gz QMFJUPKNJODENC-WCQYABFASA-N 1 0 249.314 1.997 20 5 BDBDRO [NH3+]CC1(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000422908891 388687078 /nfs/dbraw/zinc/68/70/78/388687078.db2.gz NBZOZIOYDWLYQA-UHFFFAOYSA-N 1 0 249.270 1.662 20 5 BDBDRO CC[NH2+]CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423235735 388689851 /nfs/dbraw/zinc/68/98/51/388689851.db2.gz BABZSWLZLAKAKO-JTQLQIEISA-N 1 0 237.303 1.855 20 5 BDBDRO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000423431185 388693103 /nfs/dbraw/zinc/69/31/03/388693103.db2.gz LNRAEGVSHAILGW-HWNAMQAFSA-N 1 0 247.298 1.463 20 5 BDBDRO CN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000118288796 388728091 /nfs/dbraw/zinc/72/80/91/388728091.db2.gz AXFLGRULAHRLBU-UHFFFAOYSA-N 1 0 249.270 1.046 20 5 BDBDRO CC[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332644302 388793803 /nfs/dbraw/zinc/79/38/03/388793803.db2.gz BJICEPJVMPSENB-VIFPVBQESA-N 1 0 238.291 1.703 20 5 BDBDRO Cc1c(C[N@H+](C)CCCO)cccc1[N+](=O)[O-] ZINC000302464249 388844273 /nfs/dbraw/zinc/84/42/73/388844273.db2.gz PMHRIHGWVNFHBW-UHFFFAOYSA-N 1 0 238.287 1.717 20 5 BDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174817423 134283785 /nfs/dbraw/zinc/28/37/85/134283785.db2.gz BGNYGOWUCSKQOU-UHFFFAOYSA-N 1 0 224.264 1.276 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)C(F)F)c1 ZINC000226577812 134367167 /nfs/dbraw/zinc/36/71/67/134367167.db2.gz PVMWLVDHUYTSBO-SECBINFHSA-N 1 0 246.213 1.310 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH3+])C1 ZINC000158931520 134755543 /nfs/dbraw/zinc/75/55/43/134755543.db2.gz XWWPDINNOAMOJX-JTQLQIEISA-N 1 0 235.287 1.831 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]([NH3+])[C@H]1C ZINC000261545679 135150523 /nfs/dbraw/zinc/15/05/23/135150523.db2.gz GHGIPLCOLKGJQQ-ZJUUUORDSA-N 1 0 235.287 1.829 20 5 BDBDRO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccccc1[N+](=O)[O-] ZINC000261541569 135182318 /nfs/dbraw/zinc/18/23/18/135182318.db2.gz BJDABNQLDPJQOZ-KOLCDFICSA-N 1 0 235.287 1.516 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH3+])[C@H]1C ZINC000261542103 135182555 /nfs/dbraw/zinc/18/25/55/135182555.db2.gz BTYVUDSKYSDLIK-PSASIEDQSA-N 1 0 236.275 1.224 20 5 BDBDRO O=[N+]([O-])c1cc(CN[C@H]2CC[NH2+]C2)cs1 ZINC000261544842 135185979 /nfs/dbraw/zinc/18/59/79/135185979.db2.gz JFGKDJVBSOFJPJ-QMMMGPOBSA-N 1 0 227.289 1.108 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000261553021 135191653 /nfs/dbraw/zinc/19/16/53/135191653.db2.gz NPVHWOZIRLKRBA-GUBZILKMSA-N 1 0 237.303 1.981 20 5 BDBDRO C[C@@H]1[C@@H]([NH3+])CCN1c1c(F)cccc1[N+](=O)[O-] ZINC000261557470 135197511 /nfs/dbraw/zinc/19/75/11/135197511.db2.gz RTPASTYECUJGID-APPZFPTMSA-N 1 0 239.250 1.660 20 5 BDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000261575565 135216628 /nfs/dbraw/zinc/21/66/28/135216628.db2.gz NFQZTXWILMKARG-WCBMZHEXSA-N 1 0 249.270 1.157 20 5 BDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261582434 135223074 /nfs/dbraw/zinc/22/30/74/135223074.db2.gz RFABCGZOVCRCGW-KCJUWKMLSA-N 1 0 249.270 1.157 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc1 ZINC000261583430 135224210 /nfs/dbraw/zinc/22/42/10/135224210.db2.gz RSTJITYZXQZWAT-ONGXEEELSA-N 1 0 248.286 1.178 20 5 BDBDRO C[C@H]1C[NH2+]CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000261591649 135231730 /nfs/dbraw/zinc/23/17/30/135231730.db2.gz XXPXZCIUGYJJCF-CMPLNLGQSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@@H]1C[NH2+]CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000261591652 135231935 /nfs/dbraw/zinc/23/19/35/135231935.db2.gz XXPXZCIUGYJJCF-ZYHUDNBSSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@@H](NCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000261546757 135239290 /nfs/dbraw/zinc/23/92/90/135239290.db2.gz HFWQUYJGJMXSHP-SECBINFHSA-N 1 0 237.303 1.983 20 5 BDBDRO CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000263250487 135342714 /nfs/dbraw/zinc/34/27/14/135342714.db2.gz OMGYNXOYKFJQKL-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO CC[C@@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000077453209 135392458 /nfs/dbraw/zinc/39/24/58/135392458.db2.gz NHJSNQMFFVATSP-NSHDSACASA-N 1 0 238.287 1.845 20 5 BDBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000089092181 135529080 /nfs/dbraw/zinc/52/90/80/135529080.db2.gz NBETWDAKYLDQDC-IUCAKERBSA-N 1 0 236.275 1.529 20 5 BDBDRO CC(C)C1([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000292861459 166753170 /nfs/dbraw/zinc/75/31/70/166753170.db2.gz ATFRHUFYUUKDTH-UHFFFAOYSA-N 1 0 238.291 1.570 20 5 BDBDRO CC(C)[C@@H](C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331039908 167367806 /nfs/dbraw/zinc/36/78/06/167367806.db2.gz BUXQVACDHAEYOW-SECBINFHSA-N 1 0 240.307 1.805 20 5 BDBDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000092392758 167406858 /nfs/dbraw/zinc/40/68/58/167406858.db2.gz NCVJOLPXJISXPK-GFCCVEGCSA-N 1 0 238.287 1.701 20 5 BDBDRO CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000071312046 169912473 /nfs/dbraw/zinc/91/24/73/169912473.db2.gz OCHGCVWROCKMQH-ZDUSSCGKSA-N 1 0 249.314 1.779 20 5 BDBDRO CC[NH2+]CCNc1nccc(C)c1[N+](=O)[O-] ZINC000070062880 170116152 /nfs/dbraw/zinc/11/61/52/170116152.db2.gz MKZCYFJZIHGEIT-UHFFFAOYSA-N 1 0 224.264 1.320 20 5 BDBDRO CC[NH2+]CCNc1ccc([N+](=O)[O-])nc1 ZINC000054267266 170116774 /nfs/dbraw/zinc/11/67/74/170116774.db2.gz ISBZDXPQDQWHDG-UHFFFAOYSA-N 1 0 210.237 1.011 20 5 BDBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000021806188 172443525 /nfs/dbraw/zinc/44/35/25/172443525.db2.gz HJMLCGPNMFWONS-UHFFFAOYSA-N 1 0 223.276 1.958 20 5 BDBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000271603978 172497047 /nfs/dbraw/zinc/49/70/47/172497047.db2.gz IVSBMALJTORPJR-LLVKDONJSA-N 1 0 249.314 1.983 20 5 BDBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000037647753 173118114 /nfs/dbraw/zinc/11/81/14/173118114.db2.gz YQUCGJWTOCOIEO-JTQLQIEISA-N 1 0 235.287 1.958 20 5 BDBDRO C[NH2+]C(C)(C)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000269987027 173319327 /nfs/dbraw/zinc/31/93/27/173319327.db2.gz SPTXYTFQEJCPAH-UHFFFAOYSA-N 1 0 238.291 1.708 20 5 BDBDRO C[NH2+]CCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000037610698 173345250 /nfs/dbraw/zinc/34/52/50/173345250.db2.gz DYWKMVLYVWUNML-UHFFFAOYSA-N 1 0 237.259 1.533 20 5 BDBDRO COc1ccc(C[NH2+]C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000035604093 175107272 /nfs/dbraw/zinc/10/72/72/175107272.db2.gz YNFYMNUMMIELCL-MRVPVSSYSA-N 1 0 240.259 1.074 20 5 BDBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235358268 176318927 /nfs/dbraw/zinc/31/89/27/176318927.db2.gz SPWLHYPCFYNRRR-APPZFPTMSA-N 1 0 239.250 1.517 20 5 BDBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235377799 176320268 /nfs/dbraw/zinc/32/02/68/176320268.db2.gz CAPXKFAVKITMGB-BDAKNGLRSA-N 1 0 221.260 1.378 20 5 BDBDRO C[C@H]([NH2+]C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284254547 176828447 /nfs/dbraw/zinc/82/84/47/176828447.db2.gz VWAOGOIYHYAGBO-ZETCQYMHSA-N 1 0 221.260 1.990 20 5 BDBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266887639 177162625 /nfs/dbraw/zinc/16/26/25/177162625.db2.gz CLSPIIWSMXTBJJ-VIFPVBQESA-N 1 0 224.264 1.133 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](C)C1 ZINC000227534127 177275300 /nfs/dbraw/zinc/27/53/00/177275300.db2.gz SANIZMPPHDJHML-WDEREUQCSA-N 1 0 249.314 1.950 20 5 BDBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])cn1 ZINC000216208140 177324775 /nfs/dbraw/zinc/32/47/75/177324775.db2.gz VMZUUCDBQALTOF-IUCAKERBSA-N 1 0 236.275 1.163 20 5 BDBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1cccc([N+](=O)[O-])c1 ZINC000125813850 177361423 /nfs/dbraw/zinc/36/14/23/177361423.db2.gz JMZIWLJKDCSXLF-CMPLNLGQSA-N 1 0 249.314 1.764 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[NH+]2C3CCC2CC3)c1 ZINC000531342250 323087644 /nfs/dbraw/zinc/08/76/44/323087644.db2.gz WEWRVHQKXGLUPL-UHFFFAOYSA-N 1 0 236.275 1.418 20 5 BDBDRO COCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418413 323123841 /nfs/dbraw/zinc/12/38/41/323123841.db2.gz PCHHNDDLSISOII-NSHDSACASA-N 1 0 236.271 1.818 20 5 BDBDRO C[NH2+][C@@H](C)CNc1cccc(OC)c1[N+](=O)[O-] ZINC000261547432 536344987 /nfs/dbraw/zinc/34/49/87/536344987.db2.gz HZWDBPPBODTCIV-QMMMGPOBSA-N 1 0 239.275 1.623 20 5 BDBDRO C[NH2+]C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000261574244 536440111 /nfs/dbraw/zinc/44/01/11/536440111.db2.gz MPUHIWURBZYTHJ-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO CCC[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350670267 535629982 /nfs/dbraw/zinc/62/99/82/535629982.db2.gz QVKKNWUKMJRLEA-JTQLQIEISA-N 1 0 240.307 1.912 20 5 BDBDRO CN(CC[NH3+])c1c(F)cccc1[N+](=O)[O-] ZINC000261533806 536369060 /nfs/dbraw/zinc/36/90/60/536369060.db2.gz LGSMNXVMDXCUNH-UHFFFAOYSA-N 1 0 213.212 1.129 20 5 BDBDRO C[NH2+][C@H](C)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000261590920 536404357 /nfs/dbraw/zinc/40/43/57/536404357.db2.gz UVNCMCXRMMSTRU-SECBINFHSA-N 1 0 223.276 1.923 20 5 BDBDRO C[NH2+][C@H](C)CNc1cccc(C)c1[N+](=O)[O-] ZINC000261575747 536404312 /nfs/dbraw/zinc/40/43/12/536404312.db2.gz JVFRDIJOFNMXSQ-SECBINFHSA-N 1 0 223.276 1.923 20 5 BDBDRO CCS[C@@H]1CCCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791051742 583383595 /nfs/dbraw/zinc/38/35/95/583383595.db2.gz ICCKZFWUROVNRX-SNVBAGLBSA-N 1 0 232.349 1.871 20 5 BDBDRO CN1CC[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000895770019 583724268 /nfs/dbraw/zinc/72/42/68/583724268.db2.gz YHTXQGFHGNDCES-ZETCQYMHSA-N 1 0 240.238 1.245 20 5 BDBDRO C[N@@H+]1CC[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000895771214 583725206 /nfs/dbraw/zinc/72/52/06/583725206.db2.gz VILDCQAYMDFVTR-VIFPVBQESA-N 1 0 236.275 1.293 20 5 BDBDRO COCc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000899867698 584243913 /nfs/dbraw/zinc/24/39/13/584243913.db2.gz XSYWJDPCAVMEDX-UHFFFAOYSA-N 1 0 224.260 1.199 20 5 BDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])N1CCc2ccccc21 ZINC000899869644 584244676 /nfs/dbraw/zinc/24/46/76/584244676.db2.gz HXDAFGIQQLUTGP-LLVKDONJSA-N 1 0 249.314 1.304 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCCc1ccccc1 ZINC000899864572 584244868 /nfs/dbraw/zinc/24/48/68/584244868.db2.gz JCHBCDGWRFATKV-UHFFFAOYSA-N 1 0 222.288 1.876 20 5 BDBDRO CC(C)([NH3+])CCNCc1csc([N+](=O)[O-])c1 ZINC000903939379 584823903 /nfs/dbraw/zinc/82/39/03/584823903.db2.gz YWDHGRBAHGVYDI-UHFFFAOYSA-N 1 0 243.332 1.873 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)C2CC2)c1 ZINC000734163649 584959057 /nfs/dbraw/zinc/95/90/57/584959057.db2.gz DTMRTYRVRLATCY-LBPRGKRZSA-N 1 0 236.271 1.455 20 5 BDBDRO C[C@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562070 585926927 /nfs/dbraw/zinc/92/69/27/585926927.db2.gz IPKMLUAXCNABQG-SFYZADRCSA-N 1 0 239.275 1.208 20 5 BDBDRO O=[N+]([O-])CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000791052811 585972732 /nfs/dbraw/zinc/97/27/32/585972732.db2.gz DSSOFEJXOQNPKY-UHFFFAOYSA-N 1 0 241.335 1.071 20 5 BDBDRO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000791055811 585973570 /nfs/dbraw/zinc/97/35/70/585973570.db2.gz YVDPIBJRKVYIKB-MNOVXSKESA-N 1 0 238.291 1.043 20 5 BDBDRO CN(Cn1cc([N+](=O)[O-])cn1)C1CC(C)(C)C1 ZINC000840164179 586502071 /nfs/dbraw/zinc/50/20/71/586502071.db2.gz OGKMYYNMHDBXPI-UHFFFAOYSA-N 1 0 238.291 1.869 20 5 BDBDRO C[NH2+]CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817953230 586848766 /nfs/dbraw/zinc/84/87/66/586848766.db2.gz XRDLRSFOQMKREQ-QMMMGPOBSA-N 1 0 238.291 1.047 20 5 BDBDRO [NH3+][C@@H]1C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823269664 587212719 /nfs/dbraw/zinc/21/27/19/587212719.db2.gz JTPFPXQTOFMRRG-CRCLSJGQSA-N 1 0 236.187 1.052 20 5 BDBDRO C/C=C/C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863582648 589301757 /nfs/dbraw/zinc/30/17/57/589301757.db2.gz PXMUOHDSXVPIIL-QAVQXKDTSA-N 1 0 236.271 1.794 20 5 BDBDRO C[C@H]([NH2+]CCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872016685 589856271 /nfs/dbraw/zinc/85/62/71/589856271.db2.gz MQDDBWNGEKCMSX-QMMMGPOBSA-N 1 0 242.250 1.767 20 5 BDBDRO C[C@@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016322 589856337 /nfs/dbraw/zinc/85/63/37/589856337.db2.gz IDFXZOZIPJGRHP-HTQZYQBOSA-N 1 0 242.250 1.765 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCCC2)c1 ZINC000124600556 590061442 /nfs/dbraw/zinc/06/14/42/590061442.db2.gz XBCZSTWCSNNNCJ-UHFFFAOYSA-N 1 0 224.264 1.324 20 5 BDBDRO CC[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876888387 590254122 /nfs/dbraw/zinc/25/41/22/590254122.db2.gz RCDONKQZEVNGMZ-XNWIYYODSA-N 1 0 238.291 1.883 20 5 BDBDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1[N+](=O)[O-] ZINC000880420570 591028418 /nfs/dbraw/zinc/02/84/18/591028418.db2.gz JPNKDCQRCLYXFS-DGCLKSJQSA-N 1 0 248.282 1.470 20 5 BDBDRO CCC([NH3+])(CC)CNc1ccc([N+](=O)[O-])nc1 ZINC000130063442 591434470 /nfs/dbraw/zinc/43/44/70/591434470.db2.gz FGXKIIFNGAFOCB-UHFFFAOYSA-N 1 0 238.291 1.919 20 5 BDBDRO Cc1cnc(N2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000131999751 591682331 /nfs/dbraw/zinc/68/23/31/591682331.db2.gz WNIQCFYBEYTKLD-SECBINFHSA-N 1 0 236.275 1.226 20 5 BDBDRO CCN(Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885951495 592113504 /nfs/dbraw/zinc/11/35/04/592113504.db2.gz JRNTYCKSGWVXJL-UHFFFAOYSA-N 1 0 221.260 1.974 20 5 BDBDRO CSC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000931377623 634379829 /nfs/dbraw/zinc/37/98/29/634379829.db2.gz PKTCJANLABQMBE-UHFFFAOYSA-N 1 0 204.295 1.091 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCc2c1cccc2F ZINC000899873042 637148507 /nfs/dbraw/zinc/14/85/07/637148507.db2.gz GWDCLIUMHCPPBE-NSHDSACASA-N 1 0 224.235 1.679 20 5 BDBDRO C[C@@H](Cc1cccs1)[NH2+]CC[N+](=O)[O-] ZINC000905037148 637557310 /nfs/dbraw/zinc/55/73/10/637557310.db2.gz WDZOOCGXZYFBSD-QMMMGPOBSA-N 1 0 214.290 1.545 20 5 BDBDRO CN1CCCc2cc(C[NH2+]CC[N+](=O)[O-])ccc21 ZINC000905077311 637577269 /nfs/dbraw/zinc/57/72/69/637577269.db2.gz WVIAUTZCXVWTMO-UHFFFAOYSA-N 1 0 249.314 1.435 20 5 BDBDRO CC[NH+](CC)[C@@H](CNCC[N+](=O)[O-])CC(C)C ZINC000905112811 637617378 /nfs/dbraw/zinc/61/73/78/637617378.db2.gz XBGNANYSSHKFKW-GFCCVEGCSA-N 1 0 245.367 1.609 20 5 BDBDRO CS[C@@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905123103 637628462 /nfs/dbraw/zinc/62/84/62/637628462.db2.gz GQJLJKPQPIWPMX-RKDXNWHRSA-N 1 0 218.322 1.527 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1cccc(F)c1 ZINC000905126037 637642521 /nfs/dbraw/zinc/64/25/21/637642521.db2.gz CGTJAFCMEUQVTD-UHFFFAOYSA-N 1 0 240.278 1.970 20 5 BDBDRO CS[C@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905132900 637643925 /nfs/dbraw/zinc/64/39/25/637643925.db2.gz BZQLRQXHKCPPGK-YUMQZZPRSA-N 1 0 204.295 1.137 20 5 BDBDRO C[C@]1(c2ccccc2)C[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905135220 637644676 /nfs/dbraw/zinc/64/46/76/637644676.db2.gz JBICYVLJCJYRKX-NWDGAFQWSA-N 1 0 220.272 1.583 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1cc(F)ccc1F ZINC000905143324 637651915 /nfs/dbraw/zinc/65/19/15/637651915.db2.gz ACILLXWPUNCXFH-UHFFFAOYSA-N 1 0 230.214 1.374 20 5 BDBDRO C[C@H](O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905147166 637657640 /nfs/dbraw/zinc/65/76/40/637657640.db2.gz JKNOYRSDFNMBJA-VIFPVBQESA-N 1 0 224.260 1.106 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000905191037 637670374 /nfs/dbraw/zinc/67/03/74/637670374.db2.gz RLPLDXGQQJQTHM-UHFFFAOYSA-N 1 0 239.231 1.004 20 5 BDBDRO CCC(CC)[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905201355 637693686 /nfs/dbraw/zinc/69/36/86/637693686.db2.gz IFKPGTSKYXVXON-NWDGAFQWSA-N 1 0 244.335 1.837 20 5 BDBDRO C[C@]1(C[NH2+]CC[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000905214893 637699318 /nfs/dbraw/zinc/69/93/18/637699318.db2.gz KUARZGDENIHQQK-GHMZBOCLSA-N 1 0 228.292 1.058 20 5 BDBDRO C[C@@H]1CC(CC[NH2+]CC[N+](=O)[O-])C[C@@H](C)O1 ZINC000905251982 637710411 /nfs/dbraw/zinc/71/04/11/637710411.db2.gz BFBGXAXSTLDRPL-NXEZZACHSA-N 1 0 230.308 1.446 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccccn2)CCC1 ZINC000905258513 637714516 /nfs/dbraw/zinc/71/45/16/637714516.db2.gz XRCVBLPSZNGZDJ-UHFFFAOYSA-N 1 0 235.287 1.370 20 5 BDBDRO COCC1(C[NH2+]CC[N+](=O)[O-])CCCC1 ZINC000905280485 637735121 /nfs/dbraw/zinc/73/51/21/637735121.db2.gz OAANOTRRYPGEOB-UHFFFAOYSA-N 1 0 216.281 1.060 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000905655784 637872085 /nfs/dbraw/zinc/87/20/85/637872085.db2.gz PYCLQXRHFFDRHG-CYBMUJFWSA-N 1 0 234.299 1.800 20 5 BDBDRO C[C@H](O)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000905642264 637880616 /nfs/dbraw/zinc/88/06/16/637880616.db2.gz GRNRSFHXICJAFB-ZJUUUORDSA-N 1 0 238.287 1.669 20 5 BDBDRO Cc1nn(C[C@@H]2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000905734915 637903247 /nfs/dbraw/zinc/90/32/47/637903247.db2.gz YMWRRKHSEDEWLM-BDAKNGLRSA-N 1 0 224.264 1.227 20 5 BDBDRO C[C@@H]1CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905975842 637993411 /nfs/dbraw/zinc/99/34/11/637993411.db2.gz VVPACXGJKYVUNZ-SKDRFNHKSA-N 1 0 236.271 1.722 20 5 BDBDRO C[C@H]1CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905975840 637993780 /nfs/dbraw/zinc/99/37/80/637993780.db2.gz VVPACXGJKYVUNZ-CABZTGNLSA-N 1 0 236.271 1.722 20 5 BDBDRO C[C@@H]1CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905975839 637994083 /nfs/dbraw/zinc/99/40/83/637994083.db2.gz VVPACXGJKYVUNZ-BXKDBHETSA-N 1 0 236.271 1.722 20 5 BDBDRO C[NH2+]CCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000043473350 638397259 /nfs/dbraw/zinc/39/72/59/638397259.db2.gz JBEOLHZGHZSJOF-UHFFFAOYSA-N 1 0 228.223 1.722 20 5 BDBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930456517 639758768 /nfs/dbraw/zinc/75/87/68/639758768.db2.gz VDJABHDSXGKEJE-WDEREUQCSA-N 1 0 230.308 1.279 20 5 BDBDRO CC(C)[C@@H]1C[N@H+](CC[N+](=O)[O-])CCCO1 ZINC000930589292 639814858 /nfs/dbraw/zinc/81/48/58/639814858.db2.gz LLKQGMJARRELSJ-JTQLQIEISA-N 1 0 216.281 1.010 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000930810012 639913921 /nfs/dbraw/zinc/91/39/21/639913921.db2.gz FEOMQZSVCQIYLM-WDEREUQCSA-N 1 0 228.292 1.154 20 5 BDBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CC[N+](=O)[O-])C1 ZINC000931021487 640025734 /nfs/dbraw/zinc/02/57/34/640025734.db2.gz KLEXKJXMCJSJMB-NXEZZACHSA-N 1 0 200.282 1.774 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000931562188 640275876 /nfs/dbraw/zinc/27/58/76/640275876.db2.gz ARNRRLFIRUVKPN-JTQLQIEISA-N 1 0 228.292 1.345 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000931612849 640286348 /nfs/dbraw/zinc/28/63/48/640286348.db2.gz VHNAEGCXMCYQON-CQSZACIVSA-N 1 0 246.310 1.853 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCOCC2)cc1 ZINC000036308527 640471536 /nfs/dbraw/zinc/47/15/36/640471536.db2.gz NLKSQAJHQDHUSB-UHFFFAOYSA-N 1 0 236.271 1.863 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933089782 640667901 /nfs/dbraw/zinc/66/79/01/640667901.db2.gz WKKPOZIVTMFELU-LBPRGKRZSA-N 1 0 242.319 1.402 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933876859 640779728 /nfs/dbraw/zinc/77/97/28/640779728.db2.gz OELDYCJXIYJFAC-SNVBAGLBSA-N 1 0 228.292 1.345 20 5 BDBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CC[N+](=O)[O-])C1 ZINC000929706254 641411104 /nfs/dbraw/zinc/41/11/04/641411104.db2.gz ZYJGZNVVWUZCKO-NXEZZACHSA-N 1 0 200.282 1.774 20 5 BDBDRO Cc1c(CN(C)C2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000090290319 641423807 /nfs/dbraw/zinc/42/38/07/641423807.db2.gz CYUOJOWUUWDHHW-UHFFFAOYSA-N 1 0 235.287 1.307 20 5 BDBDRO Cc1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000090322937 641426291 /nfs/dbraw/zinc/42/62/91/641426291.db2.gz SMXCTJFJBCSRBU-QWRGUYRKSA-N 1 0 247.298 1.559 20 5 BDBDRO CC(C)C[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 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C[C@@H]1C[NH2+][C@@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC000086471142 644466706 /nfs/dbraw/zinc/46/67/06/644466706.db2.gz OXVFHNUVJBSUOD-VHSXEESVSA-N 1 0 235.287 1.781 20 5 BDBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086471141 644467178 /nfs/dbraw/zinc/46/71/78/644467178.db2.gz OXVFHNUVJBSUOD-ZJUUUORDSA-N 1 0 235.287 1.781 20 5 BDBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929522777 646170182 /nfs/dbraw/zinc/17/01/82/646170182.db2.gz ASPOIDKKZSROEL-VIFPVBQESA-N 1 0 200.282 1.774 20 5 BDBDRO CN(CC[N+](=O)[O-])Cc1cccc(O)c1 ZINC000929778244 646305639 /nfs/dbraw/zinc/30/56/39/646305639.db2.gz RTIFSGPFZCSWJA-UHFFFAOYSA-N 1 0 210.233 1.101 20 5 BDBDRO O=[N+]([O-])CCN1CC[NH+](C2CCCCC2)CC1 ZINC000929845966 646356294 /nfs/dbraw/zinc/35/62/94/646356294.db2.gz NGFWMQDXQNQGCD-UHFFFAOYSA-N 1 0 241.335 1.213 20 5 BDBDRO C[C@@H]1CCC[C@](CNCC[N+](=O)[O-])([NH+](C)C)C1 ZINC000899872618 711803714 /nfs/dbraw/zinc/80/37/14/711803714.db2.gz CQADIYSSFBXOQZ-NEPJUHHUSA-N 1 0 243.351 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IDKZRPJWQXLXEC-GWCFXTLKSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@H]1COc1ccc([N+](=O)[O-])cc1 ZINC000721079777 712889990 /nfs/dbraw/zinc/88/99/90/712889990.db2.gz BQLXAFLNIYXZPS-ZJUUUORDSA-N 1 0 236.271 1.829 20 5 BDBDRO CC1=C(OCCC[N+](C)(C)C)C(=O)O[C@H]1C ZINC001224622406 964810876 /nfs/dbraw/zinc/81/08/76/964810876.db2.gz GLJNPADUFFGMLU-JTQLQIEISA-N 1 0 228.312 1.319 20 5 BDBDRO CCOC(=O)[C@@H]1CCC[C@H]1OCC[N+](C)(C)C ZINC001224771725 964934971 /nfs/dbraw/zinc/93/49/71/964934971.db2.gz RAQFLUZGKODUHO-VXGBXAGGSA-N 1 0 244.355 1.441 20 5 BDBDRO O=[N+]([O-])C[C@H](OCC[NH+]1CCCCC1)C1CC1 ZINC001206709392 966156581 /nfs/dbraw/zinc/15/65/81/966156581.db2.gz JBLWUYHNVHNPJL-LBPRGKRZSA-N 1 0 242.319 1.544 20 5 BDBDRO CC1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168965311 969318340 /nfs/dbraw/zinc/31/83/40/969318340.db2.gz ZOGMEDBVUTWZPN-VHSXEESVSA-N 1 0 212.293 1.822 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001168967382 969321695 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COc1cccc([N+](=O)[O-])c1O[C@H]1CC[NH2+]C1 ZINC001218180196 971614586 /nfs/dbraw/zinc/61/45/86/971614586.db2.gz MDBIPZHEUWXAQE-QMMMGPOBSA-N 1 0 238.243 1.344 20 5 BDBDRO O=[N+]([O-])c1cc(F)cc(F)c1O[C@H]1CC[NH2+]C1 ZINC001218183078 971618524 /nfs/dbraw/zinc/61/85/24/971618524.db2.gz KTNTYJPSTADZPT-ZETCQYMHSA-N 1 0 244.197 1.614 20 5 BDBDRO C[C@@H]([NH3+])CCNc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001170891136 972046644 /nfs/dbraw/zinc/04/66/44/972046644.db2.gz PILMXIYNEIWORE-MRVPVSSYSA-N 1 0 249.274 1.392 20 5 BDBDRO Cc1cc(C[NH3+])nn1-c1ncc(C)cc1[N+](=O)[O-] ZINC001156038290 963230785 /nfs/dbraw/zinc/23/07/85/963230785.db2.gz JYNNIAWZZQDHDT-UHFFFAOYSA-N 1 0 247.258 1.251 20 5 BDBDRO [NH3+][C@@H]1CCN(c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001156224740 963290243 /nfs/dbraw/zinc/29/02/43/963290243.db2.gz ZEOGUUXLKXQNNN-ZCFIWIBFSA-N 1 0 242.666 1.181 20 5 BDBDRO CCOc1nc(NCC[NH2+]C)ccc1[N+](=O)[O-] ZINC001156893492 963482738 /nfs/dbraw/zinc/48/27/38/963482738.db2.gz HFFGHVFPJPNSIM-UHFFFAOYSA-N 1 0 240.263 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1.297 20 5 BDBDRO Cc1cnc(SCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001162812697 965194228 /nfs/dbraw/zinc/19/42/28/965194228.db2.gz QQGMOXNGPBVKTJ-UHFFFAOYSA-N 1 0 241.316 1.952 20 5 BDBDRO C[NH2+]C1CN(c2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001163700895 965515637 /nfs/dbraw/zinc/51/56/37/965515637.db2.gz CORPIPBVZUNTGC-UHFFFAOYSA-N 1 0 242.666 1.051 20 5 BDBDRO C[C@H](C[NH+](C)C)Nc1cnc(F)c([N+](=O)[O-])c1 ZINC001163782734 965585899 /nfs/dbraw/zinc/58/58/99/965585899.db2.gz PMMXIZQAOLSOMQ-SSDOTTSWSA-N 1 0 242.254 1.491 20 5 BDBDRO [NH3+][C@H]1CCN(c2cnc(Cl)cc2[N+](=O)[O-])C1 ZINC001164279899 965824668 /nfs/dbraw/zinc/82/46/68/965824668.db2.gz VMFWSYPNFJONBC-LURJTMIESA-N 1 0 242.666 1.181 20 5 BDBDRO [NH3+]CCON=c1cc[nH]c2c1cccc2[N+](=O)[O-] ZINC001164436073 965882092 /nfs/dbraw/zinc/88/20/92/965882092.db2.gz VGFUFIOSEZGFRR-UHFFFAOYSA-N 1 0 248.242 1.445 20 5 BDBDRO Cc1cnc(N2CCC[C@H]3[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001165387411 966082504 /nfs/dbraw/zinc/08/25/04/966082504.db2.gz NFWMDNWBJOSSDI-KOLCDFICSA-N 1 0 248.286 1.239 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001165388413 966084192 /nfs/dbraw/zinc/08/41/92/966084192.db2.gz WKDVMIIDWRPTAZ-MNOVXSKESA-N 1 0 248.286 1.239 20 5 BDBDRO Cc1c(C)c(N(C)C2C[NH2+]C2)ncc1[N+](=O)[O-] ZINC001166978573 966500746 /nfs/dbraw/zinc/50/07/46/966500746.db2.gz RZYZDXUMOUDOSR-UHFFFAOYSA-N 1 0 236.275 1.015 20 5 BDBDRO Cc1nc(N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000169015613 966597941 /nfs/dbraw/zinc/59/79/41/966597941.db2.gz KTSCLTQEGDXILA-MRVPVSSYSA-N 1 0 238.291 1.660 20 5 BDBDRO C[C@@]1(O)C[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168975982 969296748 /nfs/dbraw/zinc/29/67/48/969296748.db2.gz XXHYMYABLSFKHO-FIQHERPVSA-N 1 0 242.319 1.182 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCC2COC2)C1 ZINC001168976978 969296885 /nfs/dbraw/zinc/29/68/85/969296885.db2.gz GLRMMWYLHJFWGW-KOLCDFICSA-N 1 0 228.292 1.058 20 5 BDBDRO C[C@H]([NH3+])c1ccn([C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 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Cc1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](C)C1 ZINC001226968585 975195098 /nfs/dbraw/zinc/19/50/98/975195098.db2.gz GYJNVHBNMJSLPY-SNVBAGLBSA-N 1 0 236.271 1.986 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(O)cc1 ZINC001227442530 975415252 /nfs/dbraw/zinc/41/52/52/975415252.db2.gz NOOBQFMPYQTTAW-JTQLQIEISA-O 1 0 210.297 1.866 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2ccncc21 ZINC001228635710 976392736 /nfs/dbraw/zinc/39/27/36/976392736.db2.gz BQTNKSBBQMALEC-SNVBAGLBSA-N 1 0 247.322 1.498 20 5 BDBDRO C[C@@H](C[NH+](C)C)Oc1cnccc1[N+](=O)[O-] ZINC001228880311 976548642 /nfs/dbraw/zinc/54/86/42/976548642.db2.gz TVAJRYXYPYYSEA-QMMMGPOBSA-N 1 0 225.248 1.319 20 5 BDBDRO C[N@@H+]1CC[C@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228880047 976549599 /nfs/dbraw/zinc/54/95/99/976549599.db2.gz PTJBKLNUCDMTRV-QMMMGPOBSA-N 1 0 223.232 1.073 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1CNC2=O ZINC001228900351 976567359 /nfs/dbraw/zinc/56/73/59/976567359.db2.gz ICFVYCRJHDUTMZ-JTQLQIEISA-O 1 0 249.334 1.404 20 5 BDBDRO Cc1cc(NC(=O)C2([NH3+])CCC2)cc([N+](=O)[O-])c1 ZINC001342896605 979931677 /nfs/dbraw/zinc/93/16/77/979931677.db2.gz GKRRMZSVBYVDAM-UHFFFAOYSA-N 1 0 249.270 1.723 20 5 BDBDRO C[C@@H](Cc1cccs1)[N@H+](C)CC[N+](=O)[O-] ZINC001191464051 981050915 /nfs/dbraw/zinc/05/09/15/981050915.db2.gz JHBUTAMUMFAAPM-VIFPVBQESA-N 1 0 228.317 1.888 20 5 BDBDRO CC1(C)CCC(O)(C[NH2+]CC[N+](=O)[O-])CC1 ZINC001353309294 982832054 /nfs/dbraw/zinc/83/20/54/982832054.db2.gz DWJQQJLSEBOTJW-UHFFFAOYSA-N 1 0 230.308 1.184 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CC1 ZINC001355305929 983464483 /nfs/dbraw/zinc/46/44/83/983464483.db2.gz OFTBANJKFBQZEX-UHFFFAOYSA-N 1 0 249.270 1.124 20 5 BDBDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000688049047 985531669 /nfs/dbraw/zinc/53/16/69/985531669.db2.gz PFLOLAOFWISSIG-GXSJLCMTSA-N 1 0 236.271 1.719 20 5 BDBDRO Cc1cc(NC[C@H](C)C[NH3+])c([N+](=O)[O-])s1 ZINC001579636197 986156653 /nfs/dbraw/zinc/15/66/53/986156653.db2.gz VUSGRWGBNSKBIR-ZCFIWIBFSA-N 1 0 229.305 1.971 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001119668817 989314295 /nfs/dbraw/zinc/31/42/95/989314295.db2.gz XHZZEDOUKSPVPS-MNOVXSKESA-N 1 0 212.293 1.775 20 5 BDBDRO CCc1cnccc1[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC001119808502 989415615 /nfs/dbraw/zinc/41/56/15/989415615.db2.gz WETPIBOIMAYDJU-VIFPVBQESA-N 1 0 223.276 1.571 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCc2ccccc21 ZINC001120378228 989646502 /nfs/dbraw/zinc/64/65/02/989646502.db2.gz XFTNDXWCCRDXHU-NSHDSACASA-N 1 0 220.272 1.583 20 5 BDBDRO Cc1cc(C(=O)NCC2([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC001122349392 990352354 /nfs/dbraw/zinc/35/23/54/990352354.db2.gz QCRLYCOCBPQASU-UHFFFAOYSA-N 1 0 249.270 1.124 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCOCc1ccccc1 ZINC001262481290 992889024 /nfs/dbraw/zinc/88/90/24/992889024.db2.gz NKDXNDUNHBHGKG-UHFFFAOYSA-N 1 0 238.287 1.460 20 5 BDBDRO Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000235389683 178121109 /nfs/dbraw/zinc/12/11/09/178121109.db2.gz XONBTKGWOXRNJP-BDAKNGLRSA-N 1 0 236.275 1.082 20 5 BDBDRO C[NH+]1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000037248581 361777203 /nfs/dbraw/zinc/77/72/03/361777203.db2.gz HWHHMVLTGSGULY-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO Cc1ccc(C[NH2+]C(C)(C)CO)cc1[N+](=O)[O-] ZINC000037239044 361761888 /nfs/dbraw/zinc/76/18/88/361761888.db2.gz QZPZFSOHGHBHFZ-UHFFFAOYSA-N 1 0 238.287 1.764 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCCO ZINC000193253338 178270716 /nfs/dbraw/zinc/27/07/16/178270716.db2.gz XRHRYSDJZNJPKK-UHFFFAOYSA-N 1 0 238.287 1.765 20 5 BDBDRO C[NH+](C)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000304391011 342834853 /nfs/dbraw/zinc/83/48/53/342834853.db2.gz SXTNWXHJZSOVIX-UHFFFAOYSA-N 1 0 244.682 1.617 20 5 BDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000134841824 342898527 /nfs/dbraw/zinc/89/85/27/342898527.db2.gz OACFFFSVVWUESY-UHFFFAOYSA-N 1 0 238.287 1.798 20 5 BDBDRO C[NH2+]CCCOc1cc(C)ccc1[N+](=O)[O-] ZINC000020525423 398322871 /nfs/dbraw/zinc/32/28/71/398322871.db2.gz DOVZTLDSRNDFME-UHFFFAOYSA-N 1 0 224.260 1.892 20 5 BDBDRO [NH3+]C[C@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000133238736 398323930 /nfs/dbraw/zinc/32/39/30/398323930.db2.gz HRDUVEZLJNEHGX-SECBINFHSA-N 1 0 241.316 1.579 20 5 BDBDRO Cc1c(C[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000061708264 398343594 /nfs/dbraw/zinc/34/35/94/398343594.db2.gz JUEFAVHRKUZMNY-NSHDSACASA-N 1 0 236.271 1.470 20 5 BDBDRO C[C@H](C[NH3+])N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000235459343 259343983 /nfs/dbraw/zinc/34/39/83/259343983.db2.gz BNCNDUCLHWYKMW-BDAKNGLRSA-N 1 0 223.276 1.593 20 5 BDBDRO CC(C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394587 187224655 /nfs/dbraw/zinc/22/46/55/187224655.db2.gz UPWINEXVZHVIJI-JTQLQIEISA-N 1 0 238.291 1.837 20 5 BDBDRO CN(Cc1csc([N+](=O)[O-])c1)C(C)(C)CO ZINC000609894970 343115224 /nfs/dbraw/zinc/11/52/24/343115224.db2.gz TWNYFXQWIUCMAB-UHFFFAOYSA-N 1 0 244.316 1.859 20 5 BDBDRO Cc1ccc(C[NH2+][C@H](C)CO)cc1[N+](=O)[O-] ZINC000037258319 343341619 /nfs/dbraw/zinc/34/16/19/343341619.db2.gz CTINPSMKNCXUQL-SECBINFHSA-N 1 0 224.260 1.374 20 5 BDBDRO CC(C)[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000049825390 187270099 /nfs/dbraw/zinc/27/00/99/187270099.db2.gz SKFLYNKBZUSVES-UHFFFAOYSA-N 1 0 238.287 1.798 20 5 BDBDRO C[C@H](CNc1ccncc1[N+](=O)[O-])[NH+](C)C ZINC000038089187 343967020 /nfs/dbraw/zinc/96/70/20/343967020.db2.gz OQVLMTWXAUTWRG-MRVPVSSYSA-N 1 0 224.264 1.352 20 5 BDBDRO C[C@@H](C1CC1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176218080 344382887 /nfs/dbraw/zinc/38/28/87/344382887.db2.gz IPEPBMSHIDJTLZ-VIFPVBQESA-N 1 0 238.291 1.522 20 5 BDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000092950971 344485597 /nfs/dbraw/zinc/48/55/97/344485597.db2.gz HYLWILKCLKOUJC-KCJUWKMLSA-N 1 0 249.270 1.531 20 5 BDBDRO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000381350407 344496312 /nfs/dbraw/zinc/49/63/12/344496312.db2.gz HVEWGGJGCXXTPB-JGVFFNPUSA-N 1 0 237.259 1.060 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[NH2+]2)nc1 ZINC000044493090 345096034 /nfs/dbraw/zinc/09/60/34/345096034.db2.gz JZMPIPZOFKEWCE-SECBINFHSA-N 1 0 236.275 1.544 20 5 BDBDRO CC[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000591758051 347692150 /nfs/dbraw/zinc/69/21/50/347692150.db2.gz RQUWSNPBJDNXAE-GFCCVEGCSA-N 1 0 238.287 1.498 20 5 BDBDRO O=[N+]([O-])c1cc(F)cc(OCC2C[NH2+]C2)c1 ZINC000592159105 347745961 /nfs/dbraw/zinc/74/59/61/347745961.db2.gz BRSMBKVWUQFFHG-UHFFFAOYSA-N 1 0 226.207 1.332 20 5 BDBDRO O=[N+]([O-])c1cc(CO)cc(C2=CC[NH2+]CC2)c1 ZINC000592988654 347837196 /nfs/dbraw/zinc/83/71/96/347837196.db2.gz MVNZMCWLYCROPS-UHFFFAOYSA-N 1 0 234.255 1.464 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CCF)cc1 ZINC000593689170 347927688 /nfs/dbraw/zinc/92/76/88/347927688.db2.gz KGMWUBHWJFYITC-JTQLQIEISA-N 1 0 242.250 1.405 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000594998872 348168608 /nfs/dbraw/zinc/16/86/08/348168608.db2.gz KFPKCIJSRSDMTA-HOMQSWHASA-N 1 0 222.244 1.208 20 5 BDBDRO C[C@@H]([NH2+]C/C=C/CO)c1cccc([N+](=O)[O-])c1 ZINC000595073204 348188726 /nfs/dbraw/zinc/18/87/26/348188726.db2.gz SZXGTYPUNLCOHV-VMZHVLLKSA-N 1 0 236.271 1.794 20 5 BDBDRO C[C@@H]([NH2+]C/C=C/CO)c1ccc([N+](=O)[O-])cc1 ZINC000595073151 348188739 /nfs/dbraw/zinc/18/87/39/348188739.db2.gz SKJZGROZCHVMGL-VMZHVLLKSA-N 1 0 236.271 1.794 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C/C=C/CO ZINC000595071628 348188839 /nfs/dbraw/zinc/18/88/39/348188839.db2.gz POZBBLOBZZAZCP-ISUDXETCSA-N 1 0 248.282 1.720 20 5 BDBDRO C[NH2+]C[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000596103125 348439369 /nfs/dbraw/zinc/43/93/69/348439369.db2.gz ANTSSZVASMVHGA-SECBINFHSA-N 1 0 223.276 1.292 20 5 BDBDRO C[NH+](C)CC1CN(c2ccccc2[N+](=O)[O-])C1 ZINC000596247432 348486876 /nfs/dbraw/zinc/48/68/76/348486876.db2.gz OOAYQLUFFROPNZ-UHFFFAOYSA-N 1 0 235.287 1.593 20 5 BDBDRO C[C@@H](CCNc1c([N+](=O)[O-])ncn1C)[NH+](C)C ZINC000596424287 348528585 /nfs/dbraw/zinc/52/85/85/348528585.db2.gz GETIXJGLNRHZFT-QMMMGPOBSA-N 1 0 241.295 1.080 20 5 BDBDRO C[C@H](Nc1cccnc1[N+](=O)[O-])c1nccn1C ZINC000596544163 348584382 /nfs/dbraw/zinc/58/43/82/348584382.db2.gz RTCSXAIVJLCJOM-QMMMGPOBSA-N 1 0 247.258 1.896 20 5 BDBDRO CC1(C)CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000563368500 350825481 /nfs/dbraw/zinc/82/54/81/350825481.db2.gz WQDYHWXJYNIYTM-SECBINFHSA-N 1 0 238.291 1.570 20 5 BDBDRO O=[N+]([O-])c1ccc(OCC[C@H]2CC[NH2+]C2)cc1 ZINC000122473911 363024522 /nfs/dbraw/zinc/02/45/22/363024522.db2.gz IITZSZHHIQJSHX-SNVBAGLBSA-N 1 0 236.271 1.973 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccno2)cc1 ZINC000231896557 351442792 /nfs/dbraw/zinc/44/27/92/351442792.db2.gz QJTMPCYTTRZIBI-UHFFFAOYSA-N 1 0 247.254 1.915 20 5 BDBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](C)O ZINC000386754147 363038740 /nfs/dbraw/zinc/03/87/40/363038740.db2.gz HDDLCANKWWOCQT-IONNQARKSA-N 1 0 244.316 1.905 20 5 BDBDRO CC(C)([NH3+])CNc1ncccc1[N+](=O)[O-] ZINC000096470176 188017150 /nfs/dbraw/zinc/01/71/50/188017150.db2.gz NICSLGFAFFARRN-UHFFFAOYSA-N 1 0 210.237 1.139 20 5 BDBDRO C[NH2+]CCCNCc1csc([N+](=O)[O-])c1 ZINC000414857300 191601755 /nfs/dbraw/zinc/60/17/55/191601755.db2.gz CNYLMGUDKMCSLQ-UHFFFAOYSA-N 1 0 229.305 1.355 20 5 BDBDRO [NH3+][C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430601158 191693673 /nfs/dbraw/zinc/69/36/73/191693673.db2.gz IXYLLPRFYZADBF-QMMMGPOBSA-N 1 0 239.250 1.267 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC1CC[NH2+]CC1 ZINC000583562889 355613638 /nfs/dbraw/zinc/61/36/38/355613638.db2.gz ROQPPVATUNWKBS-UHFFFAOYSA-N 1 0 224.264 1.099 20 5 BDBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000384079562 356241077 /nfs/dbraw/zinc/24/10/77/356241077.db2.gz SOSWOVOWDPPZKN-SSDOTTSWSA-N 1 0 241.247 1.045 20 5 BDBDRO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000088058675 356468481 /nfs/dbraw/zinc/46/84/81/356468481.db2.gz VNRLTWQHWTWQKP-JTQLQIEISA-N 1 0 235.287 1.389 20 5 BDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000054104235 363560082 /nfs/dbraw/zinc/56/00/82/363560082.db2.gz XECMGPRVNBHLSM-SNVBAGLBSA-N 1 0 236.271 1.816 20 5 BDBDRO C[C@@H](NC(=O)[C@H]1CC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000384748058 356739936 /nfs/dbraw/zinc/73/99/36/356739936.db2.gz LPEBSTCAZNONID-LDYMZIIASA-N 1 0 249.270 1.134 20 5 BDBDRO CC(C)[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040459104 357221571 /nfs/dbraw/zinc/22/15/71/357221571.db2.gz DKSAQEWXKHRIQC-JTQLQIEISA-N 1 0 237.259 1.517 20 5 BDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000583244571 357697144 /nfs/dbraw/zinc/69/71/44/357697144.db2.gz VINJURMMSYTFGG-KOLCDFICSA-N 1 0 248.286 1.130 20 5 BDBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])nc1 ZINC000054613865 358871773 /nfs/dbraw/zinc/87/17/73/358871773.db2.gz UYIBKEFQDICTKK-UHFFFAOYSA-N 1 0 224.264 1.353 20 5 BDBDRO [NH3+]C1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000237806802 181329954 /nfs/dbraw/zinc/32/99/54/181329954.db2.gz GTMNFCVEDVVYRA-UHFFFAOYSA-N 1 0 249.270 1.805 20 5 BDBDRO [NH3+]C1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000051694090 181342714 /nfs/dbraw/zinc/34/27/14/181342714.db2.gz XITFABVAVBUUGP-UHFFFAOYSA-N 1 0 236.275 1.672 20 5 BDBDRO CC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000124744772 371229646 /nfs/dbraw/zinc/22/96/46/371229646.db2.gz LQEFTGCHOPCJQF-LLVKDONJSA-N 1 0 238.287 1.764 20 5 BDBDRO [NH3+][C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000041027496 181579597 /nfs/dbraw/zinc/57/95/97/181579597.db2.gz UDSUZJQPWRRRTD-LLVKDONJSA-N 1 0 235.287 1.518 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000020941363 371355163 /nfs/dbraw/zinc/35/51/63/371355163.db2.gz NXAWHKBWNHZAIB-LLVKDONJSA-N 1 0 236.271 1.552 20 5 BDBDRO C[C@H](CNc1cccnc1[N+](=O)[O-])[NH+](C)C ZINC000156941397 371509965 /nfs/dbraw/zinc/50/99/65/371509965.db2.gz GEPKDYVEFXELAD-MRVPVSSYSA-N 1 0 224.264 1.352 20 5 BDBDRO CO[C@@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000228573494 372051002 /nfs/dbraw/zinc/05/10/02/372051002.db2.gz UGNNQTRDJNFNIK-JTQLQIEISA-N 1 0 238.287 1.762 20 5 BDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[NH2+]1 ZINC000082259296 182372424 /nfs/dbraw/zinc/37/24/24/182372424.db2.gz RUOXBIQIXYSLJM-LLVKDONJSA-N 1 0 249.270 1.675 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCOC2)cc1 ZINC000109431312 182928792 /nfs/dbraw/zinc/92/87/92/182928792.db2.gz CHYSDGWOAMWJDL-LLVKDONJSA-N 1 0 236.271 1.516 20 5 BDBDRO CCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010708 169195599 /nfs/dbraw/zinc/19/55/99/169195599.db2.gz RIVDQNPEFPKMAT-SNVBAGLBSA-N 1 0 238.291 1.838 20 5 BDBDRO CCC[NH2+]CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000162857784 169260395 /nfs/dbraw/zinc/26/03/95/169260395.db2.gz RXXJCFJPFLFUBB-UHFFFAOYSA-N 1 0 238.291 1.710 20 5 BDBDRO CCC[C@@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267112891 169365778 /nfs/dbraw/zinc/36/57/78/169365778.db2.gz YBXBFHMDEDVHOZ-SNVBAGLBSA-N 1 0 240.307 1.912 20 5 BDBDRO [NH3+]CCCCNc1ncc([N+](=O)[O-])s1 ZINC000226766557 134370827 /nfs/dbraw/zinc/37/08/27/134370827.db2.gz QXGDUDIHFJXGGQ-UHFFFAOYSA-N 1 0 216.266 1.202 20 5 BDBDRO C[C@H](C[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000215556965 383864780 /nfs/dbraw/zinc/86/47/80/383864780.db2.gz PEODLOBASDGCFG-SSJHQANKSA-N 1 0 249.270 1.071 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000050114087 383912020 /nfs/dbraw/zinc/91/20/20/383912020.db2.gz VEKCOKWUNDVROA-LLVKDONJSA-N 1 0 236.271 1.552 20 5 BDBDRO CN(CC[NH+](C)C)c1ccc(N)cc1[N+](=O)[O-] ZINC000288444505 383894590 /nfs/dbraw/zinc/89/45/90/383894590.db2.gz PAJQKKDXKYKGSQ-UHFFFAOYSA-N 1 0 238.291 1.175 20 5 BDBDRO Cc1ccc(C[NH2+][C@H](C)CCO)cc1[N+](=O)[O-] ZINC000096811559 383943369 /nfs/dbraw/zinc/94/33/69/383943369.db2.gz YFUHABVSRWVJOB-SNVBAGLBSA-N 1 0 238.287 1.764 20 5 BDBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000163263684 384202130 /nfs/dbraw/zinc/20/21/30/384202130.db2.gz CZUKZWROTJEXNN-QWRGUYRKSA-N 1 0 249.314 1.764 20 5 BDBDRO Cc1cnc(N2C[C@@H](C)[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000235401421 384386277 /nfs/dbraw/zinc/38/62/77/384386277.db2.gz IRJCWZGSYQNHFC-BDAKNGLRSA-N 1 0 236.275 1.082 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCOC1 ZINC000070969034 384486223 /nfs/dbraw/zinc/48/62/23/384486223.db2.gz RBMPHOGCULGLRU-SNVBAGLBSA-N 1 0 222.244 1.473 20 5 BDBDRO C[C@H](N[C@@H](C)C1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000423011353 384494465 /nfs/dbraw/zinc/49/44/65/384494465.db2.gz AXKZJOGBVYSTDI-UWVGGRQHSA-N 1 0 249.314 1.853 20 5 BDBDRO C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963364 384581963 /nfs/dbraw/zinc/58/19/63/384581963.db2.gz YNRMUQCDHCCFIK-ZETCQYMHSA-N 1 0 244.678 1.719 20 5 BDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000050245742 384609724 /nfs/dbraw/zinc/60/97/24/384609724.db2.gz WBHIKRCIJMNJAE-SECBINFHSA-N 1 0 249.270 1.016 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)CCC[NH3+] ZINC000565598480 384674507 /nfs/dbraw/zinc/67/45/07/384674507.db2.gz QXQCSKNZTPLURH-UHFFFAOYSA-N 1 0 237.303 1.684 20 5 BDBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000062010246 385025118 /nfs/dbraw/zinc/02/51/18/385025118.db2.gz VRPYLTUKSZVMTJ-UHFFFAOYSA-N 1 0 236.275 1.496 20 5 BDBDRO Cc1cnc(OC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000330871362 385701710 /nfs/dbraw/zinc/70/17/10/385701710.db2.gz GFXZNCNFGYXYHX-VIFPVBQESA-N 1 0 239.275 1.627 20 5 BDBDRO CC[C@H]1CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000292470685 385702158 /nfs/dbraw/zinc/70/21/58/385702158.db2.gz RHFXJHZPYFVPLC-VIFPVBQESA-N 1 0 224.264 1.276 20 5 BDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000396716823 385792553 /nfs/dbraw/zinc/79/25/53/385792553.db2.gz UFVWCYXORHFXOB-JQWIXIFHSA-N 1 0 249.314 1.825 20 5 BDBDRO [NH3+][C@@H](CNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414897282 386214398 /nfs/dbraw/zinc/21/43/98/386214398.db2.gz QZSDXEZBVTWGDM-LBPRGKRZSA-N 1 0 235.287 1.422 20 5 BDBDRO [NH3+]C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000087383498 386197769 /nfs/dbraw/zinc/19/77/69/386197769.db2.gz YGOJIHNKDQFKGQ-JTQLQIEISA-N 1 0 249.270 1.062 20 5 BDBDRO C[N@H+](CCNc1ncccc1[N+](=O)[O-])C1CC1 ZINC000058938208 386607423 /nfs/dbraw/zinc/60/74/23/386607423.db2.gz VQKLZYKBHZOBEX-UHFFFAOYSA-N 1 0 236.275 1.496 20 5 BDBDRO C[NH2+]CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414823633 386678129 /nfs/dbraw/zinc/67/81/29/386678129.db2.gz IPPVRJYYSGJXPK-UHFFFAOYSA-N 1 0 243.694 1.557 20 5 BDBDRO [NH3+]C[C@H](NCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000414797185 387070628 /nfs/dbraw/zinc/07/06/28/387070628.db2.gz IESMQKSWIPCXRS-VIFPVBQESA-N 1 0 241.316 1.483 20 5 BDBDRO CC[NH2+]CCNCc1csc([N+](=O)[O-])c1 ZINC000414819493 387230747 /nfs/dbraw/zinc/23/07/47/387230747.db2.gz AHLAKOIDSHZSDM-UHFFFAOYSA-N 1 0 229.305 1.355 20 5 BDBDRO C[NH+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192450207 387368104 /nfs/dbraw/zinc/36/81/04/387368104.db2.gz YHAZVLSKDHADHA-SSDOTTSWSA-N 1 0 242.304 1.192 20 5 BDBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000035792388 387371589 /nfs/dbraw/zinc/37/15/89/387371589.db2.gz PGSAGHXPDZKDFA-YUMQZZPRSA-N 1 0 237.259 1.119 20 5 BDBDRO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295879749 387467120 /nfs/dbraw/zinc/46/71/20/387467120.db2.gz GWWVRBQFNHBBJX-UISBYWKRSA-N 1 0 236.271 1.769 20 5 BDBDRO [NH3+][C@H](CNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414902535 387601297 /nfs/dbraw/zinc/60/12/97/387601297.db2.gz YOQGDUDSXBAUAY-LLVKDONJSA-N 1 0 235.287 1.422 20 5 BDBDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000414922774 387606887 /nfs/dbraw/zinc/60/68/87/387606887.db2.gz GMRVULNVPWAWEE-ZWNOBZJWSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@@H](C[NH3+])NCc1csc([N+](=O)[O-])c1 ZINC000414935058 387614540 /nfs/dbraw/zinc/61/45/40/387614540.db2.gz BYBPDUWCMIWPCK-LURJTMIESA-N 1 0 215.278 1.093 20 5 BDBDRO CC[NH2+][C@H](C)CNCc1cccc([N+](=O)[O-])c1 ZINC000414967609 387623194 /nfs/dbraw/zinc/62/31/94/387623194.db2.gz XVDFVDIWXIDRSR-SNVBAGLBSA-N 1 0 237.303 1.682 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367820977 387569140 /nfs/dbraw/zinc/56/91/40/387569140.db2.gz FNTPVJIEZQJZPN-GDNZZTSVSA-N 1 0 248.282 1.265 20 5 BDBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000228085752 387694940 /nfs/dbraw/zinc/69/49/40/387694940.db2.gz QRVHNDFWQMVKSX-ZJUUUORDSA-N 1 0 238.287 1.844 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000415018683 387663170 /nfs/dbraw/zinc/66/31/70/387663170.db2.gz QYRVVHSHDHTIQC-YUMQZZPRSA-N 1 0 241.266 1.559 20 5 BDBDRO CN(Cc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000036300468 387905119 /nfs/dbraw/zinc/90/51/19/387905119.db2.gz QONZEDSFQLCINN-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO Cc1ccc(CN2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000347044385 387921292 /nfs/dbraw/zinc/92/12/92/387921292.db2.gz NBKCAJVCDBTSDP-GFCCVEGCSA-N 1 0 249.314 1.684 20 5 BDBDRO [NH3+][C@H](CNc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000226783099 388355004 /nfs/dbraw/zinc/35/50/04/388355004.db2.gz PDHAHTGZSHNDRZ-ZCFIWIBFSA-N 1 0 228.277 1.201 20 5 BDBDRO Cc1cnc(NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000090692089 388472034 /nfs/dbraw/zinc/47/20/34/388472034.db2.gz QIHZOLGURCDXCN-SECBINFHSA-N 1 0 238.291 1.660 20 5 BDBDRO C[N@H+]1CC=C(CNc2ncccc2[N+](=O)[O-])CC1 ZINC000271878232 388410297 /nfs/dbraw/zinc/41/02/97/388410297.db2.gz UMEZGZDOIYOQCA-UHFFFAOYSA-N 1 0 248.286 1.664 20 5 BDBDRO [NH3+]CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000040576838 388422303 /nfs/dbraw/zinc/42/23/03/388422303.db2.gz UICVKGYQCWVMFH-VOTSOKGWSA-N 1 0 249.270 1.073 20 5 BDBDRO [NH3+][C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000422948934 388686313 /nfs/dbraw/zinc/68/63/13/388686313.db2.gz SGQRIMNAZKBFNO-VXGBXAGGSA-N 1 0 235.287 1.564 20 5 BDBDRO C[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449095100 388746860 /nfs/dbraw/zinc/74/68/60/388746860.db2.gz WFXGTJOFGGDTAQ-VHSXEESVSA-N 1 0 238.287 1.496 20 5 BDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN ZINC000423179690 388688476 /nfs/dbraw/zinc/68/84/76/388688476.db2.gz JRRMOEGUKTYDEP-SNVBAGLBSA-N 1 0 237.303 1.464 20 5 BDBDRO CC[C@H]([NH3+])CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423481465 388692236 /nfs/dbraw/zinc/69/22/36/388692236.db2.gz WSTLMWSCMKKGTP-ONGXEEELSA-N 1 0 237.303 1.983 20 5 BDBDRO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000423433739 388692504 /nfs/dbraw/zinc/69/25/04/388692504.db2.gz NLKKXYILELAHDW-KMLBCRHOSA-N 1 0 247.298 1.463 20 5 BDBDRO C[NH+](C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000037420491 388800212 /nfs/dbraw/zinc/80/02/12/388800212.db2.gz FTEUKPAUMGDKGL-UHFFFAOYSA-N 1 0 227.239 1.707 20 5 BDBDRO C[C@@H]([NH2+]CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283919650 388825830 /nfs/dbraw/zinc/82/58/30/388825830.db2.gz DPFNZJDANZAEKW-MRVPVSSYSA-N 1 0 239.275 1.210 20 5 BDBDRO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000097092791 388832900 /nfs/dbraw/zinc/83/29/00/388832900.db2.gz FWNJZVKQTIHQCT-RKDXNWHRSA-N 1 0 249.270 1.661 20 5 BDBDRO C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000400478541 533461422 /nfs/dbraw/zinc/46/14/22/533461422.db2.gz DYMYFMFANWPCEF-PWSUYJOCSA-N 1 0 249.314 1.825 20 5 BDBDRO [NH3+]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000044531667 132225010 /nfs/dbraw/zinc/22/50/10/132225010.db2.gz XLTWFYVEWMAYDV-VIFPVBQESA-N 1 0 236.275 1.165 20 5 BDBDRO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000034871771 132268790 /nfs/dbraw/zinc/26/87/90/132268790.db2.gz IBYRCGPBLYCJMO-RKDXNWHRSA-N 1 0 236.275 1.176 20 5 BDBDRO [NH3+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036754905 132342537 /nfs/dbraw/zinc/34/25/37/132342537.db2.gz FTJJBIBQTZJMQF-UHFFFAOYSA-N 1 0 221.260 1.522 20 5 BDBDRO CN(c1ccc(Cl)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000085258382 134274048 /nfs/dbraw/zinc/27/40/48/134274048.db2.gz LOUHDWYZOIGTLB-UHFFFAOYSA-N 1 0 241.678 1.656 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC2)cs1 ZINC000087784742 135170122 /nfs/dbraw/zinc/17/01/22/135170122.db2.gz ABOMLUBBJPLKMQ-MRVPVSSYSA-N 1 0 228.273 1.535 20 5 BDBDRO Cc1nc(N2CC[C@@H]([NH3+])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000261549570 135188307 /nfs/dbraw/zinc/18/83/07/135188307.db2.gz KQLXRZCOCDIJOS-DTWKUNHWSA-N 1 0 236.275 1.224 20 5 BDBDRO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000261552491 135191549 /nfs/dbraw/zinc/19/15/49/135191549.db2.gz MXWMJVYAVBKWGF-APPZFPTMSA-N 1 0 239.250 1.517 20 5 BDBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)ncc1[N+](=O)[O-] ZINC000261555562 135195614 /nfs/dbraw/zinc/19/56/14/135195614.db2.gz PXPFTPRTYZGORG-DTWKUNHWSA-N 1 0 236.275 1.224 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000261570901 135212705 /nfs/dbraw/zinc/21/27/05/135212705.db2.gz KSADWISXYJLEBV-GFCCVEGCSA-N 1 0 248.286 1.180 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000261581525 135222865 /nfs/dbraw/zinc/22/28/65/135222865.db2.gz QQGRZRDOPPLVFM-NXEZZACHSA-N 1 0 248.286 1.036 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc1 ZINC000261583429 135224019 /nfs/dbraw/zinc/22/40/19/135224019.db2.gz RSTJITYZXQZWAT-MWLCHTKSSA-N 1 0 248.286 1.178 20 5 BDBDRO Cc1c(CNC2=[NH+]CCCN2)cccc1[N+](=O)[O-] ZINC000262318698 135293309 /nfs/dbraw/zinc/29/33/09/135293309.db2.gz CHWHXNVGKUYGDT-UHFFFAOYSA-N 1 0 248.286 1.342 20 5 BDBDRO CCOc1cccc(N(C)CC[NH3+])c1[N+](=O)[O-] ZINC000135051334 170580980 /nfs/dbraw/zinc/58/09/80/170580980.db2.gz OINWKPNFFSCVMB-UHFFFAOYSA-N 1 0 239.275 1.388 20 5 BDBDRO CC[C@@H]1CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000292470683 171022905 /nfs/dbraw/zinc/02/29/05/171022905.db2.gz RHFXJHZPYFVPLC-SECBINFHSA-N 1 0 224.264 1.276 20 5 BDBDRO C[N@@H+]1CCCC[C@@H]1CCn1cc([N+](=O)[O-])cn1 ZINC000298484850 173004817 /nfs/dbraw/zinc/00/48/17/173004817.db2.gz APWSEXZBLDYXKV-SNVBAGLBSA-N 1 0 238.291 1.666 20 5 BDBDRO C[NH2+]CCN(C)Cc1csc([N+](=O)[O-])c1 ZINC000069801283 173353633 /nfs/dbraw/zinc/35/36/33/173353633.db2.gz ICAHAWGBWQMHLK-UHFFFAOYSA-N 1 0 229.305 1.308 20 5 BDBDRO C[NH2+]C[C@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000234412194 173382282 /nfs/dbraw/zinc/38/22/82/173382282.db2.gz POLGHHFGWURVTB-LLVKDONJSA-N 1 0 249.314 1.949 20 5 BDBDRO C[NH2+][C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000053201367 173433813 /nfs/dbraw/zinc/43/38/13/173433813.db2.gz ULONUDWPFKFQKQ-GFCCVEGCSA-N 1 0 249.314 1.779 20 5 BDBDRO C[NH2+][C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000053201368 173461832 /nfs/dbraw/zinc/46/18/32/173461832.db2.gz ULONUDWPFKFQKQ-LBPRGKRZSA-N 1 0 249.314 1.779 20 5 BDBDRO COCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000112204769 174330351 /nfs/dbraw/zinc/33/03/51/174330351.db2.gz BWSFVWHOZUJWJN-GQCTYLIASA-N 1 0 236.271 1.844 20 5 BDBDRO COCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963051 174335340 /nfs/dbraw/zinc/33/53/40/174335340.db2.gz ODXRIVUNHZRFQP-UHFFFAOYSA-N 1 0 244.678 1.984 20 5 BDBDRO COCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443005 174336175 /nfs/dbraw/zinc/33/61/75/174336175.db2.gz MKZGZKQHSLWFPS-UHFFFAOYSA-N 1 0 244.678 1.984 20 5 BDBDRO COc1cc(N(C)CC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227860055 174995897 /nfs/dbraw/zinc/99/58/97/174995897.db2.gz LCMSZPYXFYJXSF-UHFFFAOYSA-N 1 0 243.238 1.137 20 5 BDBDRO COc1cc(NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000111045489 175002441 /nfs/dbraw/zinc/00/24/41/175002441.db2.gz SPSGAGCTNWXTBY-UHFFFAOYSA-N 1 0 239.275 1.577 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH3+])C1 ZINC000224197771 176019576 /nfs/dbraw/zinc/01/95/76/176019576.db2.gz MTOMEUNNFLBDBZ-QWRGUYRKSA-N 1 0 249.314 1.936 20 5 BDBDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000291281004 176026371 /nfs/dbraw/zinc/02/63/71/176026371.db2.gz QJVVSQQEGOJOJA-ZJUUUORDSA-N 1 0 238.287 1.968 20 5 BDBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330393786 176131674 /nfs/dbraw/zinc/13/16/74/176131674.db2.gz CGMASFOHXMJEDZ-BDAKNGLRSA-N 1 0 238.291 1.607 20 5 BDBDRO C[C@@H]1C[NH+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000355339054 176301287 /nfs/dbraw/zinc/30/12/87/176301287.db2.gz HSSXANMUMDSVQQ-RKDXNWHRSA-N 1 0 238.291 1.416 20 5 BDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000235362901 176304039 /nfs/dbraw/zinc/30/40/39/176304039.db2.gz XZVIENVVOOSYJQ-SKDRFNHKSA-N 1 0 235.287 1.374 20 5 BDBDRO C[C@@H]([NH2+]C[C@H](C)O)c1ccccc1[N+](=O)[O-] ZINC000035601433 176991736 /nfs/dbraw/zinc/99/17/36/176991736.db2.gz UHDFAXSDAMNOAE-DTWKUNHWSA-N 1 0 224.260 1.626 20 5 BDBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000246287021 177161682 /nfs/dbraw/zinc/16/16/82/177161682.db2.gz AFAOFKSTHYSENB-UWVGGRQHSA-N 1 0 238.291 1.522 20 5 BDBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351783321 177263853 /nfs/dbraw/zinc/26/38/53/177263853.db2.gz RKWHIXOZNFGJPH-JOYOIKCWSA-N 1 0 236.271 1.407 20 5 BDBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000070533548 177264619 /nfs/dbraw/zinc/26/46/19/177264619.db2.gz FABILDIDVFCXRW-PHIMTYICSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])nc1 ZINC000216239757 177324617 /nfs/dbraw/zinc/32/46/17/177324617.db2.gz WNAMRQPFYIFJCJ-IUCAKERBSA-N 1 0 236.275 1.163 20 5 BDBDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000340930938 177337835 /nfs/dbraw/zinc/33/78/35/177337835.db2.gz TZJWTGNBLUSSCK-JOYOIKCWSA-N 1 0 236.271 1.550 20 5 BDBDRO C[C@H]1C[C@@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000336781916 177345908 /nfs/dbraw/zinc/34/59/08/177345908.db2.gz WBHOGUSVDVGKGC-DTWKUNHWSA-N 1 0 224.264 1.037 20 5 BDBDRO C[NH+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])cn1 ZINC000308649343 229441432 /nfs/dbraw/zinc/44/14/32/229441432.db2.gz XXOUVYHYQBQZQO-UHFFFAOYSA-N 1 0 238.291 1.742 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C1CCC(F)(F)CC1 ZINC000905187965 637667978 /nfs/dbraw/zinc/66/79/78/637667978.db2.gz GPHGCOIGGIKSFY-UHFFFAOYSA-N 1 0 208.208 1.431 20 5 BDBDRO [NH3+][C@H]1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000570720492 323068601 /nfs/dbraw/zinc/06/86/01/323068601.db2.gz FRBOTYMBDDUKLT-OCAPTIKFSA-N 1 0 235.243 1.271 20 5 BDBDRO CC1(C)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000551529798 325559457 /nfs/dbraw/zinc/55/94/57/325559457.db2.gz JEUHWNVSKFDUEF-JTQLQIEISA-N 1 0 238.291 1.570 20 5 BDBDRO O=[N+]([O-])c1ccnn1CC[C@@H]1CCC[NH2+]C1 ZINC000568981340 326384494 /nfs/dbraw/zinc/38/44/94/326384494.db2.gz QWAJGMGYOMTNBP-VIFPVBQESA-N 1 0 224.264 1.181 20 5 BDBDRO C[NH2+][C@@H](C)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000261570385 536344844 /nfs/dbraw/zinc/34/48/44/536344844.db2.gz GUVLJQSTCZUHRJ-VIFPVBQESA-N 1 0 223.276 1.923 20 5 BDBDRO C[NH2+][C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000053204728 536365992 /nfs/dbraw/zinc/36/59/92/536365992.db2.gz WMMXSWHENBZWQB-SNVBAGLBSA-N 1 0 235.287 1.783 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1N(C)CC1C[NH+](C)C1 ZINC000853824485 588764733 /nfs/dbraw/zinc/76/47/33/588764733.db2.gz HSBRDZCYIVFHFW-UHFFFAOYSA-N 1 0 249.314 1.901 20 5 BDBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CC[NH2+]C1 ZINC000112928422 588820782 /nfs/dbraw/zinc/82/07/82/588820782.db2.gz SVQOWVNOPZLKEZ-MRVPVSSYSA-N 1 0 239.250 1.755 20 5 BDBDRO C[C@@H](c1ccccc1)[N@H+](C)CC[N+](=O)[O-] ZINC000791052800 583385145 /nfs/dbraw/zinc/38/51/45/583385145.db2.gz DJEIXLUXTDIXAR-JTQLQIEISA-N 1 0 208.261 1.956 20 5 BDBDRO CCC([NH3+])(CC)CNc1ncc([N+](=O)[O-])cn1 ZINC000130090945 583634945 /nfs/dbraw/zinc/63/49/45/583634945.db2.gz JAZFGKJRJMPJRS-UHFFFAOYSA-N 1 0 239.279 1.314 20 5 BDBDRO Cc1ccc(SCC[NH2+]CC[N+](=O)[O-])cc1 ZINC000899859861 584242478 /nfs/dbraw/zinc/24/24/78/584242478.db2.gz FAFGPUFTZKCEAG-UHFFFAOYSA-N 1 0 240.328 1.953 20 5 BDBDRO COc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000899860827 584242694 /nfs/dbraw/zinc/24/26/94/584242694.db2.gz VITLMYMTQBMKLO-UHFFFAOYSA-N 1 0 210.233 1.062 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000899867672 584243788 /nfs/dbraw/zinc/24/37/88/584243788.db2.gz XEWQDSOLMWDYPK-SNVBAGLBSA-N 1 0 244.678 1.240 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCOC1CCCCC1 ZINC000899865531 584245384 /nfs/dbraw/zinc/24/53/84/584245384.db2.gz HHRAICPHNOLFHL-UHFFFAOYSA-N 1 0 230.308 1.592 20 5 BDBDRO Cc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1C ZINC000899891022 584246053 /nfs/dbraw/zinc/24/60/53/584246053.db2.gz GORNXEVRGMXDRX-UHFFFAOYSA-N 1 0 222.288 1.712 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CNOC1 ZINC000904426744 584881454 /nfs/dbraw/zinc/88/14/54/584881454.db2.gz HBGLUAOMZWXCQY-TZNOJPMFSA-N 1 0 249.270 1.101 20 5 BDBDRO Cc1cccnc1[C@H]([NH2+]CC[N+](=O)[O-])C(C)C ZINC000791055781 585973702 /nfs/dbraw/zinc/97/37/02/585973702.db2.gz XKEPDAWPMUFZNH-LLVKDONJSA-N 1 0 237.303 1.953 20 5 BDBDRO CC1=CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000797821769 586132111 /nfs/dbraw/zinc/13/21/11/586132111.db2.gz DPQZPJYDAOTPLH-UHFFFAOYSA-N 1 0 222.248 1.401 20 5 BDBDRO C[C@@H](NC[C@H](C)[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817971331 586859145 /nfs/dbraw/zinc/85/91/45/586859145.db2.gz CJRNIXGCQDNBJN-JGVFFNPUSA-N 1 0 238.291 1.175 20 5 BDBDRO C[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000843237786 588094741 /nfs/dbraw/zinc/09/47/41/588094741.db2.gz HCGRSOQRPRKRSM-UHFFFAOYSA-N 1 0 248.242 1.673 20 5 BDBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CC[NH2+]C2)nc1 ZINC000110798309 588696515 /nfs/dbraw/zinc/69/65/15/588696515.db2.gz GVZBZRMNZLBUOU-VIFPVBQESA-N 1 0 236.275 1.401 20 5 BDBDRO Cc1ccc(CN[C@H]2CCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873251095 590008368 /nfs/dbraw/zinc/00/83/68/590008368.db2.gz IXMNQWRAECFAMI-RYUDHWBXSA-N 1 0 249.314 1.873 20 5 BDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC34CC4)C2)c1 ZINC000877597201 590371524 /nfs/dbraw/zinc/37/15/24/590371524.db2.gz CZWQYRXKLSDLDK-NWGYLPEXSA-N 1 0 248.286 1.637 20 5 BDBDRO C/C=C\C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877658291 590385766 /nfs/dbraw/zinc/38/57/66/590385766.db2.gz WDMINYRQIJNCQY-IHWYPQMZSA-N 1 0 236.275 1.661 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](CF)C2)c1 ZINC000880293168 590987712 /nfs/dbraw/zinc/98/77/12/590987712.db2.gz FHENJFGMEWLEPZ-SECBINFHSA-N 1 0 242.254 1.083 20 5 BDBDRO [NH3+][C@H](CNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000129317721 591276553 /nfs/dbraw/zinc/27/65/53/591276553.db2.gz XGPMIVGSCXFWAK-SNVBAGLBSA-N 1 0 239.250 1.883 20 5 BDBDRO C[C@@H](C[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000215555389 591951286 /nfs/dbraw/zinc/95/12/86/591951286.db2.gz BKBBIJPARSLXQY-WYDVEAGSSA-N 1 0 249.270 1.071 20 5 BDBDRO [NH2+]=C(NCc1cccc([N+](=O)[O-])c1)NCC1CC1 ZINC000887349580 592485643 /nfs/dbraw/zinc/48/56/43/592485643.db2.gz BCQUYLJMMGCLFJ-UHFFFAOYSA-N 1 0 248.286 1.619 20 5 BDBDRO [NH3+]C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000044527728 632116560 /nfs/dbraw/zinc/11/65/60/632116560.db2.gz UMZJSWGGZCFTMD-LLVKDONJSA-N 1 0 249.314 1.766 20 5 BDBDRO C[NH2+]C1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000310756639 632940738 /nfs/dbraw/zinc/94/07/38/632940738.db2.gz ACOSBHFKETWLEJ-UHFFFAOYSA-N 1 0 249.270 1.675 20 5 BDBDRO CO[C@@]1(C)C[C@H]([NH2+]CC[N+](=O)[O-])C1(C)C ZINC000930626818 633954451 /nfs/dbraw/zinc/95/44/51/633954451.db2.gz AYSHVUPHWBPBIX-WPRPVWTQSA-N 1 0 216.281 1.056 20 5 BDBDRO CO[C@@H]1CC[N@H+](CC[N+](=O)[O-])CC1(C)C ZINC000930643292 633974239 /nfs/dbraw/zinc/97/42/39/633974239.db2.gz UICFLVKPHIGHKZ-SECBINFHSA-N 1 0 216.281 1.010 20 5 BDBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH2+]1 ZINC000234330827 635552914 /nfs/dbraw/zinc/55/29/14/635552914.db2.gz PMOFGVWRNPZVSB-GFCCVEGCSA-N 1 0 249.314 1.779 20 5 BDBDRO [NH3+][C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000041027495 636951545 /nfs/dbraw/zinc/95/15/45/636951545.db2.gz UDSUZJQPWRRRTD-NSHDSACASA-N 1 0 235.287 1.518 20 5 BDBDRO [NH3+]C1(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000904448773 637415107 /nfs/dbraw/zinc/41/51/07/637415107.db2.gz CHLQMKZKPCEEGB-UHFFFAOYSA-N 1 0 221.260 1.176 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1cccc(F)c1 ZINC000905027566 637573162 /nfs/dbraw/zinc/57/31/62/637573162.db2.gz PKAXTGXQIPXBSL-UHFFFAOYSA-N 1 0 212.224 1.235 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCOc2ccccc21 ZINC000905079511 637580622 /nfs/dbraw/zinc/58/06/22/637580622.db2.gz JRTVUBFLIWOWDT-NSHDSACASA-N 1 0 236.271 1.767 20 5 BDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccncc1 ZINC000905156867 637639670 /nfs/dbraw/zinc/63/96/70/637639670.db2.gz WFWIFNVMSRCQJF-VIFPVBQESA-N 1 0 209.249 1.051 20 5 BDBDRO CCO[C@@H](CC[NH2+]CC[N+](=O)[O-])C(C)C ZINC000905145548 637654849 /nfs/dbraw/zinc/65/48/49/637654849.db2.gz KISVHGVYNZLTPE-JTQLQIEISA-N 1 0 218.297 1.304 20 5 BDBDRO CC(C)(O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905221078 637701720 /nfs/dbraw/zinc/70/17/20/637701720.db2.gz VNQCMVCBUDWRST-UHFFFAOYSA-N 1 0 238.287 1.280 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000905245470 637705139 /nfs/dbraw/zinc/70/51/39/637705139.db2.gz FAHGMTCDZQUNEN-UHFFFAOYSA-N 1 0 233.271 1.577 20 5 BDBDRO Cc1cccc2c1OC[C@H]([NH2+]CC[N+](=O)[O-])C2 ZINC000905263217 637717536 /nfs/dbraw/zinc/71/75/36/637717536.db2.gz LLGLCGXPESDBRG-LLVKDONJSA-N 1 0 236.271 1.165 20 5 BDBDRO C[C@H](CCCC(F)(F)F)[NH2+]CC[N+](=O)[O-] ZINC000905235489 637721166 /nfs/dbraw/zinc/72/11/66/637721166.db2.gz ZVAKUONGLLUTOW-SSDOTTSWSA-N 1 0 228.214 1.974 20 5 BDBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905272262 637729864 /nfs/dbraw/zinc/72/98/64/637729864.db2.gz GMAOOYWPBFQMJA-NXEZZACHSA-N 1 0 200.282 1.679 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CSc2ccccc21 ZINC000905276110 637733173 /nfs/dbraw/zinc/73/31/73/637733173.db2.gz WKTZJNKNPWEOCH-VIFPVBQESA-N 1 0 238.312 1.742 20 5 BDBDRO Cc1ccc(F)c(CC[NH2+]CC[N+](=O)[O-])c1 ZINC000905280017 637734626 /nfs/dbraw/zinc/73/46/26/637734626.db2.gz NTZZRQYPZZBPSY-UHFFFAOYSA-N 1 0 226.251 1.543 20 5 BDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000905363844 637788237 /nfs/dbraw/zinc/78/82/37/637788237.db2.gz GXKDTLQVAFYFFQ-LDYMZIIASA-N 1 0 242.250 1.114 20 5 BDBDRO CC1(C)[C@H](C[NH2+]CC[N+](=O)[O-])C1(F)F ZINC000905375142 637793381 /nfs/dbraw/zinc/79/33/81/637793381.db2.gz XGIVZAFLXFKRKB-LURJTMIESA-N 1 0 208.208 1.144 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC[C@H]1CCCC1(F)F ZINC000905422276 637806645 /nfs/dbraw/zinc/80/66/45/637806645.db2.gz GNZVISYAKFRVQO-MRVPVSSYSA-N 1 0 222.235 1.678 20 5 BDBDRO O=[N+]([O-])CCNCc1nsc2ccccc12 ZINC000905450538 637809896 /nfs/dbraw/zinc/80/98/96/637809896.db2.gz HURUGGLMYPLTCU-UHFFFAOYSA-N 1 0 237.284 1.663 20 5 BDBDRO C[C@H]1Cc2cc(C[NH2+]CC[N+](=O)[O-])ccc2O1 ZINC000905566430 637848360 /nfs/dbraw/zinc/84/83/60/637848360.db2.gz WCSRNCLJVHAZHF-VIFPVBQESA-N 1 0 236.271 1.376 20 5 BDBDRO [NH3+]C1CC(NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000906511236 638183496 /nfs/dbraw/zinc/18/34/96/638183496.db2.gz ZWSAQETYZHLTLH-UHFFFAOYSA-N 1 0 239.250 1.313 20 5 BDBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930456514 639759656 /nfs/dbraw/zinc/75/96/56/639759656.db2.gz VDJABHDSXGKEJE-GHMZBOCLSA-N 1 0 230.308 1.279 20 5 BDBDRO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])C1(CO)CCCC1 ZINC000930680489 639860257 /nfs/dbraw/zinc/86/02/57/639860257.db2.gz CLSKKVBGDQRJKC-LLVKDONJSA-N 1 0 244.335 1.430 20 5 BDBDRO C[C@@H](C[N@H+](C)CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000930705265 639870627 /nfs/dbraw/zinc/87/06/27/639870627.db2.gz HKYZOVRUCDAFGF-VIFPVBQESA-N 1 0 246.307 1.173 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000930714337 639875393 /nfs/dbraw/zinc/87/53/93/639875393.db2.gz DENPJCLBBWVANX-VXGBXAGGSA-N 1 0 236.271 1.071 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000930824578 639924444 /nfs/dbraw/zinc/92/44/44/639924444.db2.gz DSMGOQZPKQITHN-NSHDSACASA-N 1 0 212.293 1.918 20 5 BDBDRO C[C@@H]1CN(CC[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000931161094 640082952 /nfs/dbraw/zinc/08/29/52/640082952.db2.gz SFMMXANXVWKLEN-HTQZYQBOSA-N 1 0 222.235 1.486 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000931374803 640169368 /nfs/dbraw/zinc/16/93/68/640169368.db2.gz PTKLWYGFFJXUEY-NEPJUHHUSA-N 1 0 236.271 1.383 20 5 BDBDRO C[C@H](C[N@H+](C)CC[N+](=O)[O-])C(C)(C)C ZINC000931616514 640289855 /nfs/dbraw/zinc/28/98/55/640289855.db2.gz USXAWHIFYKODQN-SECBINFHSA-N 1 0 202.298 1.877 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923007651 644226568 /nfs/dbraw/zinc/22/65/68/644226568.db2.gz KUNIYMLDBBPRCT-HOMQSWHASA-N 1 0 236.271 1.455 20 5 BDBDRO Cc1cnc(NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000090692578 644602745 /nfs/dbraw/zinc/60/27/45/644602745.db2.gz SLUVACHUYXEXCW-VIFPVBQESA-N 1 0 236.275 1.462 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000929617825 646201594 /nfs/dbraw/zinc/20/15/94/646201594.db2.gz KXTFIRJEZMFWHS-VIFPVBQESA-N 1 0 210.233 1.346 20 5 BDBDRO CCOC[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929644966 646218420 /nfs/dbraw/zinc/21/84/20/646218420.db2.gz YUOMSPCSYRZKMI-SNVBAGLBSA-N 1 0 216.281 1.012 20 5 BDBDRO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])C[C@H](C)S1 ZINC000929724895 646274063 /nfs/dbraw/zinc/27/40/63/646274063.db2.gz FECSODQFASXJST-OCAPTIKFSA-N 1 0 204.295 1.089 20 5 BDBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CC[N+](=O)[O-])C1 ZINC000929749390 646279736 /nfs/dbraw/zinc/27/97/36/646279736.db2.gz KNQFJTJPOICINE-VHSXEESVSA-N 1 0 232.349 1.869 20 5 BDBDRO CC(C)([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC000929964371 646379051 /nfs/dbraw/zinc/37/90/51/646379051.db2.gz XTDNNVCZBMRUIL-UHFFFAOYSA-N 1 0 226.251 1.927 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000930096732 646433622 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RQVGDKNVMVATFC-IUCAKERBSA-N 1 0 236.275 1.176 20 5 BDBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])cn1 ZINC000168350560 136267768 /nfs/dbraw/zinc/26/77/68/136267768.db2.gz XLJYOCXMHYSMMC-MRVPVSSYSA-N 1 0 224.264 1.257 20 5 BDBDRO CC(C)[N@H+](C)CCNc1c([N+](=O)[O-])ncn1C ZINC000054128328 187271977 /nfs/dbraw/zinc/27/19/77/187271977.db2.gz HYQHDPPGKIFHRD-UHFFFAOYSA-N 1 0 241.295 1.080 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1 ZINC000382300342 349873179 /nfs/dbraw/zinc/87/31/79/349873179.db2.gz NGBQLFJCHDLGQO-GHMZBOCLSA-N 1 0 222.244 1.208 20 5 BDBDRO Cc1cnc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000216859302 343885866 /nfs/dbraw/zinc/88/58/66/343885866.db2.gz RFAABKXDSWXLSR-KOLCDFICSA-N 1 0 248.286 1.096 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCC[NH3+] ZINC000123321578 344324718 /nfs/dbraw/zinc/32/47/18/344324718.db2.gz XZYORFGHSYWLRH-SNVBAGLBSA-N 1 0 237.303 1.936 20 5 BDBDRO CC(C)CC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176213273 344383178 /nfs/dbraw/zinc/38/31/78/344383178.db2.gz BTXUCZLDFZYDPB-UHFFFAOYSA-N 1 0 240.307 1.769 20 5 BDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000381410600 344503300 /nfs/dbraw/zinc/50/33/00/344503300.db2.gz XRGDFDULRBPCNU-SFYZADRCSA-N 1 0 237.259 1.060 20 5 BDBDRO Cc1ccc(NC(=O)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000037607312 187292630 /nfs/dbraw/zinc/29/26/30/187292630.db2.gz VHVAJCXTBCPARU-MRVPVSSYSA-N 1 0 237.259 1.579 20 5 BDBDRO Cc1ccc(NC(=O)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000054337596 178746461 /nfs/dbraw/zinc/74/64/61/178746461.db2.gz RXAFSRSXANEBMG-MRVPVSSYSA-N 1 0 237.259 1.437 20 5 BDBDRO Cc1ccnc(NCC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000070062899 345321602 /nfs/dbraw/zinc/32/16/02/345321602.db2.gz WXTALFNGOIJSQK-MRVPVSSYSA-N 1 0 224.264 1.447 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1N(C)CC[NH+](C)C ZINC000080685227 345431073 /nfs/dbraw/zinc/43/10/73/345431073.db2.gz QXMPWKGWTHYENT-UHFFFAOYSA-N 1 0 237.303 1.901 20 5 BDBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000158844336 345583579 /nfs/dbraw/zinc/58/35/79/345583579.db2.gz NWVJEIMOADDSSJ-NXEZZACHSA-N 1 0 235.287 1.768 20 5 BDBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000083662429 537918672 /nfs/dbraw/zinc/91/86/72/537918672.db2.gz DEVSGOWTZGBNKU-SECBINFHSA-N 1 0 238.287 1.844 20 5 BDBDRO O=[N+]([O-])c1cccc(CNC[C@H]2CCCC[NH2+]2)c1 ZINC000236408284 346236711 /nfs/dbraw/zinc/23/67/11/346236711.db2.gz GYDNDVWRKYAYNB-GFCCVEGCSA-N 1 0 249.314 1.827 20 5 BDBDRO Cc1cccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000236000034 179123245 /nfs/dbraw/zinc/12/32/45/179123245.db2.gz AGTPNUKFYLMTRS-PHIMTYICSA-N 1 0 247.298 1.559 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCOC1 ZINC000591641886 347682259 /nfs/dbraw/zinc/68/22/59/347682259.db2.gz OAFSPGMYHYVJKP-KTLBGCOUSA-N 1 0 248.282 1.987 20 5 BDBDRO CC1([NH3+])CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592431550 347778364 /nfs/dbraw/zinc/77/83/64/347778364.db2.gz DYRYBRGGNSNAGJ-UHFFFAOYSA-N 1 0 249.314 1.908 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)CCF)cs1 ZINC000593689239 347927797 /nfs/dbraw/zinc/92/77/97/347927797.db2.gz MCWXZWQDRHZYMM-QMMMGPOBSA-N 1 0 248.279 1.466 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCOC1 ZINC000594502484 348063896 /nfs/dbraw/zinc/06/38/96/348063896.db2.gz OLHBYKXRMFYIQE-SKDRFNHKSA-N 1 0 248.282 1.961 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@H](O)C1 ZINC000595102882 348195789 /nfs/dbraw/zinc/19/57/89/348195789.db2.gz KEMQYOVFKJGXOM-AUTRQRHGSA-N 1 0 248.282 1.695 20 5 BDBDRO C[NH2+]C[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000596107103 348441166 /nfs/dbraw/zinc/44/11/66/348441166.db2.gz QODQPOWCKKDWHC-VIFPVBQESA-N 1 0 223.276 1.292 20 5 BDBDRO Cc1cc(N2CC(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596248566 348472636 /nfs/dbraw/zinc/47/26/36/348472636.db2.gz YXRHFUWWFYNYDQ-UHFFFAOYSA-N 1 0 249.314 1.901 20 5 BDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1nccn1C ZINC000596544818 348584215 /nfs/dbraw/zinc/58/42/15/348584215.db2.gz UNKPPHVCZLMCPU-SSDOTTSWSA-N 1 0 248.246 1.291 20 5 BDBDRO Cc1nc(NCC2([NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000235945722 180017816 /nfs/dbraw/zinc/01/78/16/180017816.db2.gz RMSIIOSDQJJXEM-UHFFFAOYSA-N 1 0 236.275 1.592 20 5 BDBDRO O=[N+]([O-])c1ccc(CO[C@H]2CCC[NH2+]C2)cc1 ZINC000051787287 350112614 /nfs/dbraw/zinc/11/26/14/350112614.db2.gz NYWJMZXCPJSAAV-LBPRGKRZSA-N 1 0 236.271 1.863 20 5 BDBDRO Cc1c(OC[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000051890679 350549034 /nfs/dbraw/zinc/54/90/34/350549034.db2.gz GWLSSIHPYIHRQN-JTQLQIEISA-N 1 0 236.271 1.892 20 5 BDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251929885 362986237 /nfs/dbraw/zinc/98/62/37/362986237.db2.gz YQRRVZXYYMYYEC-ZWNOBZJWSA-N 1 0 249.314 1.764 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000035053888 351394458 /nfs/dbraw/zinc/39/44/58/351394458.db2.gz GLVTVSBNEDEEBM-JTQLQIEISA-N 1 0 249.270 1.594 20 5 BDBDRO CC[NH2+]Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000090299882 363033732 /nfs/dbraw/zinc/03/37/32/363033732.db2.gz HMIQGGIWLZLEND-UHFFFAOYSA-N 1 0 247.258 1.285 20 5 BDBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000386898606 363059245 /nfs/dbraw/zinc/05/92/45/363059245.db2.gz OKQWXDAODNTXJF-SKDRFNHKSA-N 1 0 238.287 1.844 20 5 BDBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000386911865 363060761 /nfs/dbraw/zinc/06/07/61/363060761.db2.gz QCDSLFCLSMTTCH-SKDRFNHKSA-N 1 0 238.287 1.844 20 5 BDBDRO Cc1c(CN2CCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000123449711 188046213 /nfs/dbraw/zinc/04/62/13/188046213.db2.gz NMDQDUDBQFZNJP-LBPRGKRZSA-N 1 0 249.314 1.826 20 5 BDBDRO CC[C@H](C)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539008 363382994 /nfs/dbraw/zinc/38/29/94/363382994.db2.gz XMEUXGAMUKVEOE-UWVGGRQHSA-N 1 0 240.307 1.816 20 5 BDBDRO C[NH+](C)CCSc1ncc([N+](=O)[O-])cc1F ZINC000413183225 191360834 /nfs/dbraw/zinc/36/08/34/191360834.db2.gz HZHYFLWDSQUPJW-UHFFFAOYSA-N 1 0 245.279 1.783 20 5 BDBDRO [NH2+]=C(NCc1ccccc1[N+](=O)[O-])NC1CC1 ZINC000052044424 181198549 /nfs/dbraw/zinc/19/85/49/181198549.db2.gz WOWPPSRUOKTYBP-UHFFFAOYSA-N 1 0 234.259 1.371 20 5 BDBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000352186354 134099737 /nfs/dbraw/zinc/09/97/37/134099737.db2.gz LITYYYRCHRIXNA-SNVBAGLBSA-N 1 0 238.287 1.798 20 5 BDBDRO C[C@@H]([NH3+])CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420365905 192223231 /nfs/dbraw/zinc/22/32/31/192223231.db2.gz SYVFEJMNBGXXNR-SNVBAGLBSA-N 1 0 249.314 1.906 20 5 BDBDRO C[C@@H](CNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000037988021 357020907 /nfs/dbraw/zinc/02/09/07/357020907.db2.gz FOEOWLNFUMLSKM-VIFPVBQESA-N 1 0 223.276 1.957 20 5 BDBDRO Cc1c(C[NH2+]C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000035648939 358015939 /nfs/dbraw/zinc/01/59/39/358015939.db2.gz UPUONFRXMHAZOU-QMMMGPOBSA-N 1 0 224.260 1.374 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cn[nH]c2)cc1 ZINC000038006012 361374851 /nfs/dbraw/zinc/37/48/51/361374851.db2.gz GJHPFUAIJJSUTM-UHFFFAOYSA-N 1 0 232.243 1.608 20 5 BDBDRO [NH3+]C1(CNCc2ccccc2[N+](=O)[O-])CCC1 ZINC000342140823 181332177 /nfs/dbraw/zinc/33/21/77/181332177.db2.gz QWBRADQUNZUOCQ-UHFFFAOYSA-N 1 0 235.287 1.566 20 5 BDBDRO [NH3+]CCCCNc1ccc([N+](=O)[O-])cn1 ZINC000037715138 181377144 /nfs/dbraw/zinc/37/71/44/181377144.db2.gz XBULMJRNGPREBF-UHFFFAOYSA-N 1 0 210.237 1.141 20 5 BDBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000107571830 368502896 /nfs/dbraw/zinc/50/28/96/368502896.db2.gz UBDCGIUGVZKDTD-PHIMTYICSA-N 1 0 247.298 1.559 20 5 BDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000404763884 369436243 /nfs/dbraw/zinc/43/62/43/369436243.db2.gz FBXKPQCWKJNTPD-NEPJUHHUSA-N 1 0 249.314 1.810 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000094663425 369867578 /nfs/dbraw/zinc/86/75/78/369867578.db2.gz FXPQDKMIWGXQIX-QWRGUYRKSA-N 1 0 247.298 1.559 20 5 BDBDRO [NH3+][C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000041027498 181579807 /nfs/dbraw/zinc/57/98/07/181579807.db2.gz PWPGHVNELGMWBX-LLVKDONJSA-N 1 0 235.287 1.518 20 5 BDBDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000600679023 371694877 /nfs/dbraw/zinc/69/48/77/371694877.db2.gz YAAKJNIITOJLFL-QWHCGFSZSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1cccc([N+](=O)[O-])c1 ZINC000601329842 371748344 /nfs/dbraw/zinc/74/83/44/371748344.db2.gz MZVMWAXJDZWFSG-MWLCHTKSSA-N 1 0 235.287 1.516 20 5 BDBDRO C[C@H]1C[C@H]([NH3+])CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000601330406 371749917 /nfs/dbraw/zinc/74/99/17/371749917.db2.gz SUCJDYBOECYSHY-ONGXEEELSA-N 1 0 235.287 1.516 20 5 BDBDRO Cc1ccc(CN2CC(C)(O)C2)cc1[N+](=O)[O-] ZINC000602689536 371829740 /nfs/dbraw/zinc/82/97/40/371829740.db2.gz WHVKIGDOVSDYSL-UHFFFAOYSA-N 1 0 236.271 1.470 20 5 BDBDRO C[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602427768 371802721 /nfs/dbraw/zinc/80/27/21/371802721.db2.gz APSOCBOQSGCHQU-VIFPVBQESA-N 1 0 238.291 1.560 20 5 BDBDRO CCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965678 371859681 /nfs/dbraw/zinc/85/96/81/371859681.db2.gz LDOJHBNZAKEBRB-GFCCVEGCSA-N 1 0 238.287 1.802 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603085999 371866178 /nfs/dbraw/zinc/86/61/78/371866178.db2.gz CRPDOOOLNRYJEV-GIPNMCIBSA-N 1 0 248.282 1.722 20 5 BDBDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000134180993 372174263 /nfs/dbraw/zinc/17/42/63/372174263.db2.gz YJBHGOXMACEMHL-JOYOIKCWSA-N 1 0 236.271 1.862 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc[nH]n2)cc1 ZINC000040675974 373586522 /nfs/dbraw/zinc/58/65/22/373586522.db2.gz OWLZMWLBIJMGLC-UHFFFAOYSA-N 1 0 246.270 1.650 20 5 BDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000071397032 182294615 /nfs/dbraw/zinc/29/46/15/182294615.db2.gz SXUMKRMTEYGMOS-SNVBAGLBSA-N 1 0 249.270 1.077 20 5 BDBDRO CCC[NH2+]CCNc1ncccc1[N+](=O)[O-] ZINC000054267521 169260624 /nfs/dbraw/zinc/26/06/24/169260624.db2.gz HCIYRYOWDLNBRP-UHFFFAOYSA-N 1 0 224.264 1.401 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)C(F)F ZINC000226577269 134366866 /nfs/dbraw/zinc/36/68/66/134366866.db2.gz HCPANKMNTAQVIA-VIFPVBQESA-N 1 0 246.213 1.310 20 5 BDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H](C)[NH2+]1 ZINC000226766602 384127724 /nfs/dbraw/zinc/12/77/24/384127724.db2.gz AQVNXUFIIWRTKQ-KNVOCYPGSA-N 1 0 242.304 1.238 20 5 BDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135222676 384181007 /nfs/dbraw/zinc/18/10/07/384181007.db2.gz CHTZBQCTPOZOAQ-JTQLQIEISA-N 1 0 249.270 1.076 20 5 BDBDRO C[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000178021742 384194224 /nfs/dbraw/zinc/19/42/24/384194224.db2.gz WIMAJICTUPDPNT-GFCCVEGCSA-N 1 0 236.271 1.552 20 5 BDBDRO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000235189639 384231117 /nfs/dbraw/zinc/23/11/17/384231117.db2.gz UKXSQOKUWBAEII-PWSUYJOCSA-N 1 0 249.314 1.997 20 5 BDBDRO C[C@H](CO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000082367485 384210791 /nfs/dbraw/zinc/21/07/91/384210791.db2.gz VQNIVVMOCASEBC-VIFPVBQESA-N 1 0 224.260 1.313 20 5 BDBDRO Cc1c[nH]nc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000289795371 384282507 /nfs/dbraw/zinc/28/25/07/384282507.db2.gz HYUJVUNTJXBWLG-UHFFFAOYSA-N 1 0 246.270 1.916 20 5 BDBDRO COC[C@@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000045657046 384402288 /nfs/dbraw/zinc/40/22/88/384402288.db2.gz ZPRLWVARKPHXMR-JTQLQIEISA-N 1 0 238.287 1.967 20 5 BDBDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000127246246 384411350 /nfs/dbraw/zinc/41/13/50/384411350.db2.gz WYILWNIMOGCPJO-SECBINFHSA-N 1 0 238.287 1.844 20 5 BDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000176199647 384466164 /nfs/dbraw/zinc/46/61/64/384466164.db2.gz DSOOYMKPECMPNR-UHFFFAOYSA-N 1 0 238.291 1.666 20 5 BDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000176222459 384481795 /nfs/dbraw/zinc/48/17/95/384481795.db2.gz GLAOCZSTQKNZOD-UHFFFAOYSA-N 1 0 226.280 1.522 20 5 BDBDRO C[C@H](O)[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000564848530 384575311 /nfs/dbraw/zinc/57/53/11/384575311.db2.gz DIQFHSKVLOWFAL-UWVGGRQHSA-N 1 0 238.287 1.496 20 5 BDBDRO C[C@H]([NH2+]C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261863356 384891593 /nfs/dbraw/zinc/89/15/93/384891593.db2.gz RMNZJHAHUOKKLR-QMMMGPOBSA-N 1 0 249.270 1.674 20 5 BDBDRO C[N@@H+]1CCCC[C@H]1CCn1cnc([N+](=O)[O-])n1 ZINC000408014571 385405940 /nfs/dbraw/zinc/40/59/40/385405940.db2.gz PTAFPUUSAFWLHW-VIFPVBQESA-N 1 0 239.279 1.061 20 5 BDBDRO C[C@@H]1[NH2+]CCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000396633929 385714508 /nfs/dbraw/zinc/71/45/08/385714508.db2.gz JSXOVQGLPHBIOX-GXFFZTMASA-N 1 0 249.314 1.825 20 5 BDBDRO CC1(NCc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000414947267 385803982 /nfs/dbraw/zinc/80/39/82/385803982.db2.gz VYZYIFCVNKGWQM-UHFFFAOYSA-N 1 0 249.314 1.827 20 5 BDBDRO C[C@@H](O)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000291281001 385852827 /nfs/dbraw/zinc/85/28/27/385852827.db2.gz QJVVSQQEGOJOJA-NXEZZACHSA-N 1 0 238.287 1.968 20 5 BDBDRO Cc1ccc(CNCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000414884910 386045743 /nfs/dbraw/zinc/04/57/43/386045743.db2.gz OIQFOHJXTGXWGJ-UHFFFAOYSA-N 1 0 249.314 1.874 20 5 BDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000087383781 386198379 /nfs/dbraw/zinc/19/83/79/386198379.db2.gz QDIYVEOGQMSOIV-LLVKDONJSA-N 1 0 249.270 1.062 20 5 BDBDRO C[C@@H]([NH3+])CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000063170141 386324498 /nfs/dbraw/zinc/32/44/98/386324498.db2.gz UILGHWPWSFFUOK-MRVPVSSYSA-N 1 0 237.259 1.062 20 5 BDBDRO C[C@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063170134 386323625 /nfs/dbraw/zinc/32/36/25/386323625.db2.gz JELROKYEZVKXEG-QMMMGPOBSA-N 1 0 237.259 1.062 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@H]2O)c1 ZINC000052926369 386371154 /nfs/dbraw/zinc/37/11/54/386371154.db2.gz RWPRAYQJJGDINS-NWDGAFQWSA-N 1 0 236.271 1.598 20 5 BDBDRO C[C@H](CNc1ncc([N+](=O)[O-])s1)C[NH+](C)C ZINC000292014879 386547765 /nfs/dbraw/zinc/54/77/65/386547765.db2.gz ZSBVDJSCTNNCOZ-SSDOTTSWSA-N 1 0 244.320 1.661 20 5 BDBDRO C[NH2+][C@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000123215187 386547876 /nfs/dbraw/zinc/54/78/76/386547876.db2.gz FJLPFWZZSITCGI-MNOVXSKESA-N 1 0 249.314 1.950 20 5 BDBDRO CC(C)[C@@H]([NH3+])CNCc1csc([N+](=O)[O-])c1 ZINC000414804755 386607616 /nfs/dbraw/zinc/60/76/16/386607616.db2.gz XUFIZJYJDNBCRV-VIFPVBQESA-N 1 0 243.332 1.729 20 5 BDBDRO C[C@@H]([NH2+]CCN1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000358344706 386934046 /nfs/dbraw/zinc/93/40/46/386934046.db2.gz XNKBIWRMDVWJGZ-LLVKDONJSA-N 1 0 249.314 1.951 20 5 BDBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CO)cc1[N+](=O)[O-] ZINC000035602291 387374196 /nfs/dbraw/zinc/37/41/96/387374196.db2.gz OSFXOTKADJIUEH-VHSXEESVSA-N 1 0 238.287 1.935 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+](C)C)n1 ZINC000169032562 387379213 /nfs/dbraw/zinc/37/92/13/387379213.db2.gz AISSXSZRAYWTKP-SECBINFHSA-N 1 0 238.291 1.660 20 5 BDBDRO CC[C@@H]([NH3+])CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414979417 387626571 /nfs/dbraw/zinc/62/65/71/387626571.db2.gz OASFVJYJDHGQNL-HOSRBBHYSA-N 1 0 249.314 1.935 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)[C@@H](C)[NH3+] ZINC000415013156 387664372 /nfs/dbraw/zinc/66/43/72/387664372.db2.gz KJQTYLOROBKQAR-ZJUUUORDSA-N 1 0 237.303 1.729 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000415015408 387664759 /nfs/dbraw/zinc/66/47/59/387664759.db2.gz YRWRVGDPHUOHKO-BQBZGAKWSA-N 1 0 229.305 1.482 20 5 BDBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[NH3+] ZINC000415104616 387706824 /nfs/dbraw/zinc/70/68/24/387706824.db2.gz HFGMEULWPAHCPZ-XQRVVYSFSA-N 1 0 235.287 1.499 20 5 BDBDRO CCOCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000036228362 387883101 /nfs/dbraw/zinc/88/31/01/387883101.db2.gz XQSNFOHPIJZIMU-UHFFFAOYSA-N 1 0 224.260 1.721 20 5 BDBDRO C[NH2+][C@@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000251495632 388345000 /nfs/dbraw/zinc/34/50/00/388345000.db2.gz DQCYAQLXYSABQO-ZYHUDNBSSA-N 1 0 249.314 1.950 20 5 BDBDRO CC[N@H+](C)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193396464 388345790 /nfs/dbraw/zinc/34/57/90/388345790.db2.gz OYFJCFYVAIERLW-UHFFFAOYSA-N 1 0 238.291 1.541 20 5 BDBDRO O=[N+]([O-])c1cc(CN2CC[C@H](CO)C2)cs1 ZINC000164320710 388390647 /nfs/dbraw/zinc/39/06/47/388390647.db2.gz IEFUGAUVNPWPIX-QMMMGPOBSA-N 1 0 242.300 1.471 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](C)O ZINC000245748846 388430452 /nfs/dbraw/zinc/43/04/52/388430452.db2.gz GGXSLSVCOICJHY-VHSXEESVSA-N 1 0 238.287 1.968 20 5 BDBDRO C[C@H](CCCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000094942175 388437113 /nfs/dbraw/zinc/43/71/13/388437113.db2.gz SXCIXTCAEXOEHN-SNVBAGLBSA-N 1 0 238.287 1.845 20 5 BDBDRO CN(CC[NH3+])c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000054419520 388519337 /nfs/dbraw/zinc/51/93/37/388519337.db2.gz MONFPTLSGCCOLT-UHFFFAOYSA-N 1 0 246.270 1.538 20 5 BDBDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CO1 ZINC000401826770 388610379 /nfs/dbraw/zinc/61/03/79/388610379.db2.gz BPIYOBACCNWVEX-KOLCDFICSA-N 1 0 236.271 1.862 20 5 BDBDRO C[C@H]([NH3+])C[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000422930015 388686439 /nfs/dbraw/zinc/68/64/39/388686439.db2.gz ASIXYZDTEZOJLF-UWVGGRQHSA-N 1 0 237.303 1.810 20 5 BDBDRO C[NH2+]CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423191827 388688129 /nfs/dbraw/zinc/68/81/29/388688129.db2.gz UFEYFSOVTQOVBX-SNVBAGLBSA-N 1 0 237.303 1.855 20 5 BDBDRO CC[C@H](N[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423359993 388691387 /nfs/dbraw/zinc/69/13/87/388691387.db2.gz DYXDMJBXWCLASM-CABZTGNLSA-N 1 0 237.303 1.983 20 5 BDBDRO C[C@H](C[NH3+])N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423333210 388691543 /nfs/dbraw/zinc/69/15/43/388691543.db2.gz RERYEQVOXZTGEM-RKDXNWHRSA-N 1 0 223.276 1.593 20 5 BDBDRO C[C@H](C[NH3+])N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423331964 388691801 /nfs/dbraw/zinc/69/18/01/388691801.db2.gz QLWNYVFQJUZHJO-RNCFNFMXSA-N 1 0 249.314 1.909 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]2O)c(F)c1 ZINC000424208807 388695186 /nfs/dbraw/zinc/69/51/86/388695186.db2.gz ZXXCDNHIKYIKQT-GHMZBOCLSA-N 1 0 240.234 1.347 20 5 BDBDRO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000424314126 388696484 /nfs/dbraw/zinc/69/64/84/388696484.db2.gz KKZKYQSQCNLTMN-XXILOJSOSA-N 1 0 236.271 1.769 20 5 BDBDRO C[C@H](C[NH3+])N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000430970904 388730502 /nfs/dbraw/zinc/73/05/02/388730502.db2.gz JBYWIMMVPMTAPX-MRVPVSSYSA-N 1 0 241.266 1.513 20 5 BDBDRO C[C@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+](C)C ZINC000282303494 388814478 /nfs/dbraw/zinc/81/44/78/388814478.db2.gz XNXRMNYVSGTCLB-MRVPVSSYSA-N 1 0 238.291 1.539 20 5 BDBDRO C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+](C)C ZINC000282303495 388815054 /nfs/dbraw/zinc/81/50/54/388815054.db2.gz XNXRMNYVSGTCLB-QMMMGPOBSA-N 1 0 238.291 1.539 20 5 BDBDRO CC[C@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000096478703 388820674 /nfs/dbraw/zinc/82/06/74/388820674.db2.gz NGOVTGGLYJNXFC-LBPRGKRZSA-N 1 0 238.287 1.845 20 5 BDBDRO C[NH+](C)CCSc1ncccc1[N+](=O)[O-] ZINC000299333433 388837839 /nfs/dbraw/zinc/83/78/39/388837839.db2.gz JBBCDDKIOFANHR-UHFFFAOYSA-N 1 0 227.289 1.644 20 5 BDBDRO Cc1c([C@@H](C)[NH2+]CCCO)cccc1[N+](=O)[O-] ZINC000268705182 177629578 /nfs/dbraw/zinc/62/95/78/177629578.db2.gz HSPBVEGJGLXWGW-SNVBAGLBSA-N 1 0 238.287 1.936 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH3+])C1 ZINC000052813032 132229466 /nfs/dbraw/zinc/22/94/66/132229466.db2.gz OKCMZMRHCUBSDK-VIFPVBQESA-N 1 0 236.275 1.226 20 5 BDBDRO Cc1cc(N2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000092027565 132238137 /nfs/dbraw/zinc/23/81/37/132238137.db2.gz HVSVDZXRHGZTAF-VIFPVBQESA-N 1 0 236.275 1.226 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+][C@@H](C)C2)c1 ZINC000094659268 132238984 /nfs/dbraw/zinc/23/89/84/132238984.db2.gz LAVDCKCLOMYXKM-JTQLQIEISA-N 1 0 235.287 1.701 20 5 BDBDRO C[N@@H+]1CCC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000218041830 134251474 /nfs/dbraw/zinc/25/14/74/134251474.db2.gz UXUWPCGBEKORFK-VIFPVBQESA-N 1 0 236.275 1.496 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C[NH3+])C1 ZINC000158933943 134755214 /nfs/dbraw/zinc/75/52/14/134755214.db2.gz ODCOULVQKVBGHJ-SNVBAGLBSA-N 1 0 235.287 1.688 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000261542845 135183482 /nfs/dbraw/zinc/18/34/82/135183482.db2.gz QQOMCLRLVMISSW-IONNQARKSA-N 1 0 236.275 1.082 20 5 BDBDRO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261544158 135185158 /nfs/dbraw/zinc/18/51/58/135185158.db2.gz XHEIGYAMHIRQSH-GXSJLCMTSA-N 1 0 235.287 1.374 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261554404 135193502 /nfs/dbraw/zinc/19/35/02/135193502.db2.gz AXDMLNPKUOUWRD-QWRGUYRKSA-N 1 0 247.298 1.783 20 5 BDBDRO [NH3+][C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261555503 135195467 /nfs/dbraw/zinc/19/54/67/135195467.db2.gz PTNDOWDJIXQMPI-VIFPVBQESA-N 1 0 239.250 1.267 20 5 BDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000261575563 135216776 /nfs/dbraw/zinc/21/67/76/135216776.db2.gz NFQZTXWILMKARG-PSASIEDQSA-N 1 0 249.270 1.157 20 5 BDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261582435 135223084 /nfs/dbraw/zinc/22/30/84/135223084.db2.gz RFABCGZOVCRCGW-KWQFWETISA-N 1 0 249.270 1.157 20 5 BDBDRO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000261590930 135231229 /nfs/dbraw/zinc/23/12/29/135231229.db2.gz UWASHDXBFVUCTD-NKWVEPMBSA-N 1 0 227.239 1.882 20 5 BDBDRO Cc1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261990402 135269981 /nfs/dbraw/zinc/26/99/81/135269981.db2.gz KEFYUAFMCBYSKY-ZYHUDNBSSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000086466616 135491799 /nfs/dbraw/zinc/49/17/99/135491799.db2.gz DDTIGYXZXOLBTF-WDEREUQCSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414942975 398026515 /nfs/dbraw/zinc/02/65/15/398026515.db2.gz DXNGHJCZXJPONU-PWSUYJOCSA-N 1 0 249.314 1.825 20 5 BDBDRO CCC(C)(C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000330963365 168285852 /nfs/dbraw/zinc/28/58/52/168285852.db2.gz CQFKVHBAOXMBHE-UHFFFAOYSA-N 1 0 240.307 1.949 20 5 BDBDRO CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000021798912 170127367 /nfs/dbraw/zinc/12/73/67/170127367.db2.gz LJAQTXKOTLFMDO-UHFFFAOYSA-N 1 0 210.233 1.713 20 5 BDBDRO CC[C@H](O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000131702870 171560746 /nfs/dbraw/zinc/56/07/46/171560746.db2.gz DDPKAQPEUDDWBQ-VIFPVBQESA-N 1 0 244.316 1.907 20 5 BDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH+](C)C ZINC000091557097 172248975 /nfs/dbraw/zinc/24/89/75/172248975.db2.gz XRMOBYXWBNGBOF-UHFFFAOYSA-N 1 0 241.295 1.093 20 5 BDBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000042375253 173154387 /nfs/dbraw/zinc/15/43/87/173154387.db2.gz POPCBFCPJNTHLR-QMMMGPOBSA-N 1 0 222.248 1.106 20 5 BDBDRO C[NH2+]CCN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000070303288 173353972 /nfs/dbraw/zinc/35/39/72/173353972.db2.gz QBRNYXXOTFLMNT-SNVBAGLBSA-N 1 0 237.303 1.807 20 5 BDBDRO C[NH2+][C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000226413766 173436178 /nfs/dbraw/zinc/43/61/78/173436178.db2.gz DQCYAQLXYSABQO-CMPLNLGQSA-N 1 0 249.314 1.950 20 5 BDBDRO COC[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677559 174547258 /nfs/dbraw/zinc/54/72/58/174547258.db2.gz GHIZIVHFPVJEFZ-JTQLQIEISA-N 1 0 238.287 1.762 20 5 BDBDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000159464497 176019359 /nfs/dbraw/zinc/01/93/59/176019359.db2.gz GGXSLSVCOICJHY-ZJUUUORDSA-N 1 0 238.287 1.968 20 5 BDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266887638 176171118 /nfs/dbraw/zinc/17/11/18/176171118.db2.gz CLSPIIWSMXTBJJ-SECBINFHSA-N 1 0 224.264 1.133 20 5 BDBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000267612012 176295291 /nfs/dbraw/zinc/29/52/91/176295291.db2.gz BOLMAYSWANSHIR-AOOOYVTPSA-N 1 0 238.291 1.379 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235359698 176316925 /nfs/dbraw/zinc/31/69/25/176316925.db2.gz VEUXLFKUQWFQIN-BREBYQMCSA-N 1 0 249.314 1.935 20 5 BDBDRO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267092388 177162085 /nfs/dbraw/zinc/16/20/85/177162085.db2.gz QDMVIOYXSCPUSV-VIFPVBQESA-N 1 0 224.264 1.133 20 5 BDBDRO C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235662583 177276985 /nfs/dbraw/zinc/27/69/85/177276985.db2.gz SPWLHYPCFYNRRR-CBAPKCEASA-N 1 0 239.250 1.517 20 5 BDBDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000340929678 177337005 /nfs/dbraw/zinc/33/70/05/177337005.db2.gz RTSMGQDBGYCPJR-JOYOIKCWSA-N 1 0 236.271 1.550 20 5 BDBDRO C[C@H]1C[C@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000336781917 177381632 /nfs/dbraw/zinc/38/16/32/177381632.db2.gz WBHOGUSVDVGKGC-IUCAKERBSA-N 1 0 224.264 1.037 20 5 BDBDRO C[NH2+][C@@H](C)CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000261543323 536344348 /nfs/dbraw/zinc/34/43/48/536344348.db2.gz CVJLVEMZCNTTOE-QMMMGPOBSA-N 1 0 239.275 1.623 20 5 BDBDRO C[C@@H]([NH3+])CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000215564509 582820289 /nfs/dbraw/zinc/82/02/89/582820289.db2.gz ASYNDMHMOCPHHW-WQAKUFEDSA-N 1 0 249.270 1.071 20 5 BDBDRO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@H]2C1 ZINC000893934580 583252429 /nfs/dbraw/zinc/25/24/29/583252429.db2.gz IDNMCALKBJNFIO-KOLCDFICSA-N 1 0 248.286 1.130 20 5 BDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC[N+](=O)[O-] ZINC000791051633 583383877 /nfs/dbraw/zinc/38/38/77/583383877.db2.gz HFXOBLSTUDNJGW-NSHDSACASA-N 1 0 229.324 1.069 20 5 BDBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnc[nH]2)c1 ZINC000894368046 583439611 /nfs/dbraw/zinc/43/96/11/583439611.db2.gz XJVQNYWNGBWABG-UHFFFAOYSA-N 1 0 246.270 1.650 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCOc1ccccc1F ZINC000899859963 584242489 /nfs/dbraw/zinc/24/24/89/584242489.db2.gz OBAQNLRUENCYFP-UHFFFAOYSA-N 1 0 228.223 1.071 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000899868264 584243558 /nfs/dbraw/zinc/24/35/58/584243558.db2.gz XEKKNDDJKQLEDG-SNVBAGLBSA-N 1 0 236.271 1.104 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CC(C2CCCCC2)C1 ZINC000899885382 584246578 /nfs/dbraw/zinc/24/65/78/584246578.db2.gz ANIXXHXBBQLWJI-UHFFFAOYSA-N 1 0 212.293 1.775 20 5 BDBDRO CC(C)[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000755919616 585310681 /nfs/dbraw/zinc/31/06/81/585310681.db2.gz JDNFIEPIBCNTHV-SNVBAGLBSA-N 1 0 238.291 1.727 20 5 BDBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000761076215 585405836 /nfs/dbraw/zinc/40/58/36/585405836.db2.gz JMCOGTGSIJXBAH-NSHDSACASA-N 1 0 249.314 1.731 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000791054804 585972985 /nfs/dbraw/zinc/97/29/85/585972985.db2.gz YHLDIROACVUDDD-CYBMUJFWSA-N 1 0 234.299 1.970 20 5 BDBDRO CC[C@H](C(=O)O[C@H](C)C[N+](=O)[O-])[NH+](CC)CC ZINC000814039338 586612387 /nfs/dbraw/zinc/61/23/87/586612387.db2.gz NWPNNHFZBXCFDM-NXEZZACHSA-N 1 0 246.307 1.315 20 5 BDBDRO C[C@H]([NH3+])CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817971333 586859803 /nfs/dbraw/zinc/85/98/03/586859803.db2.gz CJRNIXGCQDNBJN-YUMQZZPRSA-N 1 0 238.291 1.175 20 5 BDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCC2)c1 ZINC000819033824 586926365 /nfs/dbraw/zinc/92/63/65/586926365.db2.gz KMKLJHGUVKKZEX-GFCCVEGCSA-N 1 0 236.271 1.770 20 5 BDBDRO C[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841067193 587943256 /nfs/dbraw/zinc/94/32/56/587943256.db2.gz XDAPVDMYMWHNRI-ZETCQYMHSA-N 1 0 243.694 1.685 20 5 BDBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000841688898 587972003 /nfs/dbraw/zinc/97/20/03/587972003.db2.gz HUVZACNFVJNSND-KXUCPTDWSA-N 1 0 238.291 1.725 20 5 BDBDRO C[C@@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000841688902 587972171 /nfs/dbraw/zinc/97/21/71/587972171.db2.gz HUVZACNFVJNSND-UTLUCORTSA-N 1 0 238.291 1.725 20 5 BDBDRO [NH2+]=C(NCc1ccccc1[N+](=O)[O-])NC1CCC1 ZINC000848984743 588424825 /nfs/dbraw/zinc/42/48/25/588424825.db2.gz OQNNKRKJVIJYJK-UHFFFAOYSA-N 1 0 248.286 1.761 20 5 BDBDRO [NH2+]=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC1 ZINC000848996270 588429185 /nfs/dbraw/zinc/42/91/85/588429185.db2.gz PQDPHHIMNGPTBL-UHFFFAOYSA-N 1 0 248.286 1.367 20 5 BDBDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000864452607 589365655 /nfs/dbraw/zinc/36/56/55/589365655.db2.gz ORXKEDAQLHZXNN-KWQFWETISA-N 1 0 248.286 1.617 20 5 BDBDRO Cc1ccc(CNC(=O)C2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000867996225 589543060 /nfs/dbraw/zinc/54/30/60/589543060.db2.gz USEBKTLUTBTOCY-UHFFFAOYSA-N 1 0 249.270 1.011 20 5 BDBDRO C[NH2+]CCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000020525357 590118781 /nfs/dbraw/zinc/11/87/81/590118781.db2.gz YMQLDUCMVSNBDD-UHFFFAOYSA-N 1 0 228.223 1.722 20 5 BDBDRO CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876894155 590255158 /nfs/dbraw/zinc/25/51/58/590255158.db2.gz PPNUDHQPXUMYPU-UHFFFAOYSA-N 1 0 224.264 1.494 20 5 BDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CC=CC3)C2)c1 ZINC000877095427 590281801 /nfs/dbraw/zinc/28/18/01/590281801.db2.gz YDHPYMIVCHFQLR-UHFFFAOYSA-N 1 0 248.286 1.803 20 5 BDBDRO O=[N+]([O-])c1cc(CN2CC=C[C@H]2CO)cs1 ZINC000880484842 591059128 /nfs/dbraw/zinc/05/91/28/591059128.db2.gz BQZDPRHFINERHH-VIFPVBQESA-N 1 0 240.284 1.389 20 5 BDBDRO CON(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000883172515 591562256 /nfs/dbraw/zinc/56/22/56/591562256.db2.gz JNYZBRQZNONKEH-UHFFFAOYSA-N 1 0 239.275 1.178 20 5 BDBDRO Cc1ccnc(NC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000133788925 591857623 /nfs/dbraw/zinc/85/76/23/591857623.db2.gz DGGLGRKNWXWREI-SECBINFHSA-N 1 0 236.275 1.320 20 5 BDBDRO C[C@H]([NH3+])CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000309189618 631926057 /nfs/dbraw/zinc/92/60/57/631926057.db2.gz IGYVVGLRJNJFPO-VIFPVBQESA-N 1 0 223.276 1.374 20 5 BDBDRO O=[N+]([O-])c1ccc(F)cc1OC[C@@H]1CC[NH2+]C1 ZINC000051890670 631999827 /nfs/dbraw/zinc/99/98/27/631999827.db2.gz ABNIBPMISGQSLK-MRVPVSSYSA-N 1 0 240.234 1.722 20 5 BDBDRO CC(C)[C@H](CO)[C@@H]([NH2+]CC[N+](=O)[O-])C(C)C ZINC000930638530 633965611 /nfs/dbraw/zinc/96/56/11/633965611.db2.gz IBALQJCQMLLODT-QWRGUYRKSA-N 1 0 232.324 1.142 20 5 BDBDRO C[NH2+][C@@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000054053211 635339260 /nfs/dbraw/zinc/33/92/60/635339260.db2.gz KTIZGPNSPGNQFH-ZETCQYMHSA-N 1 0 248.242 1.925 20 5 BDBDRO Cc1ccc(C[NH2+]CCCO)cc1[N+](=O)[O-] ZINC000034994613 636355043 /nfs/dbraw/zinc/35/50/43/636355043.db2.gz UIKDQJOWZXYTSX-UHFFFAOYSA-N 1 0 224.260 1.375 20 5 BDBDRO C[C@H](C[NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000054334698 636410727 /nfs/dbraw/zinc/41/07/27/636410727.db2.gz OYIGHYHYBSRPET-SSDOTTSWSA-N 1 0 248.242 1.707 20 5 BDBDRO CC(C)[C@H]1[N@H+](CC[N+](=O)[O-])CC1(C)C ZINC000899886188 637147521 /nfs/dbraw/zinc/14/75/21/637147521.db2.gz SAQVQULSHITBKT-SECBINFHSA-N 1 0 200.282 1.630 20 5 BDBDRO CC(C)[C@@H]1[N@H+](CC[N+](=O)[O-])CC1(C)C ZINC000899886189 637148317 /nfs/dbraw/zinc/14/83/17/637148317.db2.gz SAQVQULSHITBKT-VIFPVBQESA-N 1 0 200.282 1.630 20 5 BDBDRO C[C@H](Cc1cccs1)[NH2+]CC[N+](=O)[O-] ZINC000905037147 637555817 /nfs/dbraw/zinc/55/58/17/637555817.db2.gz WDZOOCGXZYFBSD-MRVPVSSYSA-N 1 0 214.290 1.545 20 5 BDBDRO CC(C)Oc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905052176 637569068 /nfs/dbraw/zinc/56/90/68/637569068.db2.gz MYDULDPJDIVWGG-UHFFFAOYSA-N 1 0 238.287 1.840 20 5 BDBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NCC[N+](=O)[O-] ZINC000905066041 637600061 /nfs/dbraw/zinc/60/00/61/637600061.db2.gz AURMHVZRZILNOU-UTUOFQBUSA-N 1 0 243.351 1.219 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccccc1-n1cccn1 ZINC000905069670 637601835 /nfs/dbraw/zinc/60/18/35/637601835.db2.gz FPECUZBDONZDOP-UHFFFAOYSA-N 1 0 246.270 1.239 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000905101310 637611813 /nfs/dbraw/zinc/61/18/13/637611813.db2.gz JHWPFNOBRNHSKL-SNVBAGLBSA-N 1 0 236.271 1.419 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1coc2ccccc12 ZINC000905118051 637623563 /nfs/dbraw/zinc/62/35/63/637623563.db2.gz UMBFKHDZLAUVHG-UHFFFAOYSA-N 1 0 220.228 1.799 20 5 BDBDRO C[C@@]1(C[NH2+]CC[N+](=O)[O-])CCCS1 ZINC000905158303 637638795 /nfs/dbraw/zinc/63/87/95/637638795.db2.gz IPLGUXDQTMVMPW-QMMMGPOBSA-N 1 0 204.295 1.138 20 5 BDBDRO C[C@@]1(c2ccccc2)C[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905135221 637643706 /nfs/dbraw/zinc/64/37/06/637643706.db2.gz JBICYVLJCJYRKX-RYUDHWBXSA-N 1 0 220.272 1.583 20 5 BDBDRO CCC(CC)(C[NH2+]CC[N+](=O)[O-])SC ZINC000905132696 637643975 /nfs/dbraw/zinc/64/39/75/637643975.db2.gz BDWFNNZVTZMKAG-UHFFFAOYSA-N 1 0 220.338 1.775 20 5 BDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])Oc1ccccc1F ZINC000905138340 637645658 /nfs/dbraw/zinc/64/56/58/637645658.db2.gz PZJUERVOKJPEKK-VIFPVBQESA-N 1 0 242.250 1.459 20 5 BDBDRO Cc1ccccc1O[C@H](C)C[NH2+]CC[N+](=O)[O-] ZINC000905136475 637646010 /nfs/dbraw/zinc/64/60/10/637646010.db2.gz KYCIAETVTFVIDH-LLVKDONJSA-N 1 0 238.287 1.629 20 5 BDBDRO Cc1noc(C)c1C[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905136852 637646057 /nfs/dbraw/zinc/64/60/57/637646057.db2.gz RTKVLGUNBQQWFD-ZETCQYMHSA-N 1 0 227.264 1.089 20 5 BDBDRO Cc1noc(C)c1C[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905136851 637646555 /nfs/dbraw/zinc/64/65/55/637646555.db2.gz RTKVLGUNBQQWFD-SSDOTTSWSA-N 1 0 227.264 1.089 20 5 BDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000905140807 637648969 /nfs/dbraw/zinc/64/89/69/637648969.db2.gz XPOKCMLHUIDBNF-SECBINFHSA-N 1 0 242.250 1.459 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCC(F)(F)C1 ZINC000905176454 637685007 /nfs/dbraw/zinc/68/50/07/637685007.db2.gz RVOKIYPNVDPWDY-ZETCQYMHSA-N 1 0 208.208 1.431 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000905229865 637689805 /nfs/dbraw/zinc/68/98/05/637689805.db2.gz KRWIISKHJGMUTM-NSHDSACASA-N 1 0 242.319 1.735 20 5 BDBDRO C[C@H]1C[C@@H](CC[NH2+]CC[N+](=O)[O-])CCO1 ZINC000905207765 637697961 /nfs/dbraw/zinc/69/79/61/637697961.db2.gz INVATLIQZPRNNH-UWVGGRQHSA-N 1 0 216.281 1.058 20 5 BDBDRO Cc1csc([C@@H](C)C[NH2+]CC[N+](=O)[O-])n1 ZINC000905209680 637698062 /nfs/dbraw/zinc/69/80/62/637698062.db2.gz RUVQSBBYRQGKRW-ZETCQYMHSA-N 1 0 229.305 1.421 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(F)c(F)c1F ZINC000905207761 637698476 /nfs/dbraw/zinc/69/84/76/637698476.db2.gz INOGQNBZQFIJHB-UHFFFAOYSA-N 1 0 248.204 1.513 20 5 BDBDRO O=[N+]([O-])CCNCc1ccc(Cl)cc1F ZINC000905219858 637701884 /nfs/dbraw/zinc/70/18/84/637701884.db2.gz SSXNSJZFEDBFNH-UHFFFAOYSA-N 1 0 232.642 1.845 20 5 BDBDRO Cc1cccc(CCC[NH2+]CC[N+](=O)[O-])n1 ZINC000905255382 637713030 /nfs/dbraw/zinc/71/30/30/637713030.db2.gz KWYWXYXOMFHUMH-UHFFFAOYSA-N 1 0 223.276 1.189 20 5 BDBDRO O=C(CC[NH2+]CC[N+](=O)[O-])OC1CCCCC1 ZINC000905253797 637713089 /nfs/dbraw/zinc/71/30/89/637713089.db2.gz HBQBEXCRCGZOEO-UHFFFAOYSA-N 1 0 244.291 1.119 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1COc2ccccc21 ZINC000905262286 637716293 /nfs/dbraw/zinc/71/62/93/637716293.db2.gz ULEANTXLXVNJGL-SECBINFHSA-N 1 0 222.244 1.029 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1cccnc1 ZINC000905291555 637725678 /nfs/dbraw/zinc/72/56/78/637725678.db2.gz NCNMZVUJCSGNQV-UHFFFAOYSA-N 1 0 223.276 1.226 20 5 BDBDRO CC(C)(CC[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905276480 637733738 /nfs/dbraw/zinc/73/37/38/637733738.db2.gz YHWUUPZZHXYRBX-UHFFFAOYSA-N 1 0 200.282 1.679 20 5 BDBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]CC[N+](=O)[O-])CCO1 ZINC000905277993 637734486 /nfs/dbraw/zinc/73/44/86/637734486.db2.gz DOPWSQDDBXXDCS-QWRGUYRKSA-N 1 0 230.308 1.304 20 5 BDBDRO COc1cccc([C@@H]2C[C@H]2[NH2+]CC[N+](=O)[O-])c1 ZINC000905279772 637735378 /nfs/dbraw/zinc/73/53/78/637735378.db2.gz MBTCLPRRVKXICZ-NWDGAFQWSA-N 1 0 236.271 1.417 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])C1=CCCC1 ZINC000905278193 637735676 /nfs/dbraw/zinc/73/56/76/637735676.db2.gz CJTNBIOCWUGMTD-UHFFFAOYSA-N 1 0 212.293 1.989 20 5 BDBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CC[N+](=O)[O-] ZINC000905380509 637782299 /nfs/dbraw/zinc/78/22/99/637782299.db2.gz GMLQADIXUSRELZ-CMPLNLGQSA-N 1 0 238.287 1.017 20 5 BDBDRO C[C@@H](CCO)C1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905366302 637789982 /nfs/dbraw/zinc/78/99/82/637789982.db2.gz NICOVBIFCJKYMR-JTQLQIEISA-N 1 0 230.308 1.042 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1ccsc1 ZINC000905394341 637807101 /nfs/dbraw/zinc/80/71/01/637807101.db2.gz GALZAYASHACBJV-DTWKUNHWSA-N 1 0 212.274 1.470 20 5 BDBDRO CSC1(C[NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000905480204 637819346 /nfs/dbraw/zinc/81/93/46/637819346.db2.gz DZXAWMJAIGPXBM-UHFFFAOYSA-N 1 0 232.349 1.919 20 5 BDBDRO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000042545234 639409238 /nfs/dbraw/zinc/40/92/38/639409238.db2.gz JEJIHNFPAMOIDC-CMPLNLGQSA-N 1 0 249.314 1.950 20 5 BDBDRO O=[N+]([O-])CCN1CC[C@@H](c2ccccn2)C1 ZINC000930317009 639700546 /nfs/dbraw/zinc/70/05/46/639700546.db2.gz WBOKHMLSRDIXIJ-SNVBAGLBSA-N 1 0 221.260 1.148 20 5 BDBDRO O=[N+]([O-])CCN1CC[C@H](c2ccccn2)C1 ZINC000930317008 639701457 /nfs/dbraw/zinc/70/14/57/639701457.db2.gz WBOKHMLSRDIXIJ-JTQLQIEISA-N 1 0 221.260 1.148 20 5 BDBDRO CC1(C2CC2)CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930517648 639794968 /nfs/dbraw/zinc/79/49/68/639794968.db2.gz PUTBPECXTJKEQN-UHFFFAOYSA-N 1 0 212.293 1.775 20 5 BDBDRO Cc1c(C[NH2+]C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000035648931 639797481 /nfs/dbraw/zinc/79/74/81/639797481.db2.gz ZIBPSQHIMWVUPM-UHFFFAOYSA-N 1 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643296944 /nfs/dbraw/zinc/29/69/44/643296944.db2.gz IUKJDUAQEJYQBP-LLVKDONJSA-N 1 0 249.270 1.661 20 5 BDBDRO [NH3+][C@@H](CC1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000306089915 643298407 /nfs/dbraw/zinc/29/84/07/643298407.db2.gz IUKJDUAQEJYQBP-NSHDSACASA-N 1 0 249.270 1.661 20 5 BDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000230065259 644144046 /nfs/dbraw/zinc/14/40/46/644144046.db2.gz YHFZKYMTJUKFNU-UHFFFAOYSA-N 1 0 249.270 1.206 20 5 BDBDRO CC1(C)CN(c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000084531852 644426436 /nfs/dbraw/zinc/42/64/36/644426436.db2.gz LSMAJBKCYYJNCC-UHFFFAOYSA-N 1 0 235.287 1.783 20 5 BDBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000087129590 644479737 /nfs/dbraw/zinc/47/97/37/644479737.db2.gz QAXMMDQTKQKQNP-BDAKNGLRSA-N 1 0 224.260 1.454 20 5 BDBDRO [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000093215868 644681841 /nfs/dbraw/zinc/68/18/41/644681841.db2.gz JKACJQIPAZOZPO-VXGBXAGGSA-N 1 0 249.314 1.954 20 5 BDBDRO CCC(CC)[N@H+](CC[N+](=O)[O-])C1CC1 ZINC000929477028 646133527 /nfs/dbraw/zinc/13/35/27/646133527.db2.gz VGGGDHLGHUAFGX-UHFFFAOYSA-N 1 0 200.282 1.916 20 5 BDBDRO CC[N@@H+]1CC[C@H](N(C)CC[N+](=O)[O-])C[C@H]1C ZINC000929782300 646307415 /nfs/dbraw/zinc/30/74/15/646307415.db2.gz UNOFHRHEJPMFDS-MNOVXSKESA-N 1 0 229.324 1.068 20 5 BDBDRO C[N@@H+]1CC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000712593775 712435592 /nfs/dbraw/zinc/43/55/92/712435592.db2.gz ILLIOGFLRRPZDH-QMMMGPOBSA-N 1 0 222.248 1.106 20 5 BDBDRO C[C@@H]1CCC[C@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000899872424 711803835 /nfs/dbraw/zinc/80/38/35/711803835.db2.gz AWYDDFJMHRMADC-ZJUUUORDSA-N 1 0 200.282 1.679 20 5 BDBDRO CC[N@@H+]1CC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000712594323 712435463 /nfs/dbraw/zinc/43/54/63/712435463.db2.gz LFDKDNOGQWDAQI-VIFPVBQESA-N 1 0 236.275 1.496 20 5 BDBDRO CN1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000712613999 712438064 /nfs/dbraw/zinc/43/80/64/712438064.db2.gz JUYVSYMSRRWWSD-SECBINFHSA-N 1 0 239.250 1.850 20 5 BDBDRO Cc1ccc(C[NH2+]C[C@@H]2CCN2C)cc1[N+](=O)[O-] ZINC000712525942 712441210 /nfs/dbraw/zinc/44/12/10/712441210.db2.gz DSVCOVXSLPHVRR-LBPRGKRZSA-N 1 0 249.314 1.697 20 5 BDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000715126422 712511467 /nfs/dbraw/zinc/51/14/67/712511467.db2.gz ZFWCXZWUAASNDS-CZMCAQCFSA-N 1 0 249.270 1.062 20 5 BDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886331989 712654498 /nfs/dbraw/zinc/65/44/98/712654498.db2.gz NIGFLDMGWFOSCB-PHIMTYICSA-N 1 0 248.282 1.925 20 5 BDBDRO Cc1ccc(-c2nc(CC[NH3+])no2)cc1[N+](=O)[O-] ZINC000041201772 712719314 /nfs/dbraw/zinc/71/93/14/712719314.db2.gz OZCUMDKBTKHZQK-UHFFFAOYSA-N 1 0 248.242 1.454 20 5 BDBDRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000719604330 712815914 /nfs/dbraw/zinc/81/59/14/712815914.db2.gz UUUDAXZAUGDMCN-PWSUYJOCSA-N 1 0 249.314 1.777 20 5 BDBDRO CN(c1cc([N+](=O)[O-])ccn1)C(C)(C)C[NH3+] ZINC000714242518 963637532 /nfs/dbraw/zinc/63/75/32/963637532.db2.gz QIRHFLUSAGQTNV-UHFFFAOYSA-N 1 0 224.264 1.163 20 5 BDBDRO C[N+](C)(C)CCO[C@@H]1COc2cnccc21 ZINC001224774822 964938568 /nfs/dbraw/zinc/93/85/68/964938568.db2.gz YIQOVVGOVDBNQP-GFCCVEGCSA-N 1 0 223.296 1.238 20 5 BDBDRO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977355 969295557 /nfs/dbraw/zinc/29/55/57/969295557.db2.gz AXCBSTORQJCTLR-KXNHARMFSA-N 1 0 242.319 1.446 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001168956844 969307519 /nfs/dbraw/zinc/30/75/19/969307519.db2.gz FZNMXRDIKNQWSY-WDEREUQCSA-N 1 0 212.293 1.822 20 5 BDBDRO CCOCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958273 969307876 /nfs/dbraw/zinc/30/78/76/969307876.db2.gz MEYCBUXXJFBUPK-WDEREUQCSA-N 1 0 230.308 1.448 20 5 BDBDRO CCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168961917 969313428 /nfs/dbraw/zinc/31/34/28/969313428.db2.gz LEDIBSHKSSNWQS-UWVGGRQHSA-N 1 0 200.282 1.822 20 5 BDBDRO CC1(C)C[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)O1 ZINC001168970432 969322857 /nfs/dbraw/zinc/32/28/57/969322857.db2.gz HGYPJVLUNYHWDA-GMTAPVOTSA-N 1 0 242.319 1.589 20 5 BDBDRO CC(C)(O)[C@H](F)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169000981 969325814 /nfs/dbraw/zinc/32/58/14/969325814.db2.gz BXEOKCYXQSLAEU-KXUCPTDWSA-N 1 0 248.298 1.130 20 5 BDBDRO CO[C@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169006412 969328611 /nfs/dbraw/zinc/32/86/11/969328611.db2.gz HZWFFJUTNIFJHC-NAKRPEOUSA-N 1 0 246.282 1.101 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@H](O)C2)C1 ZINC001169010283 969338251 /nfs/dbraw/zinc/33/82/51/969338251.db2.gz CEGTXZBVNKVKDJ-IJLUTSLNSA-N 1 0 242.319 1.279 20 5 BDBDRO COC[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169010143 969340188 /nfs/dbraw/zinc/34/01/88/969340188.db2.gz BLTDNKVWQOLNPI-UTUOFQBUSA-N 1 0 242.319 1.400 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2CF)C1 ZINC001169054661 969371839 /nfs/dbraw/zinc/37/18/39/969371839.db2.gz NFXMVJUMTSCXLL-OUAUKWLOSA-N 1 0 230.283 1.866 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)OCO2 ZINC001227299371 975359685 /nfs/dbraw/zinc/35/96/85/975359685.db2.gz QNHPZNZOZFQRLS-JTQLQIEISA-N 1 0 238.307 1.889 20 5 BDBDRO CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C(C)C)[NH+](C)C ZINC001345689661 980671326 /nfs/dbraw/zinc/67/13/26/980671326.db2.gz LXLOGEOAYWROBC-UWVGGRQHSA-N 1 0 246.307 1.171 20 5 BDBDRO C[C@H](COC(C)(C)C)OCC[N+](C)(C)C ZINC001224770509 973934489 /nfs/dbraw/zinc/93/44/89/973934489.db2.gz BCDNZTJZDWJVEV-LLVKDONJSA-N 1 0 218.361 1.913 20 5 BDBDRO C[N+](C)(C)CCO[C@@H]1CCCC[C@H]1F ZINC001224775512 973941861 /nfs/dbraw/zinc/94/18/61/973941861.db2.gz LWNJANDDNAISOA-GHMZBOCLSA-N 1 0 204.309 1.990 20 5 BDBDRO CCC[C@H](CC(=O)OC)OCC[N+](C)(C)C ZINC001224776722 973943626 /nfs/dbraw/zinc/94/36/26/973943626.db2.gz YRKZUELRXLTKGI-LLVKDONJSA-N 1 0 232.344 1.441 20 5 BDBDRO CCOC(=O)[C@@H](OCC[N+](C)(C)C)C1CC1 ZINC001224773929 973944696 /nfs/dbraw/zinc/94/46/96/973944696.db2.gz NIUDQFFHQOGTSY-NSHDSACASA-N 1 0 230.328 1.051 20 5 BDBDRO Cc1nc(N2CC3(C2)C[NH+](C)C3)ccc1[N+](=O)[O-] ZINC001158859854 971517663 /nfs/dbraw/zinc/51/76/63/971517663.db2.gz PALBHQLINGJANG-UHFFFAOYSA-N 1 0 248.286 1.050 20 5 BDBDRO C[C@@H]1C[C@H](Oc2ccc(N)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001218049632 971590896 /nfs/dbraw/zinc/59/08/96/971590896.db2.gz LZAYAEGCCCTIEY-APPZFPTMSA-N 1 0 237.259 1.306 20 5 BDBDRO O=[N+]([O-])c1c(Cl)nccc1O[C@H]1CC[NH2+]C1 ZINC001218180117 971615860 /nfs/dbraw/zinc/61/58/60/971615860.db2.gz GZCUYQSCXRAHOW-LURJTMIESA-N 1 0 243.650 1.384 20 5 BDBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C2)ccc1F ZINC001218279956 971673960 /nfs/dbraw/zinc/67/39/60/971673960.db2.gz WCJTVXPNDAGRJD-VIFPVBQESA-N 1 0 240.234 1.865 20 5 BDBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1C[NH2+][C@H]1C ZINC001218391987 971771173 /nfs/dbraw/zinc/77/11/73/971771173.db2.gz NSWJOKKZXGRYRK-JOYOIKCWSA-N 1 0 236.271 1.951 20 5 BDBDRO CNc1cc([N+](=O)[O-])cnc1NCC[C@@H](C)[NH3+] ZINC001170888678 972035126 /nfs/dbraw/zinc/03/51/26/972035126.db2.gz AHSIHSILEXPTAE-SSDOTTSWSA-N 1 0 239.279 1.181 20 5 BDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC23CC3)c1 ZINC001346237948 957481259 /nfs/dbraw/zinc/48/12/59/957481259.db2.gz TUDBKXJGYSKYSI-VXGBXAGGSA-N 1 0 248.282 1.770 20 5 BDBDRO COc1ncc(Nc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC001210135060 957647914 /nfs/dbraw/zinc/64/79/14/957647914.db2.gz MGMLAGBDCFVNSP-UHFFFAOYSA-N 1 0 249.230 1.476 20 5 BDBDRO [NH3+]Cc1cccn1-c1ncccc1[N+](=O)[O-] ZINC001167590433 958978635 /nfs/dbraw/zinc/97/86/35/958978635.db2.gz ZEBZGFLQPHTQLJ-UHFFFAOYSA-N 1 0 218.216 1.239 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CC[NH2+]C1)C2 ZINC001327086929 972401480 /nfs/dbraw/zinc/40/14/80/972401480.db2.gz HEALLJZOUPPVHO-SNVBAGLBSA-N 1 0 247.298 1.520 20 5 BDBDRO C[NH2+]CCNc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001167721633 960206641 /nfs/dbraw/zinc/20/66/41/960206641.db2.gz KGHWBEWMRVDVTJ-UHFFFAOYSA-N 1 0 235.247 1.102 20 5 BDBDRO C[NH2+]CCNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001167724081 960236609 /nfs/dbraw/zinc/23/66/09/960236609.db2.gz HEPWEQXGZYDMBI-UHFFFAOYSA-N 1 0 246.270 1.774 20 5 BDBDRO CC(=O)N1CCc2cc(NC=[NH2+])cc([N+](=O)[O-])c21 ZINC001167866756 961351765 /nfs/dbraw/zinc/35/17/65/961351765.db2.gz DKLSCLLMRJDBRZ-UHFFFAOYSA-N 1 0 248.242 1.523 20 5 BDBDRO C[NH2+]CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000710687885 962443389 /nfs/dbraw/zinc/44/33/89/962443389.db2.gz IRNNWELHXWVFJP-UHFFFAOYSA-N 1 0 246.270 1.774 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1-n1cccc1C[NH3+] ZINC001156723724 963445031 /nfs/dbraw/zinc/44/50/31/963445031.db2.gz CVQNIPBFVCFMNO-UHFFFAOYSA-N 1 0 232.243 1.548 20 5 BDBDRO C[NH2+]CCNc1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001156892317 963483518 /nfs/dbraw/zinc/48/35/18/963483518.db2.gz XFWVDPPHZSLNMW-UHFFFAOYSA-N 1 0 244.682 1.583 20 5 BDBDRO Cc1c(C)c(-n2ccc(C[NH3+])c2)ncc1[N+](=O)[O-] ZINC001158766447 963919243 /nfs/dbraw/zinc/91/92/43/963919243.db2.gz CKMLVTBXSDFKSI-UHFFFAOYSA-N 1 0 246.270 1.856 20 5 BDBDRO CC(C)([NH3+])CNc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001160032261 964243420 /nfs/dbraw/zinc/24/34/20/964243420.db2.gz OATVXFCTVIDELP-UHFFFAOYSA-N 1 0 249.274 1.620 20 5 BDBDRO [NH3+]C/C=C/CNc1nccc(Cl)c1[N+](=O)[O-] ZINC001160977439 964466775 /nfs/dbraw/zinc/46/67/75/964466775.db2.gz NVHTWRKUSUGDON-OWOJBTEDSA-N 1 0 242.666 1.570 20 5 BDBDRO CO[C@H](C)CO[C@@H](C)COCC[N+](C)(C)C ZINC001224773870 964937528 /nfs/dbraw/zinc/93/75/28/964937528.db2.gz MXFZJIXSEJVADX-NEPJUHHUSA-N 1 0 234.360 1.149 20 5 BDBDRO [NH3+][C@H]1CCC[C@@H](Nc2nccnc2[N+](=O)[O-])C1 ZINC001162390953 964952082 /nfs/dbraw/zinc/95/20/82/964952082.db2.gz KMAMPJAWHNZAEJ-JGVFFNPUSA-N 1 0 237.263 1.067 20 5 BDBDRO Cc1cccc(-n2nccc2C[NH3+])c1[N+](=O)[O-] ZINC001162592388 965064908 /nfs/dbraw/zinc/06/49/08/965064908.db2.gz BVQKLQXLRXEIPE-UHFFFAOYSA-N 1 0 232.243 1.548 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC001163253730 965317953 /nfs/dbraw/zinc/31/79/53/965317953.db2.gz HFYWCKYEIORLGA-MIMYLULJSA-N 1 0 248.286 1.400 20 5 BDBDRO C[NH2+]CCN(C)c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001163719236 965533135 /nfs/dbraw/zinc/53/31/35/965533135.db2.gz SYJCWERUPABAOP-UHFFFAOYSA-N 1 0 244.682 1.299 20 5 BDBDRO Cc1cnc(N2CCC[C@@H]3[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC001165387410 966080108 /nfs/dbraw/zinc/08/01/08/966080108.db2.gz NFWMDNWBJOSSDI-GXSJLCMTSA-N 1 0 248.286 1.239 20 5 BDBDRO Cc1ccnc(N2CC[C@H]3C[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC001165326661 968281448 /nfs/dbraw/zinc/28/14/48/968281448.db2.gz GDJBEPJSHOPMOE-JOYOIKCWSA-N 1 0 248.286 1.226 20 5 BDBDRO [NH3+]Cc1ccn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168981991 969299662 /nfs/dbraw/zinc/29/96/62/969299662.db2.gz HUAQINNGIZGVRB-KOLCDFICSA-N 1 0 223.276 1.565 20 5 BDBDRO CCN(CC)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168955423 969303471 /nfs/dbraw/zinc/30/34/71/969303471.db2.gz AKZFWRSEEDYBTJ-NEPJUHHUSA-N 1 0 243.351 1.363 20 5 BDBDRO CC(C)(C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957987 969306285 /nfs/dbraw/zinc/30/62/85/969306285.db2.gz 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Cc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccn1 ZINC001168963682 969314977 /nfs/dbraw/zinc/31/49/77/969314977.db2.gz PRNQGVMFWUFWTA-CHWSQXEVSA-N 1 0 249.314 1.925 20 5 BDBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168964937 969317965 /nfs/dbraw/zinc/31/79/65/969317965.db2.gz WPSHJTKGSGCOEE-AAEUAGOBSA-N 1 0 249.314 1.925 20 5 BDBDRO CCC[N@H+](CCC[NH3+])[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965924 969318018 /nfs/dbraw/zinc/31/80/18/969318018.db2.gz DKTUHIKLCZNHBW-VXGBXAGGSA-N 1 0 243.351 1.493 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CC=CC2)C1 ZINC001168966330 969318225 /nfs/dbraw/zinc/31/82/25/969318225.db2.gz IBRLVZWLQBROEL-MWLCHTKSSA-N 1 0 210.277 1.740 20 5 BDBDRO CC1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168965309 969319261 /nfs/dbraw/zinc/31/92/61/969319261.db2.gz ZOGMEDBVUTWZPN-NXEZZACHSA-N 1 0 212.293 1.822 20 5 BDBDRO CC(C)[N@H+](CCN)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966032 969319428 /nfs/dbraw/zinc/31/94/28/969319428.db2.gz 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O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)C1 ZINC001168974616 969324995 /nfs/dbraw/zinc/32/49/95/969324995.db2.gz RISMJDCKGDBEAA-KKOKHZNYSA-N 1 0 242.319 1.325 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@H](F)C2)C1 ZINC001168973922 969325004 /nfs/dbraw/zinc/32/50/04/969325004.db2.gz PMKDGUFRXYBAHJ-NAKRPEOUSA-N 1 0 230.283 1.770 20 5 BDBDRO COC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)C ZINC001169002003 969327017 /nfs/dbraw/zinc/32/70/17/969327017.db2.gz JAFRXVHCIYCEFI-QJPTWQEYSA-N 1 0 244.335 1.692 20 5 BDBDRO CCC[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006806 969330670 /nfs/dbraw/zinc/33/06/70/969330670.db2.gz JISDTJIWQWBAQY-NXEZZACHSA-N 1 0 200.282 1.774 20 5 BDBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccno1 ZINC001169008067 969334330 /nfs/dbraw/zinc/33/43/30/969334330.db2.gz RJYFDXCBMGNDDJ-AEJSXWLSSA-N 1 0 239.275 1.771 20 5 BDBDRO COC[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169010142 969337639 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O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCO1)C2 ZINC001254584986 969746320 /nfs/dbraw/zinc/74/63/20/969746320.db2.gz UVLSDMBJEUHXAZ-DGCLKSJQSA-N 1 0 248.282 1.441 20 5 BDBDRO C[N@H+](CCF)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610460 969747920 /nfs/dbraw/zinc/74/79/20/969747920.db2.gz LXLHMQDUPHGXSO-GFCCVEGCSA-N 1 0 238.262 1.963 20 5 BDBDRO COc1cc([N+](=O)[O-])cnc1-n1ccc(C[NH3+])c1 ZINC001169717348 969832762 /nfs/dbraw/zinc/83/27/62/969832762.db2.gz BNJHDJZMDRYIKE-UHFFFAOYSA-N 1 0 248.242 1.248 20 5 BDBDRO Nc1c[nH+]cn1-c1cccc([N+](=O)[O-])c1F ZINC001210380498 969880950 /nfs/dbraw/zinc/88/09/50/969880950.db2.gz DKKSLISOFWVXRB-UHFFFAOYSA-N 1 0 222.179 1.502 20 5 BDBDRO C[NH2+]CCNc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001156892238 970023748 /nfs/dbraw/zinc/02/37/48/970023748.db2.gz SAXVLRONNQYTHK-UHFFFAOYSA-N 1 0 247.258 1.169 20 5 BDBDRO CC(C)([NH3+])CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC001171196585 972856662 /nfs/dbraw/zinc/85/66/62/972856662.db2.gz YJKWCLIQNPKYFS-UHFFFAOYSA-N 1 0 244.682 1.792 20 5 BDBDRO CCC[C@H](OCCC[N+](C)(C)C)C(=O)OCC ZINC001224623095 973804279 /nfs/dbraw/zinc/80/42/79/973804279.db2.gz LAXGUPBVPJGSQP-LBPRGKRZSA-N 1 0 246.371 1.831 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCC[C@@H]1CCOC1 ZINC001224702856 973871051 /nfs/dbraw/zinc/87/10/51/973871051.db2.gz IBTBGTAEECUCIY-NEPJUHHUSA-N 1 0 216.345 1.524 20 5 BDBDRO C[N@@H+]1CCCC[C@H]1CO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001224708320 973879036 /nfs/dbraw/zinc/87/90/36/973879036.db2.gz XHAQYDUDXMPZHR-RYUDHWBXSA-N 1 0 242.319 1.543 20 5 BDBDRO COC(C[C@H](C)OCC[N+](C)(C)C)OC ZINC001224776732 973942722 /nfs/dbraw/zinc/94/27/22/973942722.db2.gz ZEZGMTVZZGDBIK-JTQLQIEISA-N 1 0 220.333 1.107 20 5 BDBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)nn1 ZINC001225644824 974616552 /nfs/dbraw/zinc/61/65/52/974616552.db2.gz OSFWVZWSHXLRPL-SNVBAGLBSA-N 1 0 210.301 1.259 20 5 BDBDRO Cc1cnnc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001226717944 975047693 /nfs/dbraw/zinc/04/76/93/975047693.db2.gz KCXZLFLTJAXWCW-JTQLQIEISA-N 1 0 210.301 1.259 20 5 BDBDRO C[C@@H](C[NH+](C)C)Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226751829 975056439 /nfs/dbraw/zinc/05/64/39/975056439.db2.gz UDUAWGWAFCSQLD-ZETCQYMHSA-N 1 0 243.238 1.458 20 5 BDBDRO C[N@@H+]1CC[C@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226755208 975058617 /nfs/dbraw/zinc/05/86/17/975058617.db2.gz KFYNNEQWNYMCRX-QMMMGPOBSA-N 1 0 241.222 1.212 20 5 BDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(C)C1 ZINC001173215404 975070027 /nfs/dbraw/zinc/07/00/27/975070027.db2.gz WGEZYZORZGTNSE-SNVBAGLBSA-N 1 0 249.314 1.429 20 5 BDBDRO Cc1[nH]c(=O)nc(O[C@@H](C)C[N+](C)(C)C)c1C ZINC001226982463 975203392 /nfs/dbraw/zinc/20/33/92/975203392.db2.gz SFFLSMBRWQBXGB-QMMMGPOBSA-O 1 0 240.327 1.273 20 5 BDBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001332897112 975312748 /nfs/dbraw/zinc/31/27/48/975312748.db2.gz IJPOIEAORPJLDB-ZJUUUORDSA-N 1 0 232.349 1.917 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1O ZINC001227489527 975450159 /nfs/dbraw/zinc/45/01/59/975450159.db2.gz GVWURZJMNVKMME-JTQLQIEISA-O 1 0 210.297 1.866 20 5 BDBDRO Cc1c(O)cc(O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001228488481 976252517 /nfs/dbraw/zinc/25/25/17/976252517.db2.gz MDXTWKZOVWLXFV-VIFPVBQESA-O 1 0 240.323 1.880 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1c(F)cccc1Cl ZINC001334789759 976662472 /nfs/dbraw/zinc/66/24/72/976662472.db2.gz VSKVGPHNXFOYII-UHFFFAOYSA-N 1 0 246.669 1.888 20 5 BDBDRO COc1ccccc1[C@@H]1C[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001335987241 977404000 /nfs/dbraw/zinc/40/40/00/977404000.db2.gz VHSAATUXJBCPLL-WDEREUQCSA-N 1 0 236.271 1.417 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC001336813923 977979768 /nfs/dbraw/zinc/97/97/68/977979768.db2.gz NONPCCHLGWGUFX-GHMZBOCLSA-N 1 0 228.292 1.200 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccnc([N+](=O)[O-])c1 ZINC001233859780 978710117 /nfs/dbraw/zinc/71/01/17/978710117.db2.gz QNOPGKGPHGGHHK-VIFPVBQESA-N 1 0 240.283 1.463 20 5 BDBDRO CO[C@@H](C)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001338985725 978764935 /nfs/dbraw/zinc/76/49/35/978764935.db2.gz UGHWXOMNFWODGO-VIFPVBQESA-N 1 0 236.271 1.945 20 5 BDBDRO Cc1nccc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](C)C1 ZINC001234903379 978927077 /nfs/dbraw/zinc/92/70/77/978927077.db2.gz LVSNPXPKXLEKBN-VIFPVBQESA-N 1 0 237.259 1.381 20 5 BDBDRO Cc1nccc([N+](=O)[O-])c1O[C@H](C)C[NH+](C)C ZINC001234901930 978927979 /nfs/dbraw/zinc/92/79/79/978927979.db2.gz ULCHXRGKDPFEGN-MRVPVSSYSA-N 1 0 239.275 1.627 20 5 BDBDRO Cc1cc(NC(=O)[C@H]2CC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001343777938 980238035 /nfs/dbraw/zinc/23/80/35/980238035.db2.gz VMIGEXIYAFILHH-SNVBAGLBSA-N 1 0 235.243 1.204 20 5 BDBDRO C[C@H]1C[N@H+](CC[N+](=O)[O-])CC(C)(C)C1 ZINC001354590517 983326191 /nfs/dbraw/zinc/32/61/91/983326191.db2.gz HLPAYYQXPNLXAW-SECBINFHSA-N 1 0 200.282 1.631 20 5 BDBDRO CC[C@H](N)C[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246972688 988799716 /nfs/dbraw/zinc/79/97/16/988799716.db2.gz DUZDAPGGGPYKOA-OUAUKWLOSA-N 1 0 229.324 1.101 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001119668816 989314993 /nfs/dbraw/zinc/31/49/93/989314993.db2.gz XHZZEDOUKSPVPS-GHMZBOCLSA-N 1 0 212.293 1.775 20 5 BDBDRO C[C@H](NC1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001574107964 992804992 /nfs/dbraw/zinc/80/49/92/992804992.db2.gz OVSSLKGVLWGINJ-QMMMGPOBSA-N 1 0 221.260 1.217 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[NH2+]C1 ZINC000124721725 178272345 /nfs/dbraw/zinc/27/23/45/178272345.db2.gz PFNXXYCZTMLHSG-JTQLQIEISA-N 1 0 235.287 1.925 20 5 BDBDRO Cc1cc(OCC2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000304459239 342838188 /nfs/dbraw/zinc/83/81/88/342838188.db2.gz LZXMLVOHQCWWDM-UHFFFAOYSA-N 1 0 222.244 1.501 20 5 BDBDRO CC(C)[N@H+](C)CCNc1cccnc1[N+](=O)[O-] ZINC000134497545 342859001 /nfs/dbraw/zinc/85/90/01/342859001.db2.gz VRTSIQMBPNYFLZ-UHFFFAOYSA-N 1 0 238.291 1.742 20 5 BDBDRO CC[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020195886 398316153 /nfs/dbraw/zinc/31/61/53/398316153.db2.gz ZDOLXRIAUNTRCY-SNVBAGLBSA-N 1 0 224.260 1.455 20 5 BDBDRO CC[C@H](CCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000123852311 398312714 /nfs/dbraw/zinc/31/27/14/398312714.db2.gz WNZKCPXAKABCRZ-LLVKDONJSA-N 1 0 238.287 1.845 20 5 BDBDRO COc1cccc(NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000134900683 342920607 /nfs/dbraw/zinc/92/06/07/342920607.db2.gz YSTIYQUSRZZPCH-UHFFFAOYSA-N 1 0 239.275 1.577 20 5 BDBDRO CN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])s1 ZINC000192520977 365739925 /nfs/dbraw/zinc/73/99/25/365739925.db2.gz OWCQSEJPAODAPH-UHFFFAOYSA-N 1 0 244.320 1.439 20 5 BDBDRO C[C@@H](CNc1cccnc1[N+](=O)[O-])C[NH+](C)C ZINC000310139920 343303053 /nfs/dbraw/zinc/30/30/53/343303053.db2.gz MUUYLENTJXOWEZ-VIFPVBQESA-N 1 0 238.291 1.599 20 5 BDBDRO Cc1c(C[N@H+](C)CCO)cccc1[N+](=O)[O-] ZINC000048347152 343578829 /nfs/dbraw/zinc/57/88/29/343578829.db2.gz KSTAYVLLFNFZNV-UHFFFAOYSA-N 1 0 224.260 1.327 20 5 BDBDRO CC(C)(C[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000063020100 187273827 /nfs/dbraw/zinc/27/38/27/187273827.db2.gz DUAZIHKBKMKHQW-UHFFFAOYSA-N 1 0 243.288 1.123 20 5 BDBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC1CC1)CC2 ZINC000612469101 344899500 /nfs/dbraw/zinc/89/95/00/344899500.db2.gz OQQWDKYHKSFGAL-UHFFFAOYSA-N 1 0 233.271 1.758 20 5 BDBDRO CC(C)(CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000135226912 187298712 /nfs/dbraw/zinc/29/87/12/187298712.db2.gz VMSVNUSNDQJTRK-UHFFFAOYSA-N 1 0 238.287 1.845 20 5 BDBDRO Cc1cccc(N2CC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000235928091 179121930 /nfs/dbraw/zinc/12/19/30/179121930.db2.gz CZQMCEMXUKFRRE-SECBINFHSA-N 1 0 221.260 1.441 20 5 BDBDRO O=[N+]([O-])c1ncccc1N1CCn2cncc2C1 ZINC000589605512 346717811 /nfs/dbraw/zinc/71/78/11/346717811.db2.gz VVQWHJNJZHQXFY-UHFFFAOYSA-N 1 0 245.242 1.207 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)nc1 ZINC000591439889 347661706 /nfs/dbraw/zinc/66/17/06/347661706.db2.gz ZUXMMYWOSMHTFS-MWLCHTKSSA-N 1 0 248.286 1.178 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)cn1 ZINC000591437426 347660375 /nfs/dbraw/zinc/66/03/75/347660375.db2.gz HGXSBTYFNQZGTP-KOLCDFICSA-N 1 0 248.286 1.178 20 5 BDBDRO C[C@@H]([NH3+])CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000591581499 347678401 /nfs/dbraw/zinc/67/84/01/347678401.db2.gz ZFRVFDYOWDPSIJ-NOZJJQNGSA-N 1 0 249.314 1.909 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CCC2(CC[NH2+]2)CC1 ZINC000591560524 347670415 /nfs/dbraw/zinc/67/04/15/347670415.db2.gz KSNHDCJBKSCZSW-UHFFFAOYSA-N 1 0 247.298 1.927 20 5 BDBDRO Cc1nn(CC2C[NH2+]C2)c2ccc([N+](=O)[O-])cc12 ZINC000592160292 347745941 /nfs/dbraw/zinc/74/59/41/347745941.db2.gz JBGGYXXOBCERBJ-UHFFFAOYSA-N 1 0 246.270 1.472 20 5 BDBDRO C[C@@H](CCO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000593110314 347861132 /nfs/dbraw/zinc/86/11/32/347861132.db2.gz UMDAXIZNDJVCPB-JTQLQIEISA-N 1 0 238.287 1.798 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C/C=C\CO ZINC000594974965 348162382 /nfs/dbraw/zinc/16/23/82/348162382.db2.gz PBCCGRZXPOFYRX-IHWYPQMZSA-N 1 0 236.271 1.541 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]C/C=C/CO)c1 ZINC000594974567 348162611 /nfs/dbraw/zinc/16/26/11/348162611.db2.gz MDSSKKPZAJQRBG-OWOJBTEDSA-N 1 0 222.244 1.233 20 5 BDBDRO C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596077296 348439065 /nfs/dbraw/zinc/43/90/65/348439065.db2.gz UOIJOIUHUPDVPT-ZETCQYMHSA-N 1 0 240.263 1.057 20 5 BDBDRO O=[N+]([O-])c1ccc(CNCC23CC(C2)C[NH2+]3)cc1 ZINC000596106085 348440168 /nfs/dbraw/zinc/44/01/68/348440168.db2.gz PGOXGPYIVCADKR-UHFFFAOYSA-N 1 0 247.298 1.436 20 5 BDBDRO C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1nccn1C ZINC000596542695 348583552 /nfs/dbraw/zinc/58/35/52/348583552.db2.gz OLPDLLCCNUJVKW-QMMMGPOBSA-N 1 0 247.258 1.896 20 5 BDBDRO C[NH2+]C[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596655370 348599672 /nfs/dbraw/zinc/59/96/72/348599672.db2.gz VZNOFPIXYFBCFV-VHSXEESVSA-N 1 0 237.303 1.853 20 5 BDBDRO C[NH2+]C[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000596653951 348607823 /nfs/dbraw/zinc/60/78/23/348607823.db2.gz MPXCCCDIIWSURM-NXEZZACHSA-N 1 0 237.303 1.853 20 5 BDBDRO CN1CC(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000597202483 348676276 /nfs/dbraw/zinc/67/62/76/348676276.db2.gz CKOXOBVEVGMCRB-UHFFFAOYSA-N 1 0 249.314 1.588 20 5 BDBDRO C[NH2+]C[C@@H](C)CNc1ncc([N+](=O)[O-])cc1F ZINC000420185448 192171825 /nfs/dbraw/zinc/17/18/25/192171825.db2.gz BSWCFHNBOADEQS-SSDOTTSWSA-N 1 0 242.254 1.396 20 5 BDBDRO C[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CO1 ZINC000402206860 350043515 /nfs/dbraw/zinc/04/35/15/350043515.db2.gz IBMDPUDDEMBKHC-CBAPKCEASA-N 1 0 242.300 1.923 20 5 BDBDRO Cc1nc(NC[C@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000129340150 180018979 /nfs/dbraw/zinc/01/89/79/180018979.db2.gz FUWFWSJFYGESBG-VIFPVBQESA-N 1 0 236.275 1.447 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H]1CC[N@@H+](C)C1 ZINC000352933292 180176602 /nfs/dbraw/zinc/17/66/02/180176602.db2.gz XLJGSVJGWKNAFI-VIFPVBQESA-N 1 0 224.264 1.051 20 5 BDBDRO C[N@@H+]1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609493299 350428920 /nfs/dbraw/zinc/42/89/20/350428920.db2.gz FPEKPLTVXWHVIF-SECBINFHSA-N 1 0 249.270 1.485 20 5 BDBDRO Cc1nn(C[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000331331609 180390649 /nfs/dbraw/zinc/39/06/49/180390649.db2.gz OUUHCGKSGFWFCX-SSDOTTSWSA-N 1 0 212.253 1.050 20 5 BDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000382408837 350600331 /nfs/dbraw/zinc/60/03/31/350600331.db2.gz CMCFCWJHQHEQJB-RKDXNWHRSA-N 1 0 236.275 1.672 20 5 BDBDRO O=[N+]([O-])c1ccccc1CNCCC[NH2+]C1CC1 ZINC000382596222 350883253 /nfs/dbraw/zinc/88/32/53/350883253.db2.gz MAGYJMBFSBGYGJ-UHFFFAOYSA-N 1 0 249.314 1.827 20 5 BDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000129014927 350961349 /nfs/dbraw/zinc/96/13/49/350961349.db2.gz SEEPCEUODUGQAX-PWSUYJOCSA-N 1 0 249.314 1.906 20 5 BDBDRO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC(C)C ZINC000355789740 351432651 /nfs/dbraw/zinc/43/26/51/351432651.db2.gz QZWDTOYINKDYGO-UHFFFAOYSA-N 1 0 240.307 1.806 20 5 BDBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000386835047 363048999 /nfs/dbraw/zinc/04/89/99/363048999.db2.gz ILXGVVSMAKFICH-MWLCHTKSSA-N 1 0 238.287 1.844 20 5 BDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC3CC3)nc2c1 ZINC000278774562 188030602 /nfs/dbraw/zinc/03/06/02/188030602.db2.gz UWXLWQWAWWOCJS-UHFFFAOYSA-N 1 0 246.270 1.971 20 5 BDBDRO NC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000349572604 181189048 /nfs/dbraw/zinc/18/90/48/181189048.db2.gz HMEVZRCYEHXRHM-UHFFFAOYSA-N 1 0 242.666 1.274 20 5 BDBDRO C[C@H](CNc1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000037985893 356457820 /nfs/dbraw/zinc/45/78/20/356457820.db2.gz ZXMQZXIYETXCMU-MRVPVSSYSA-N 1 0 224.264 1.352 20 5 BDBDRO C[C@@H]([NH2+][C@@H](C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000035602131 358002364 /nfs/dbraw/zinc/00/23/64/358002364.db2.gz UNUYPZPPVKSWTB-DTWKUNHWSA-N 1 0 224.260 1.626 20 5 BDBDRO C[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000035602130 358002537 /nfs/dbraw/zinc/00/25/37/358002537.db2.gz UNUYPZPPVKSWTB-BDAKNGLRSA-N 1 0 224.260 1.626 20 5 BDBDRO CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)COC1 ZINC000070987664 359068954 /nfs/dbraw/zinc/06/89/54/359068954.db2.gz PDAOHARNZMKGFK-UHFFFAOYSA-N 1 0 236.271 1.721 20 5 BDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000035792393 359454192 /nfs/dbraw/zinc/45/41/92/359454192.db2.gz PGSAGHXPDZKDFA-JGVFFNPUSA-N 1 0 237.259 1.119 20 5 BDBDRO C[C@@H](NC(=O)[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037766520 364599785 /nfs/dbraw/zinc/59/97/85/364599785.db2.gz XWEQJADSMKZYHX-JGVFFNPUSA-N 1 0 237.259 1.119 20 5 BDBDRO C[NH2+]CCCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000573681118 364891087 /nfs/dbraw/zinc/89/10/87/364891087.db2.gz PRQTXDNVHPBPSA-UHFFFAOYSA-N 1 0 245.666 1.019 20 5 BDBDRO [NH3+]CCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035697383 181387320 /nfs/dbraw/zinc/38/73/20/181387320.db2.gz GZVHHTRFORKJJM-UHFFFAOYSA-N 1 0 248.242 1.536 20 5 BDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000050245737 181435192 /nfs/dbraw/zinc/43/51/92/181435192.db2.gz VSSCVNUPGNRYOR-VIFPVBQESA-N 1 0 249.270 1.016 20 5 BDBDRO Cc1ccc([C@@H](C)[NH2+]CC(N)=O)cc1[N+](=O)[O-] ZINC000020083349 370234960 /nfs/dbraw/zinc/23/49/60/370234960.db2.gz JVCDDWQVBSNIGT-MRVPVSSYSA-N 1 0 237.259 1.039 20 5 BDBDRO [NH3+][C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000041027989 181579302 /nfs/dbraw/zinc/57/93/02/181579302.db2.gz NFBNGTUZWJWMJZ-SECBINFHSA-N 1 0 241.316 1.579 20 5 BDBDRO C[C@H]1C[C@H](C)[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473416 371810571 /nfs/dbraw/zinc/81/05/71/371810571.db2.gz QWFINZBFSMRSRS-IUCAKERBSA-N 1 0 238.291 1.559 20 5 BDBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]1C ZINC000602486428 371813911 /nfs/dbraw/zinc/81/39/11/371813911.db2.gz UFIFTMWNXHQEPQ-BDAKNGLRSA-N 1 0 238.291 1.559 20 5 BDBDRO COC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000230689022 371948963 /nfs/dbraw/zinc/94/89/63/371948963.db2.gz VJIIWCWIYQWZLO-UHFFFAOYSA-N 1 0 236.271 1.862 20 5 BDBDRO CC(C)(CO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000133529097 372069143 /nfs/dbraw/zinc/06/91/43/372069143.db2.gz MXKSHKWDIODADR-UHFFFAOYSA-N 1 0 244.316 1.764 20 5 BDBDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000042165876 182017804 /nfs/dbraw/zinc/01/78/04/182017804.db2.gz NXPNUEVGFCVIBR-VIFPVBQESA-N 1 0 249.270 1.675 20 5 BDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000071397036 182294524 /nfs/dbraw/zinc/29/45/24/182294524.db2.gz QCXXPHQKQKNFIG-SECBINFHSA-N 1 0 249.270 1.077 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[NH2+]C2)nc1 ZINC000082303999 182936427 /nfs/dbraw/zinc/93/64/27/182936427.db2.gz IEEMJYWGFRUMOC-QMMMGPOBSA-N 1 0 222.248 1.011 20 5 BDBDRO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[NH2+]C1 ZINC000052093746 182924745 /nfs/dbraw/zinc/92/47/45/182924745.db2.gz YHZHVVLLUHQEIC-MRVPVSSYSA-N 1 0 225.223 1.508 20 5 BDBDRO O=[N+]([O-])c1ccccc1CO[C@@H]1CCC[NH2+]C1 ZINC000051787400 182949890 /nfs/dbraw/zinc/94/98/90/182949890.db2.gz RSELBRRTQMNKEW-LLVKDONJSA-N 1 0 236.271 1.863 20 5 BDBDRO CCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174835649 169079061 /nfs/dbraw/zinc/07/90/61/169079061.db2.gz ILMJPFCFXZKGJV-UHFFFAOYSA-N 1 0 212.253 1.133 20 5 BDBDRO CCC[NH2+]CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000090692580 169260394 /nfs/dbraw/zinc/26/03/94/169260394.db2.gz PRJIEHMNNLJBCC-UHFFFAOYSA-N 1 0 238.291 1.710 20 5 BDBDRO CCC[NH2+]CCNc1ncc([N+](=O)[O-])s1 ZINC000226779715 169260489 /nfs/dbraw/zinc/26/04/89/169260489.db2.gz MJIXVALLDSHCAQ-UHFFFAOYSA-N 1 0 230.293 1.463 20 5 BDBDRO CCN(CC[NH3+])C(=O)c1cccc([N+](=O)[O-])c1 ZINC000074534956 169839710 /nfs/dbraw/zinc/83/97/10/169839710.db2.gz HYXITAOEWWMMTJ-UHFFFAOYSA-N 1 0 237.259 1.016 20 5 BDBDRO Cn1cncc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000112344414 383920775 /nfs/dbraw/zinc/92/07/75/383920775.db2.gz XDTFUBVCVMICJV-UHFFFAOYSA-N 1 0 246.270 1.618 20 5 BDBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000339562923 383994198 /nfs/dbraw/zinc/99/41/98/383994198.db2.gz OWZZQFCLJUXDLB-BDAKNGLRSA-N 1 0 224.264 1.132 20 5 BDBDRO Cc1cnc(NCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000235922401 384067809 /nfs/dbraw/zinc/06/78/09/384067809.db2.gz VCOYWNXQVKDZLX-UHFFFAOYSA-N 1 0 236.275 1.592 20 5 BDBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CC[NH2+]C1 ZINC000082304006 384118657 /nfs/dbraw/zinc/11/86/57/384118657.db2.gz CDXDNTIBLCJGHV-MRVPVSSYSA-N 1 0 222.248 1.011 20 5 BDBDRO Cc1ccn(C[C@@H](C)[NH+](C)C)c(=O)c1[N+](=O)[O-] ZINC000358848356 384343560 /nfs/dbraw/zinc/34/35/60/384343560.db2.gz BFIYLNKICQEXLW-SECBINFHSA-N 1 0 239.275 1.015 20 5 BDBDRO CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000070892919 384370053 /nfs/dbraw/zinc/37/00/53/384370053.db2.gz IKGAPHGPMNTMBG-VIFPVBQESA-N 1 0 241.316 1.450 20 5 BDBDRO C[C@H]([NH2+][C@@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000179063524 384381530 /nfs/dbraw/zinc/38/15/30/384381530.db2.gz BCXBRRYCZCYUSW-GZMMTYOYSA-N 1 0 249.270 1.134 20 5 BDBDRO [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422737434 384468409 /nfs/dbraw/zinc/46/84/09/384468409.db2.gz IFCKVHLTUWFCOK-CHWSQXEVSA-N 1 0 249.314 1.607 20 5 BDBDRO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044386086 384657664 /nfs/dbraw/zinc/65/76/64/384657664.db2.gz CTSZGVNWDGPCJK-NSHDSACASA-N 1 0 235.287 1.389 20 5 BDBDRO C[C@@H](C[NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262586554 384686954 /nfs/dbraw/zinc/68/69/54/384686954.db2.gz VMVNDKFHEKGTEU-QMMMGPOBSA-N 1 0 249.270 1.079 20 5 BDBDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000340929680 384715339 /nfs/dbraw/zinc/71/53/39/384715339.db2.gz RTSMGQDBGYCPJR-SKDRFNHKSA-N 1 0 236.271 1.550 20 5 BDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000147974848 384865099 /nfs/dbraw/zinc/86/50/99/384865099.db2.gz BDUOQMCPAXGYJZ-SNVBAGLBSA-N 1 0 249.270 1.029 20 5 BDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000106883047 384934693 /nfs/dbraw/zinc/93/46/93/384934693.db2.gz DGMWKVYIAOSUPM-GFCCVEGCSA-N 1 0 236.271 1.816 20 5 BDBDRO Cc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000062112494 385063367 /nfs/dbraw/zinc/06/33/67/385063367.db2.gz RUPPYXFPWLVGDP-VIFPVBQESA-N 1 0 249.270 1.451 20 5 BDBDRO C[C@@H]([NH2+]C[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000086622718 385029863 /nfs/dbraw/zinc/02/98/63/385029863.db2.gz YDLDIBHORHVSKL-VHSXEESVSA-N 1 0 238.287 1.874 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[NH2+]C2)cc1 ZINC000052093708 385148917 /nfs/dbraw/zinc/14/89/17/385148917.db2.gz SEPBANHYPUZZMQ-SECBINFHSA-N 1 0 207.233 1.369 20 5 BDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C2CC2)CC1 ZINC000516894127 385168524 /nfs/dbraw/zinc/16/85/24/385168524.db2.gz QAOHUPLWRYFJQI-UHFFFAOYSA-N 1 0 236.275 1.361 20 5 BDBDRO C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+](C)C ZINC000288168792 385273410 /nfs/dbraw/zinc/27/34/10/385273410.db2.gz AJAZAEHONZTSQW-QMMMGPOBSA-N 1 0 238.291 1.539 20 5 BDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cn1)C[NH+](C)C ZINC000291857873 385745769 /nfs/dbraw/zinc/74/57/69/385745769.db2.gz MUYRZAIAJWKFQC-SECBINFHSA-N 1 0 238.291 1.599 20 5 BDBDRO CC1(NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000414944728 385784193 /nfs/dbraw/zinc/78/41/93/385784193.db2.gz QHWTVUBNVFCREH-UHFFFAOYSA-N 1 0 249.314 1.827 20 5 BDBDRO C[C@H]1[NH2+]CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000396716827 385793860 /nfs/dbraw/zinc/79/38/60/385793860.db2.gz UFVWCYXORHFXOB-ZYHUDNBSSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518796025 385903042 /nfs/dbraw/zinc/90/30/42/385903042.db2.gz NLWMUUUMRWQSPO-KWQFWETISA-N 1 0 236.271 1.553 20 5 BDBDRO Cc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414871618 385862490 /nfs/dbraw/zinc/86/24/90/385862490.db2.gz DPMVAWIPVPCILM-VIFPVBQESA-N 1 0 237.303 1.588 20 5 BDBDRO CCC[NH2+]CCNCc1ccccc1[N+](=O)[O-] ZINC000414880655 385975330 /nfs/dbraw/zinc/97/53/30/385975330.db2.gz KEXDSOVWTMMARV-UHFFFAOYSA-N 1 0 237.303 1.684 20 5 BDBDRO C[C@H]([NH3+])CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000063170140 386324832 /nfs/dbraw/zinc/32/48/32/386324832.db2.gz UILGHWPWSFFUOK-QMMMGPOBSA-N 1 0 237.259 1.062 20 5 BDBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000063170565 386323968 /nfs/dbraw/zinc/32/39/68/386323968.db2.gz HYEPXBMZWNYTSC-ZCFIWIBFSA-N 1 0 243.288 1.123 20 5 BDBDRO CC[C@H](CO)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000294078504 386352669 /nfs/dbraw/zinc/35/26/69/386352669.db2.gz LHYMOLJTGUALEM-LLVKDONJSA-N 1 0 238.287 1.798 20 5 BDBDRO O=[N+]([O-])c1cccc(CN[C@H]2CC[NH2+]C2)c1 ZINC000086729807 386492713 /nfs/dbraw/zinc/49/27/13/386492713.db2.gz MRHTVLFNQBNWKW-JTQLQIEISA-N 1 0 221.260 1.046 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]2)cn1 ZINC000053255103 386556323 /nfs/dbraw/zinc/55/63/23/386556323.db2.gz KYTBEXWBJRQEAV-MRVPVSSYSA-N 1 0 222.248 1.154 20 5 BDBDRO O=[N+]([O-])c1cn(CCCn2ccnc2)cn1 ZINC000185512674 386568359 /nfs/dbraw/zinc/56/83/59/386568359.db2.gz SHGIONRCJFNXAY-UHFFFAOYSA-N 1 0 221.220 1.078 20 5 BDBDRO CC(C)[C@H]([NH3+])CNCc1csc([N+](=O)[O-])c1 ZINC000414804753 386609054 /nfs/dbraw/zinc/60/90/54/386609054.db2.gz XUFIZJYJDNBCRV-SECBINFHSA-N 1 0 243.332 1.729 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H](O)C2)cs1 ZINC000294934212 386688567 /nfs/dbraw/zinc/68/85/67/386688567.db2.gz UVADGTALRRXBIG-OCAPTIKFSA-N 1 0 228.273 1.269 20 5 BDBDRO C[C@H](CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000088195133 386891323 /nfs/dbraw/zinc/89/13/23/386891323.db2.gz AONVLPVFUXAFEW-VIFPVBQESA-N 1 0 224.260 1.313 20 5 BDBDRO C[NH2+][C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000053201364 387013639 /nfs/dbraw/zinc/01/36/39/387013639.db2.gz LOCIHDFBEUWOOP-LBPRGKRZSA-N 1 0 249.314 1.779 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN(C1CC1)C1COC1 ZINC000295307652 387078814 /nfs/dbraw/zinc/07/88/14/387078814.db2.gz FVRSMCLJLQRRSP-UHFFFAOYSA-N 1 0 248.282 1.958 20 5 BDBDRO CC[NH2+]CCNCc1ccc([N+](=O)[O-])cc1F ZINC000414828856 387266660 /nfs/dbraw/zinc/26/66/60/387266660.db2.gz LGMDPCKFLVQORT-UHFFFAOYSA-N 1 0 241.266 1.433 20 5 BDBDRO Cc1sc(C(=O)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000237696304 387372205 /nfs/dbraw/zinc/37/22/05/387372205.db2.gz QBWIZUSDSXRDOF-UHFFFAOYSA-N 1 0 243.288 1.043 20 5 BDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)O)cc1[N+](=O)[O-] ZINC000035601518 387373625 /nfs/dbraw/zinc/37/36/25/387373625.db2.gz MVGJGGWDRYAATG-UWVGGRQHSA-N 1 0 238.287 1.935 20 5 BDBDRO CN(CC[NH+](C)C)c1ncc([N+](=O)[O-])s1 ZINC000192474830 387377754 /nfs/dbraw/zinc/37/77/54/387377754.db2.gz DLTRIYCVULNUHU-UHFFFAOYSA-N 1 0 230.293 1.049 20 5 BDBDRO Cc1ccc(NC(=O)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000054337593 387473402 /nfs/dbraw/zinc/47/34/02/387473402.db2.gz RXAFSRSXANEBMG-QMMMGPOBSA-N 1 0 237.259 1.437 20 5 BDBDRO [NH3+][C@@H](CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414902511 387600753 /nfs/dbraw/zinc/60/07/53/387600753.db2.gz YMJIZZQFRFQJLN-LBPRGKRZSA-N 1 0 235.287 1.422 20 5 BDBDRO Cc1ccc(CN[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414867993 387569359 /nfs/dbraw/zinc/56/93/59/387569359.db2.gz PKNOQEQYHAQRKZ-LBPRGKRZSA-N 1 0 249.314 1.745 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@H](C)[NH3+] ZINC000415013154 387664238 /nfs/dbraw/zinc/66/42/38/387664238.db2.gz KJQTYLOROBKQAR-VHSXEESVSA-N 1 0 237.303 1.729 20 5 BDBDRO C[C@H](C[NH3+])N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347034788 387842520 /nfs/dbraw/zinc/84/25/20/387842520.db2.gz CNJUVXJHYRTKJN-JPVGGKMYSA-N 1 0 249.314 1.887 20 5 BDBDRO C[N@H+](CCCO)Cc1ccccc1[N+](=O)[O-] ZINC000045915229 388003653 /nfs/dbraw/zinc/00/36/53/388003653.db2.gz WUJASGSLACIAAD-UHFFFAOYSA-N 1 0 224.260 1.409 20 5 BDBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000228067773 388377873 /nfs/dbraw/zinc/37/78/73/388377873.db2.gz JKGOCBMPQIOHMM-ZJUUUORDSA-N 1 0 238.287 1.844 20 5 BDBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000077422253 388674904 /nfs/dbraw/zinc/67/49/04/388674904.db2.gz NYNGESMSLLGVFA-ZJUUUORDSA-N 1 0 238.287 1.701 20 5 BDBDRO C[C@@H](O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000078780462 388685240 /nfs/dbraw/zinc/68/52/40/388685240.db2.gz HXXRBWBOPGADOL-SECBINFHSA-N 1 0 224.260 1.455 20 5 BDBDRO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423182265 388687725 /nfs/dbraw/zinc/68/77/25/388687725.db2.gz GPOHWSUXLYWEDT-JQWIXIFHSA-N 1 0 249.314 1.997 20 5 BDBDRO C[NH2+]CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423191826 388688206 /nfs/dbraw/zinc/68/82/06/388688206.db2.gz UFEYFSOVTQOVBX-JTQLQIEISA-N 1 0 237.303 1.855 20 5 BDBDRO C[C@@H](NC[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423328053 388691752 /nfs/dbraw/zinc/69/17/52/388691752.db2.gz RWVMGNPONQGFQO-RNCFNFMXSA-N 1 0 249.314 1.983 20 5 BDBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424202622 388695129 /nfs/dbraw/zinc/69/51/29/388695129.db2.gz QGXQUKDOXGFADO-ZYHUDNBSSA-N 1 0 236.271 1.516 20 5 BDBDRO C[C@H]([NH3+])CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000070314884 388730353 /nfs/dbraw/zinc/73/03/53/388730353.db2.gz CDCXUJHIQWCKAP-QMMMGPOBSA-N 1 0 237.259 1.661 20 5 BDBDRO CC[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000446719773 388733749 /nfs/dbraw/zinc/73/37/49/388733749.db2.gz QOUNSQSCXVERMN-VIFPVBQESA-N 1 0 238.291 1.560 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH2+][C@@H](C)C1 ZINC000052812141 132229382 /nfs/dbraw/zinc/22/93/82/132229382.db2.gz UGLZZTYOKPHCPH-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000034871772 132268646 /nfs/dbraw/zinc/26/86/46/132268646.db2.gz IBYRCGPBLYCJMO-BDAKNGLRSA-N 1 0 236.275 1.176 20 5 BDBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251912478 133647678 /nfs/dbraw/zinc/64/76/78/133647678.db2.gz XHLAXJSZCAAUAN-ZWNOBZJWSA-N 1 0 249.314 1.764 20 5 BDBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000352186188 134099880 /nfs/dbraw/zinc/09/98/80/134099880.db2.gz JSPDMANRXCKFKQ-JTQLQIEISA-N 1 0 238.287 1.798 20 5 BDBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CC[NH2+]C2)c1 ZINC000155920756 134703458 /nfs/dbraw/zinc/70/34/58/134703458.db2.gz CUSPYULLACIXMB-MRVPVSSYSA-N 1 0 237.259 1.377 20 5 BDBDRO Cc1nc(N2CC[C@H]([NH3+])[C@H]2C)ccc1[N+](=O)[O-] ZINC000261549569 135188197 /nfs/dbraw/zinc/18/81/97/135188197.db2.gz KQLXRZCOCDIJOS-BDAKNGLRSA-N 1 0 236.275 1.224 20 5 BDBDRO C[C@@]1(C[NH3+])CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000261552512 135191503 /nfs/dbraw/zinc/19/15/03/135191503.db2.gz MYJKZCSFNWZLLH-LBPRGKRZSA-N 1 0 235.287 1.770 20 5 BDBDRO C[C@H]1C[NH2+]CC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000261573769 135216180 /nfs/dbraw/zinc/21/61/80/135216180.db2.gz MLFOJOPIGKKYRF-GWCFXTLKSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@@H]([NH3+])[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000261578901 135219667 /nfs/dbraw/zinc/21/96/67/135219667.db2.gz LZOIZHQTPIZHAU-BDAKNGLRSA-N 1 0 223.276 1.420 20 5 BDBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000164604054 135427074 /nfs/dbraw/zinc/42/70/74/135427074.db2.gz YBJJJBUQSIQQGF-JGVFFNPUSA-N 1 0 244.316 1.905 20 5 BDBDRO C[C@@H](C1CC1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000558713817 397925983 /nfs/dbraw/zinc/92/59/83/397925983.db2.gz OZESCTGHBHQDCQ-QMMMGPOBSA-N 1 0 238.291 1.559 20 5 BDBDRO C[C@H](C[NH3+])NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414939392 398117166 /nfs/dbraw/zinc/11/71/66/398117166.db2.gz YJZZMOODQJXGPF-AYYIZTPMSA-N 1 0 235.287 1.545 20 5 BDBDRO CC(C)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539727 167382551 /nfs/dbraw/zinc/38/25/51/167382551.db2.gz WHEQKFUYSRSESJ-SECBINFHSA-N 1 0 226.280 1.425 20 5 BDBDRO CC1=CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330463760 168115201 /nfs/dbraw/zinc/11/52/01/168115201.db2.gz NYQIMCIUEXHEOI-UHFFFAOYSA-N 1 0 236.275 1.443 20 5 BDBDRO CCC(C)(C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000331001299 168286967 /nfs/dbraw/zinc/28/69/67/168286967.db2.gz QLHMBJRINGWILM-UHFFFAOYSA-N 1 0 240.307 1.912 20 5 BDBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000086466937 411405804 /nfs/dbraw/zinc/40/58/04/411405804.db2.gz DYASVIOJJHHVHT-QWRGUYRKSA-N 1 0 249.314 1.777 20 5 BDBDRO CC[C@H](C)[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000183027734 171364816 /nfs/dbraw/zinc/36/48/16/171364816.db2.gz OWFCWSOENKIRDD-VHSXEESVSA-N 1 0 240.307 1.816 20 5 BDBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330802739 171365349 /nfs/dbraw/zinc/36/53/49/171365349.db2.gz BADYGGMKWRONSH-DTWKUNHWSA-N 1 0 240.307 1.853 20 5 BDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[NH3+] ZINC000310079855 172137550 /nfs/dbraw/zinc/13/75/50/172137550.db2.gz CHQIIPZAJXHGSQ-UHFFFAOYSA-N 1 0 241.295 1.270 20 5 BDBDRO CN(CCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000302027891 172431255 /nfs/dbraw/zinc/43/12/55/172431255.db2.gz QXDPZIWUUTUPNS-UHFFFAOYSA-N 1 0 237.303 1.983 20 5 BDBDRO CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000110443404 172865417 /nfs/dbraw/zinc/86/54/17/172865417.db2.gz HUHRWWSQDWZHIN-LBPRGKRZSA-N 1 0 235.287 1.389 20 5 BDBDRO C[N@@H+]1CCCC[C@H]1CCn1cnc([N+](=O)[O-])c1 ZINC000283793063 173007457 /nfs/dbraw/zinc/00/74/57/173007457.db2.gz GAGXRUKYXVFLFN-JTQLQIEISA-N 1 0 238.291 1.666 20 5 BDBDRO CN1CCC[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000227440448 173055708 /nfs/dbraw/zinc/05/57/08/173055708.db2.gz BDSQFZCIEGXIGX-LBPRGKRZSA-N 1 0 249.314 1.779 20 5 BDBDRO C[NH2+]CCN(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000234374764 173354802 /nfs/dbraw/zinc/35/48/02/173354802.db2.gz VGDPIRLQZOJOPA-UHFFFAOYSA-N 1 0 244.682 1.299 20 5 BDBDRO C[NH2+]CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054244762 173356899 /nfs/dbraw/zinc/35/68/99/173356899.db2.gz UDLZQDIDXVSUEE-UHFFFAOYSA-N 1 0 229.667 1.880 20 5 BDBDRO C[NH2+]C[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000092132692 173363552 /nfs/dbraw/zinc/36/35/52/173363552.db2.gz NTBUFNAKIMMNGD-MRVPVSSYSA-N 1 0 237.259 1.389 20 5 BDBDRO C[NH2+]C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000071142012 173370823 /nfs/dbraw/zinc/37/08/23/173370823.db2.gz LGMFYZBZPXSFHL-LBPRGKRZSA-N 1 0 249.314 1.636 20 5 BDBDRO COc1cc(NCC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227856384 175002363 /nfs/dbraw/zinc/00/23/63/175002363.db2.gz GHPMMOZCELBLBE-UHFFFAOYSA-N 1 0 229.211 1.113 20 5 BDBDRO C[C@@H](CC[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000309453249 175673684 /nfs/dbraw/zinc/67/36/84/175673684.db2.gz OYWCYEBOXKVOEO-LURJTMIESA-N 1 0 243.288 1.123 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCO ZINC000090740883 176026312 /nfs/dbraw/zinc/02/63/12/176026312.db2.gz OYUKJTXFUWAPBL-VIFPVBQESA-N 1 0 224.260 1.580 20 5 BDBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251671922 176307946 /nfs/dbraw/zinc/30/79/46/176307946.db2.gz HJVCSUCTHJQBFI-ZYHUDNBSSA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH3+])C1 ZINC000050245172 177037958 /nfs/dbraw/zinc/03/79/58/177037958.db2.gz MTOMEUNNFLBDBZ-GHMZBOCLSA-N 1 0 249.314 1.936 20 5 BDBDRO C[C@H]1CC[C@H](C)[NH+]1CCn1ccc([N+](=O)[O-])n1 ZINC000123193416 177199164 /nfs/dbraw/zinc/19/91/64/177199164.db2.gz OPORJVWOOICZDP-UWVGGRQHSA-N 1 0 238.291 1.664 20 5 BDBDRO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358014217 177238653 /nfs/dbraw/zinc/23/86/53/177238653.db2.gz KFIQJDUNZNBFRE-GXFFZTMASA-N 1 0 249.314 1.635 20 5 BDBDRO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000235649061 177253714 /nfs/dbraw/zinc/25/37/14/177253714.db2.gz KFJSAHYFFSZCSE-GWCFXTLKSA-N 1 0 249.314 1.416 20 5 BDBDRO C[C@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000400478539 226344305 /nfs/dbraw/zinc/34/43/05/226344305.db2.gz DYMYFMFANWPCEF-CMPLNLGQSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@H]1[NH2+]CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000396716825 262820733 /nfs/dbraw/zinc/82/07/33/262820733.db2.gz UFVWCYXORHFXOB-PWSUYJOCSA-N 1 0 249.314 1.825 20 5 BDBDRO Cc1cccc(N2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000235677514 487840310 /nfs/dbraw/zinc/84/03/10/487840310.db2.gz LBFUYPNEMXYITE-JTQLQIEISA-N 1 0 235.287 1.701 20 5 BDBDRO C[NH2+]CCCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000563082311 323088862 /nfs/dbraw/zinc/08/88/62/323088862.db2.gz XDKNBPRAKKTYHH-UHFFFAOYSA-N 1 0 245.666 1.632 20 5 BDBDRO C[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000111303127 323158622 /nfs/dbraw/zinc/15/86/22/323158622.db2.gz NWNBBIHMIHVVKD-ZETCQYMHSA-N 1 0 238.247 1.064 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCCO)C2 ZINC000305433590 323170110 /nfs/dbraw/zinc/17/01/10/323170110.db2.gz GNHRLUSLVAYMGP-UHFFFAOYSA-N 1 0 236.271 1.335 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)O ZINC000131172984 325123033 /nfs/dbraw/zinc/12/30/33/325123033.db2.gz DMXKFJXSNALMOW-NXEZZACHSA-N 1 0 238.287 1.935 20 5 BDBDRO C[NH2+][C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000565844222 325965017 /nfs/dbraw/zinc/96/50/17/325965017.db2.gz UQELTFAIGZCOTL-QMMMGPOBSA-N 1 0 249.270 1.092 20 5 BDBDRO Cc1ccc(CN(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000566226070 326018422 /nfs/dbraw/zinc/01/84/22/326018422.db2.gz VHPJJLTWSUINIO-UHFFFAOYSA-N 1 0 237.303 1.684 20 5 BDBDRO CC1(C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174845091 528944240 /nfs/dbraw/zinc/94/42/40/528944240.db2.gz OMYVDDIPIOFMEG-UHFFFAOYSA-N 1 0 238.291 1.666 20 5 BDBDRO C[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000261531918 536404500 /nfs/dbraw/zinc/40/45/00/536404500.db2.gz IJYBHIPWTDVNFF-SSDOTTSWSA-N 1 0 210.237 1.010 20 5 BDBDRO Cc1c(CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000076409653 566281881 /nfs/dbraw/zinc/28/18/81/566281881.db2.gz PMTACOKZNIJKSZ-UHFFFAOYSA-N 1 0 249.314 1.651 20 5 BDBDRO CC(C)Oc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899866713 584243855 /nfs/dbraw/zinc/24/38/55/584243855.db2.gz RKFBTTDOANBIPB-UHFFFAOYSA-N 1 0 238.287 1.840 20 5 BDBDRO Cc1ccc(C[NH2+]CC[N+](=O)[O-])s1 ZINC000899870925 584244814 /nfs/dbraw/zinc/24/48/14/584244814.db2.gz LPUAKSZATINSQR-UHFFFAOYSA-N 1 0 200.263 1.423 20 5 BDBDRO COc1cccc([N+](=O)[O-])c1SCC[NH3+] ZINC000900023397 584267814 /nfs/dbraw/zinc/26/78/14/584267814.db2.gz XQWIABXLGJTWPF-UHFFFAOYSA-N 1 0 228.273 1.654 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000903960311 584828558 /nfs/dbraw/zinc/82/85/58/584828558.db2.gz DKYGLMDTMAMUMN-BXKDBHETSA-N 1 0 235.287 1.292 20 5 BDBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782611387 585822121 /nfs/dbraw/zinc/82/21/21/585822121.db2.gz CQZFOEHMONUFMK-WCQYABFASA-N 1 0 248.282 1.409 20 5 BDBDRO CCN(CC[N+](=O)[O-])Cc1cccs1 ZINC000791052702 585972664 /nfs/dbraw/zinc/97/26/64/585972664.db2.gz AQDGQNDQTOSEJP-UHFFFAOYSA-N 1 0 214.290 1.847 20 5 BDBDRO C[C@H]1CC[N@H+](CC[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000791055812 585973643 /nfs/dbraw/zinc/97/36/43/585973643.db2.gz YVDPIBJRKVYIKB-QWRGUYRKSA-N 1 0 238.291 1.043 20 5 BDBDRO [NH3+][C@@H]1C[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000818378672 586889687 /nfs/dbraw/zinc/88/96/87/586889687.db2.gz VELISJSQJULVHX-DTWKUNHWSA-N 1 0 246.226 1.459 20 5 BDBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CC[NH2+]C2)cn1 ZINC000110797971 588696236 /nfs/dbraw/zinc/69/62/36/588696236.db2.gz FFISXRHGMCBMDD-SECBINFHSA-N 1 0 236.275 1.401 20 5 BDBDRO C[C@@H]([NH3+])CN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000863569178 589300260 /nfs/dbraw/zinc/30/02/60/589300260.db2.gz QWJXOEOXDLXXDF-MRVPVSSYSA-N 1 0 241.266 1.513 20 5 BDBDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC000864454020 589366160 /nfs/dbraw/zinc/36/61/60/589366160.db2.gz RQNBZEIKTTUHCW-PSASIEDQSA-N 1 0 248.286 1.617 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC([NH+]3CCCC3)C2)cc1 ZINC000865937240 589469387 /nfs/dbraw/zinc/46/93/87/589469387.db2.gz MZVSFPTXTVGEFP-UHFFFAOYSA-N 1 0 247.298 1.879 20 5 BDBDRO COCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873006945 589979304 /nfs/dbraw/zinc/97/93/04/589979304.db2.gz DBBIZXOYCREGCY-UHFFFAOYSA-N 1 0 238.287 1.948 20 5 BDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(F)CC2)n1 ZINC000880241684 590975248 /nfs/dbraw/zinc/97/52/48/590975248.db2.gz GTBYNKNULZGNAT-UHFFFAOYSA-N 1 0 242.254 1.225 20 5 BDBDRO Cc1cnc(NC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000129302940 591276214 /nfs/dbraw/zinc/27/62/14/591276214.db2.gz TWCQNBSYWRMGRJ-VIFPVBQESA-N 1 0 236.275 1.447 20 5 BDBDRO C[C@@H](C[NH+](C)C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882367507 591339106 /nfs/dbraw/zinc/33/91/06/591339106.db2.gz OKYIIYVHTTYKRW-ZETCQYMHSA-N 1 0 242.254 1.491 20 5 BDBDRO C[C@@H](CCO)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000133080616 591762213 /nfs/dbraw/zinc/76/22/13/591762213.db2.gz JWIQGYBBOFZGIR-JTQLQIEISA-N 1 0 238.287 1.498 20 5 BDBDRO C[C@H]([NH3+])CN(C)Cc1csc([N+](=O)[O-])c1 ZINC000309034504 631808239 /nfs/dbraw/zinc/80/82/39/631808239.db2.gz FBRSOKONCRMJIA-ZETCQYMHSA-N 1 0 229.305 1.435 20 5 BDBDRO CC1(C)C[C@@H]([NH2+]CC[N+](=O)[O-])C(C)(C)O1 ZINC000309118786 631890937 /nfs/dbraw/zinc/89/09/37/631890937.db2.gz MRTYWSDYAHZPPT-MRVPVSSYSA-N 1 0 216.281 1.199 20 5 BDBDRO C[C@@H](O)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000094653940 635382646 /nfs/dbraw/zinc/38/26/46/635382646.db2.gz LAWAOMKQWPKSBE-NXEZZACHSA-N 1 0 238.287 1.496 20 5 BDBDRO CC(C)[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@@H]1C(C)C ZINC000899886999 637148285 /nfs/dbraw/zinc/14/82/85/637148285.db2.gz MPLHWEZBFRMOMK-WDEREUQCSA-N 1 0 214.309 1.876 20 5 BDBDRO CC(C)[C@H]1C[N@H+](CC[N+](=O)[O-])[C@H]1C(C)C ZINC000899886997 637148706 /nfs/dbraw/zinc/14/87/06/637148706.db2.gz MPLHWEZBFRMOMK-MNOVXSKESA-N 1 0 214.309 1.876 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1Cc2ccccc21 ZINC000905053175 637569805 /nfs/dbraw/zinc/56/98/05/637569805.db2.gz YVNLBBJTMTWHHC-JTQLQIEISA-N 1 0 206.245 1.193 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccccc2)CCC1 ZINC000905031830 637576051 /nfs/dbraw/zinc/57/60/51/637576051.db2.gz XNZUEQUHCRVJLH-UHFFFAOYSA-N 1 0 234.299 1.975 20 5 BDBDRO CC(C)(C)[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000905055803 637589390 /nfs/dbraw/zinc/58/93/90/637589390.db2.gz SNWBXICUEUKOSR-UHFFFAOYSA-N 1 0 229.324 1.116 20 5 BDBDRO CC[C@H]1CCCC[N@@H+]1CCNCC[N+](=O)[O-] ZINC000905114595 637619639 /nfs/dbraw/zinc/61/96/39/637619639.db2.gz OQNMNMQXONDPQG-NSHDSACASA-N 1 0 229.324 1.117 20 5 BDBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905152370 637637448 /nfs/dbraw/zinc/63/74/48/637637448.db2.gz BWJOFKKLQHVVSN-MNOVXSKESA-N 1 0 230.308 1.304 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000905134754 637643341 /nfs/dbraw/zinc/64/33/41/637643341.db2.gz OLDDTNIRHGLWAR-UHFFFAOYSA-N 1 0 238.262 1.724 20 5 BDBDRO Cc1cccc([C@@H](C)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905133718 637643513 /nfs/dbraw/zinc/64/35/13/637643513.db2.gz RQIKOSNZXYDJRG-NSHDSACASA-N 1 0 222.288 1.965 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCc1cccs1 ZINC000905193959 637671411 /nfs/dbraw/zinc/67/14/11/637671411.db2.gz HPGUWEZOQFZPJL-UHFFFAOYSA-N 1 0 214.290 1.547 20 5 BDBDRO C[C@@H]1CC[C@@H]([NH2+]CC[N+](=O)[O-])C[C@@H]1C ZINC000905211156 637698092 /nfs/dbraw/zinc/69/80/92/637698092.db2.gz YKPUDUIEEQNANH-KXUCPTDWSA-N 1 0 200.282 1.677 20 5 BDBDRO CC(C)[C@H](C[NH2+]CC[N+](=O)[O-])c1ccnn1C ZINC000905231984 637692654 /nfs/dbraw/zinc/69/26/54/637692654.db2.gz VLHZLOABOYCYPA-JTQLQIEISA-N 1 0 240.307 1.026 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCc2sccc21 ZINC000905214836 637699580 /nfs/dbraw/zinc/69/95/80/637699580.db2.gz JJTSJYGHSSCIAT-VIFPVBQESA-N 1 0 226.301 1.992 20 5 BDBDRO COC1(C[NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000905219175 637701655 /nfs/dbraw/zinc/70/16/55/637701655.db2.gz KBNXPROGLFKNER-UHFFFAOYSA-N 1 0 216.281 1.202 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1CCC(F)(F)CC1 ZINC000905245371 637705027 /nfs/dbraw/zinc/70/50/27/637705027.db2.gz CKJDBTXXZXTPCA-UHFFFAOYSA-N 1 0 222.235 1.678 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])CC(F)(F)F ZINC000905384943 637785021 /nfs/dbraw/zinc/78/50/21/637785021.db2.gz IIFXSHALPUWHQL-UHFFFAOYSA-N 1 0 228.214 1.831 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000905404892 637796482 /nfs/dbraw/zinc/79/64/82/637796482.db2.gz PJFXRBCPWNCZFX-NSHDSACASA-N 1 0 242.319 1.592 20 5 BDBDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905394723 637806842 /nfs/dbraw/zinc/80/68/42/637806842.db2.gz IORRFJJARZYRDG-NWDGAFQWSA-N 1 0 220.272 1.717 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000905623056 637860128 /nfs/dbraw/zinc/86/01/28/637860128.db2.gz HHRQTMYNKVGPJM-SNVBAGLBSA-N 1 0 228.292 1.345 20 5 BDBDRO CC1(C)C[C@H](C[NH2+]CC[N+](=O)[O-])C(C)(C)O1 ZINC000905621101 637860858 /nfs/dbraw/zinc/86/08/58/637860858.db2.gz ZQCYQYUOJXONLJ-SECBINFHSA-N 1 0 230.308 1.446 20 5 BDBDRO CC1(C)C[C@H]([NH2+]CC[N+](=O)[O-])CCS1 ZINC000905662422 637874145 /nfs/dbraw/zinc/87/41/45/637874145.db2.gz JCCQKZCNMRJQLS-MRVPVSSYSA-N 1 0 218.322 1.527 20 5 BDBDRO C[C@@H]1CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905975249 637991420 /nfs/dbraw/zinc/99/14/20/637991420.db2.gz PYNMUXPDVVKSHW-SKDRFNHKSA-N 1 0 236.271 1.722 20 5 BDBDRO [NH3+][C@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000906507542 638178467 /nfs/dbraw/zinc/17/84/67/638178467.db2.gz AEPIJQJVUFQFEF-MGCOHNPYSA-N 1 0 221.260 1.174 20 5 BDBDRO CCO[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C12CCCC2 ZINC000930435308 639751733 /nfs/dbraw/zinc/75/17/33/639751733.db2.gz LDKDWJVOEQNNNU-GHMZBOCLSA-N 1 0 242.319 1.591 20 5 BDBDRO CC[N@H+](CC[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000930511452 639790298 /nfs/dbraw/zinc/79/02/98/639790298.db2.gz DGMYNDCJJJCHDP-SNVBAGLBSA-N 1 0 230.308 1.543 20 5 BDBDRO CC[N@H+](CC[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000930511451 639791220 /nfs/dbraw/zinc/79/12/20/639791220.db2.gz DGMYNDCJJJCHDP-JTQLQIEISA-N 1 0 230.308 1.543 20 5 BDBDRO C[C@@H]1CN(CC[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000930561355 639811648 /nfs/dbraw/zinc/81/16/48/639811648.db2.gz XAGOZBLGVLPSAR-LLVKDONJSA-N 1 0 241.335 1.069 20 5 BDBDRO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000930612484 639820485 /nfs/dbraw/zinc/82/04/85/639820485.db2.gz QTYISKCVHWQHKZ-TUAOUCFPSA-N 1 0 242.319 1.279 20 5 BDBDRO CO[C@](C)([C@@H](C)[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000930719217 639870728 /nfs/dbraw/zinc/87/07/28/639870728.db2.gz WJQSFGHWKCRBSH-PSASIEDQSA-N 1 0 216.281 1.056 20 5 BDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])C1CCC(F)CC1 ZINC000931057485 640045519 /nfs/dbraw/zinc/04/55/19/640045519.db2.gz OLYLXTVPCIJIAE-IDKOKCKLSA-N 1 0 218.272 1.770 20 5 BDBDRO C/C=C\C[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931339156 640164970 /nfs/dbraw/zinc/16/49/70/640164970.db2.gz VXLGDTCQLAPIHV-QUCGXOGASA-N 1 0 212.293 1.941 20 5 BDBDRO CCC1([NH+]2CCC2)CCN(CC[N+](=O)[O-])CC1 ZINC000931751919 640349663 /nfs/dbraw/zinc/34/96/63/640349663.db2.gz FCYHYMQEXVJIDT-UHFFFAOYSA-N 1 0 241.335 1.213 20 5 BDBDRO C[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443411 641147772 /nfs/dbraw/zinc/14/77/72/641147772.db2.gz MGXXWMOZBOGLRV-SSDOTTSWSA-N 1 0 244.678 1.719 20 5 BDBDRO O=[N+]([O-])CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929717925 641418884 /nfs/dbraw/zinc/41/88/84/641418884.db2.gz ATQATACHLWLYCU-GFCCVEGCSA-N 1 0 241.335 1.071 20 5 BDBDRO Cc1ccnc(NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000096609700 642335925 /nfs/dbraw/zinc/33/59/25/642335925.db2.gz RLMODIHKHUHPNP-UHFFFAOYSA-N 1 0 224.264 1.447 20 5 BDBDRO CN(CCc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000090290296 643143861 /nfs/dbraw/zinc/14/38/61/643143861.db2.gz BCBUYUZFVXUVQK-UHFFFAOYSA-N 1 0 235.287 1.041 20 5 BDBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000090290284 643145551 /nfs/dbraw/zinc/14/55/51/643145551.db2.gz XKCQUKYFHHDAKJ-UHFFFAOYSA-N 1 0 239.250 1.138 20 5 BDBDRO O=[N+]([O-])c1ccc(OCC2C[NH2+]C2)cc1F ZINC000304547691 644914902 /nfs/dbraw/zinc/91/49/02/644914902.db2.gz WYMYWOIZLGLXPC-UHFFFAOYSA-N 1 0 226.207 1.332 20 5 BDBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929522776 646171474 /nfs/dbraw/zinc/17/14/74/646171474.db2.gz ASPOIDKKZSROEL-SECBINFHSA-N 1 0 200.282 1.774 20 5 BDBDRO C[C@@](CO)([NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000929697461 646252043 /nfs/dbraw/zinc/25/20/43/646252043.db2.gz XMDSNZUUCNMEMZ-NSHDSACASA-N 1 0 230.308 1.184 20 5 BDBDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CC[N+](=O)[O-] ZINC000930034429 646403944 /nfs/dbraw/zinc/40/39/44/646403944.db2.gz AUCUKZRPLYNXDA-GHMZBOCLSA-N 1 0 244.335 1.789 20 5 BDBDRO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])CC12CCC2 ZINC000930170966 646472519 /nfs/dbraw/zinc/47/25/19/646472519.db2.gz KFFRRYMMWHBBGM-SNVBAGLBSA-N 1 0 212.293 1.775 20 5 BDBDRO COc1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930190564 646484366 /nfs/dbraw/zinc/48/43/66/646484366.db2.gz PBZZCSXBFATUTG-VIFPVBQESA-N 1 0 224.260 1.623 20 5 BDBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000930193650 646486385 /nfs/dbraw/zinc/48/63/85/646486385.db2.gz SJQMDZOBWZJMPN-MYJAWHEDSA-N 1 0 200.282 1.677 20 5 BDBDRO CN1CC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000712581396 712433738 /nfs/dbraw/zinc/43/37/38/712433738.db2.gz ROUASYMCARQGAU-CYBMUJFWSA-N 1 0 249.314 1.431 20 5 BDBDRO CN1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000712614000 712438215 /nfs/dbraw/zinc/43/82/15/712438215.db2.gz JUYVSYMSRRWWSD-VIFPVBQESA-N 1 0 239.250 1.850 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720947886 712881416 /nfs/dbraw/zinc/88/14/16/712881416.db2.gz TZRKGZGHLVLXOO-HOMQSWHASA-N 1 0 236.271 1.455 20 5 BDBDRO CCOC(=O)[C@H]1CCC[C@H]1OCC[N+](C)(C)C ZINC001224771717 964934926 /nfs/dbraw/zinc/93/49/26/964934926.db2.gz RAQFLUZGKODUHO-NWDGAFQWSA-N 1 0 244.355 1.441 20 5 BDBDRO CCC[C@@H](CO)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976502 969295138 /nfs/dbraw/zinc/29/51/38/969295138.db2.gz DEJGCYDPCSGEKY-MXWKQRLJSA-N 1 0 230.308 1.182 20 5 BDBDRO CC1(C)C[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984891 969300990 /nfs/dbraw/zinc/30/09/90/969300990.db2.gz RCNOGUPBHNZGFD-GUBZILKMSA-N 1 0 212.293 1.820 20 5 BDBDRO CN1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168965868 969317783 /nfs/dbraw/zinc/31/77/83/969317783.db2.gz CSWUUJAXNSUGRU-WOPDTQHZSA-N 1 0 241.335 1.116 20 5 BDBDRO CN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967160 969320896 /nfs/dbraw/zinc/32/08/96/969320896.db2.gz NUGBVICSUYFHQT-IJLUTSLNSA-N 1 0 241.335 1.116 20 5 BDBDRO CC(C)(CCO)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975261 969323552 /nfs/dbraw/zinc/32/35/52/969323552.db2.gz VMWJCHBNBBETFQ-VHSXEESVSA-N 1 0 230.308 1.182 20 5 BDBDRO COC1CC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169004969 969328270 /nfs/dbraw/zinc/32/82/70/969328270.db2.gz SYMIMYKOGPTWPL-QTAHKJALSA-N 1 0 242.319 1.446 20 5 BDBDRO C[C@@H]1C[C@@H](F)C[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007090 969328655 /nfs/dbraw/zinc/32/86/55/969328655.db2.gz KVHUJMKCZUWWNC-GWOFURMSSA-N 1 0 230.283 1.864 20 5 BDBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCCO1 ZINC001169007310 969329320 /nfs/dbraw/zinc/32/93/20/969329320.db2.gz MMAZHALPSIWONB-QCNOEVLYSA-N 1 0 242.319 1.589 20 5 BDBDRO CC[N@H+](CCN(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007627 969334478 /nfs/dbraw/zinc/33/44/78/969334478.db2.gz OSWARUQSORGIEJ-NEPJUHHUSA-N 1 0 243.351 1.315 20 5 BDBDRO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)O1 ZINC001169009669 969334832 /nfs/dbraw/zinc/33/48/32/969334832.db2.gz XCIULFPSKWZYKC-KXNHARMFSA-N 1 0 242.319 1.541 20 5 BDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1O ZINC001169010656 969339744 /nfs/dbraw/zinc/33/97/44/969339744.db2.gz FHRLDSCGKXICSB-DDHJBXDOSA-N 1 0 242.319 1.135 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@H](O)C2)C1 ZINC001169010284 969337838 /nfs/dbraw/zinc/33/78/38/969337838.db2.gz CEGTXZBVNKVKDJ-UTUOFQBUSA-N 1 0 242.319 1.279 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC(C(F)F)C2)C1 ZINC001169053551 969372232 /nfs/dbraw/zinc/37/22/32/969372232.db2.gz ILKFFDHXSIYKIT-APPZFPTMSA-N 1 0 234.246 1.629 20 5 BDBDRO [NH2+]=CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580887 969742096 /nfs/dbraw/zinc/74/20/96/969742096.db2.gz GVWAGHDVEQUNSU-SECBINFHSA-N 1 0 205.217 1.259 20 5 BDBDRO C[C@H]1C[C@H](OCCC[N+](C)(C)C)CCO1 ZINC001224621524 973802462 /nfs/dbraw/zinc/80/24/62/973802462.db2.gz WUKGVBJZARWICL-NWDGAFQWSA-N 1 0 216.345 1.667 20 5 BDBDRO C[N+](C)(C)CCCO[C@H](C[N+](=O)[O-])C1CC1 ZINC001224624006 973807600 /nfs/dbraw/zinc/80/76/00/973807600.db2.gz SOLKDKIDKKHUIW-LLVKDONJSA-N 1 0 231.316 1.155 20 5 BDBDRO Cc1c([C@H](C)OCC[N+](C)(C)C)cnn1C ZINC001224772257 973938882 /nfs/dbraw/zinc/93/88/82/973938882.db2.gz XXFJIEOZBODQFO-NSHDSACASA-N 1 0 226.344 1.512 20 5 BDBDRO O=[N+]([O-])C[C@H](OC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001217879014 971476636 /nfs/dbraw/zinc/47/66/36/971476636.db2.gz LYMRMENABMOXBI-KOLCDFICSA-N 1 0 228.292 1.058 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001217966597 971550023 /nfs/dbraw/zinc/55/00/23/971550023.db2.gz AQPQJLHXQDLIAQ-HQJQHLMTSA-N 1 0 237.259 1.164 20 5 BDBDRO Cc1ccnc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225351410 974432284 /nfs/dbraw/zinc/43/22/84/974432284.db2.gz FSRQMHKQKDKVEO-NSHDSACASA-N 1 0 209.313 1.864 20 5 BDBDRO Cc1c(F)cnc(NCC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC001170889890 972040265 /nfs/dbraw/zinc/04/02/65/972040265.db2.gz XMUOXPACWMFEDP-ZCFIWIBFSA-N 1 0 242.254 1.587 20 5 BDBDRO COc1cnc(NCC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC001160024849 972206360 /nfs/dbraw/zinc/20/63/60/972206360.db2.gz CBSKCTSGQXJFNL-UHFFFAOYSA-N 1 0 240.263 1.148 20 5 BDBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C2)ccn1 ZINC001218287283 959953359 /nfs/dbraw/zinc/95/33/59/959953359.db2.gz XWWIKZZNIZDCQW-VIFPVBQESA-N 1 0 223.232 1.121 20 5 BDBDRO C[NH2+]CCNc1ncc(F)c(C)c1[N+](=O)[O-] ZINC001167721648 960205437 /nfs/dbraw/zinc/20/54/37/960205437.db2.gz LBWHJCCCGAJJJO-UHFFFAOYSA-N 1 0 228.227 1.069 20 5 BDBDRO CCOc1cnc(NCC[NH2+]C)c([N+](=O)[O-])c1 ZINC001167721886 960205877 /nfs/dbraw/zinc/20/58/77/960205877.db2.gz SIJUNGHWIAOJCF-UHFFFAOYSA-N 1 0 240.263 1.020 20 5 BDBDRO [NH2+]=CNc1cccc2ncc([N+](=O)[O-])n21 ZINC001167871897 961384507 /nfs/dbraw/zinc/38/45/07/961384507.db2.gz YCSQIFJLDITJAZ-UHFFFAOYSA-N 1 0 205.177 1.261 20 5 BDBDRO C[N@@H+]1CC[C@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225905655 962899890 /nfs/dbraw/zinc/89/98/90/962899890.db2.gz XAEPRVBHKXESPD-VIFPVBQESA-N 1 0 240.234 1.817 20 5 BDBDRO C[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226709232 963310831 /nfs/dbraw/zinc/31/08/31/963310831.db2.gz GOSGQUHOBRUBRR-VIFPVBQESA-N 1 0 223.232 1.073 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N(C)C(C)(C)C[NH3+])n1 ZINC000714242707 963635881 /nfs/dbraw/zinc/63/58/81/963635881.db2.gz FPXYEJXYDRAVJD-UHFFFAOYSA-N 1 0 238.291 1.472 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001158345418 963850343 /nfs/dbraw/zinc/85/03/43/963850343.db2.gz MPQZISJHAQOWPR-MRVPVSSYSA-N 1 0 247.258 1.504 20 5 BDBDRO [NH3+]Cc1ccn(-c2ncc([N+](=O)[O-])cc2F)c1 ZINC001158765049 963919862 /nfs/dbraw/zinc/91/98/62/963919862.db2.gz 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GXCJLZNMBKGIHN-UHFFFAOYSA-N 1 0 248.242 1.248 20 5 BDBDRO C[N@@H+]1CC[C@H](OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222789453 972696861 /nfs/dbraw/zinc/69/68/61/972696861.db2.gz MVWOFAYHRWNIKU-LBPRGKRZSA-N 1 0 236.271 1.816 20 5 BDBDRO Cc1cnc(CO[C@@H](C)C[N+](C)(C)C)cn1 ZINC001223361562 973025286 /nfs/dbraw/zinc/02/52/86/973025286.db2.gz SSSFDUIPZOJLTB-NSHDSACASA-N 1 0 224.328 1.396 20 5 BDBDRO CC[C@@H](COC)OCCC[N+](C)(C)C ZINC001224621982 973791814 /nfs/dbraw/zinc/79/18/14/973791814.db2.gz DYLYLLRKVNCWPX-NSHDSACASA-N 1 0 204.334 1.524 20 5 BDBDRO COC[C@H](C)OC[C@@H](C)OCC[N+](C)(C)C ZINC001224776106 973942781 /nfs/dbraw/zinc/94/27/81/973942781.db2.gz SDYCKYZVMCJYIS-NWDGAFQWSA-N 1 0 234.360 1.149 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc(Cl)nc1 ZINC001225376634 974454995 /nfs/dbraw/zinc/45/49/95/974454995.db2.gz CIZNNZDXSAOGRS-QMMMGPOBSA-N 1 0 230.719 1.604 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2[nH]ccc21 ZINC001226047032 974769099 /nfs/dbraw/zinc/76/90/99/974769099.db2.gz AIWILSXNFWCFOW-SECBINFHSA-N 1 0 235.311 1.431 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccnc(F)c1 ZINC001226790463 975085903 /nfs/dbraw/zinc/08/59/03/975085903.db2.gz RTUXMGAPNUDGBS-SECBINFHSA-N 1 0 213.276 1.694 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OC(=O)c1ccccc1O ZINC001227485632 975471685 /nfs/dbraw/zinc/47/16/85/975471685.db2.gz TTWQOLIOOPJZRH-JTQLQIEISA-O 1 0 238.307 1.644 20 5 BDBDRO CC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)nc1 ZINC001227997218 975840362 /nfs/dbraw/zinc/84/03/62/975840362.db2.gz WZHVYBOBPJYUIX-SNVBAGLBSA-N 1 0 237.323 1.758 20 5 BDBDRO COc1ncc(O[C@@H](C)C[N+](C)(C)C)cc1C ZINC001228666216 976426112 /nfs/dbraw/zinc/42/61/12/976426112.db2.gz OXRXGNKZROSUFX-NSHDSACASA-N 1 0 239.339 1.872 20 5 BDBDRO C[N@@H+]1CC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228880046 976547837 /nfs/dbraw/zinc/54/78/37/976547837.db2.gz PTJBKLNUCDMTRV-MRVPVSSYSA-N 1 0 223.232 1.073 20 5 BDBDRO CCC1(CC)[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC001334885258 976763715 /nfs/dbraw/zinc/76/37/15/976763715.db2.gz ZCXPZTPLNBSEHW-GMTAPVOTSA-N 1 0 244.335 1.692 20 5 BDBDRO Cc1[nH+]cn(-c2ccc([N+](=O)[O-])cc2)c1N ZINC001174477624 976796883 /nfs/dbraw/zinc/79/68/83/976796883.db2.gz QYXAYVXTPJWFAS-UHFFFAOYSA-N 1 0 218.216 1.671 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c2c1CCC2 ZINC001229325516 976831823 /nfs/dbraw/zinc/83/18/23/976831823.db2.gz BUSVPHDTWIYLCB-SECBINFHSA-N 1 0 224.328 1.372 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC001335905475 977356031 /nfs/dbraw/zinc/35/60/31/977356031.db2.gz IUZFQXXWZIPYEX-NSHDSACASA-N 1 0 228.292 1.154 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)C(=O)NC2 ZINC001231104004 977478855 /nfs/dbraw/zinc/47/88/55/977478855.db2.gz VAKZTDMKIBVVGG-JTQLQIEISA-O 1 0 249.334 1.404 20 5 BDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2C=CCC2)c1 ZINC001336771330 977943814 /nfs/dbraw/zinc/94/38/14/977943814.db2.gz RANDUCRKWQIXMX-WCQYABFASA-N 1 0 248.282 1.936 20 5 BDBDRO C[C@](O)(C[NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC001338521473 978696268 /nfs/dbraw/zinc/69/62/68/978696268.db2.gz PBGCDPVSNACFKZ-NSHDSACASA-N 1 0 230.308 1.184 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC001338536080 978702383 /nfs/dbraw/zinc/70/23/83/978702383.db2.gz XLKKPOKMFPDOFY-QWRGUYRKSA-N 1 0 228.292 1.200 20 5 BDBDRO CCc1nccc(O[C@H](C)C[N+](C)(C)C)n1 ZINC001234702956 978902558 /nfs/dbraw/zinc/90/25/58/978902558.db2.gz QYBGMHWNKNQJRJ-SNVBAGLBSA-N 1 0 224.328 1.513 20 5 BDBDRO CC(C)([NH3+])CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345943656 980714884 /nfs/dbraw/zinc/71/48/84/980714884.db2.gz LAXJSDBWNRPNOO-UHFFFAOYSA-N 1 0 235.287 1.648 20 5 BDBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001515654802 989095793 /nfs/dbraw/zinc/09/57/93/989095793.db2.gz JKIMAIVZILXJOH-AOOOYVTPSA-N 1 0 249.270 1.123 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001119668819 989312830 /nfs/dbraw/zinc/31/28/30/989312830.db2.gz XHZZEDOUKSPVPS-WDEREUQCSA-N 1 0 212.293 1.775 20 5 BDBDRO Cc1cc(NC(=O)C2([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC001263329506 993233462 /nfs/dbraw/zinc/23/34/62/993233462.db2.gz HRHHVXDCUFYKOS-UHFFFAOYSA-N 1 0 235.243 1.333 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC001334203375 994577126 /nfs/dbraw/zinc/57/71/26/994577126.db2.gz XCUAXVYDRIZESX-AXFHLTTASA-N 1 0 240.303 1.200 20 5 BDBDRO C[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449177641 398192131 /nfs/dbraw/zinc/19/21/31/398192131.db2.gz WFXGTJOFGGDTAQ-UWVGGRQHSA-N 1 0 238.287 1.496 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[NH2+]C1 ZINC000133797196 178274607 /nfs/dbraw/zinc/27/46/07/178274607.db2.gz MWQMZZRJURRFHT-SECBINFHSA-N 1 0 236.275 1.320 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)CO ZINC000289562147 178271048 /nfs/dbraw/zinc/27/10/48/178271048.db2.gz YSOKSONKGSUJEP-SNVBAGLBSA-N 1 0 238.287 1.716 20 5 BDBDRO C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285054232 398242490 /nfs/dbraw/zinc/24/24/90/398242490.db2.gz IPKMLUAXCNABQG-YUMQZZPRSA-N 1 0 239.275 1.208 20 5 BDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000320729057 342736419 /nfs/dbraw/zinc/73/64/19/342736419.db2.gz SMEVFLZQGJVORF-RNFRBKRXSA-N 1 0 241.247 1.043 20 5 BDBDRO CC[C@@H]([NH3+])c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000229926578 342855651 /nfs/dbraw/zinc/85/56/51/342855651.db2.gz FLLLOSOMGXDDFU-SNVBAGLBSA-N 1 0 247.258 1.585 20 5 BDBDRO [NH3+]C[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000123431703 398312335 /nfs/dbraw/zinc/31/23/35/398312335.db2.gz SCKHLUDTPQEOJJ-LLVKDONJSA-N 1 0 235.287 1.518 20 5 BDBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602760758 349733583 /nfs/dbraw/zinc/73/35/83/349733583.db2.gz BDVFPYHHOWGPNN-UHFFFAOYSA-N 1 0 238.291 1.584 20 5 BDBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000168337011 136267688 /nfs/dbraw/zinc/26/76/88/136267688.db2.gz YJPVZUODPYZAFG-QMMMGPOBSA-N 1 0 224.264 1.257 20 5 BDBDRO O=[N+]([O-])c1cn(CCC[NH+]2CCCC2)cn1 ZINC000194996526 136276086 /nfs/dbraw/zinc/27/60/86/136276086.db2.gz SECJAGRTGVMOEJ-UHFFFAOYSA-N 1 0 224.264 1.277 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[NH2+]C2)cc1 ZINC000087655224 136282135 /nfs/dbraw/zinc/28/21/35/136282135.db2.gz MITHOBSEROKDKU-VIFPVBQESA-N 1 0 221.260 1.616 20 5 BDBDRO C[C@@H](CC[NH+](C)C)Nc1ncccc1[N+](=O)[O-] ZINC000049558633 343602419 /nfs/dbraw/zinc/60/24/19/343602419.db2.gz NKSUOUDPCVTZTL-VIFPVBQESA-N 1 0 238.291 1.742 20 5 BDBDRO C[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000096811431 343903911 /nfs/dbraw/zinc/90/39/11/343903911.db2.gz YSAAKFAWSIHZRR-SECBINFHSA-N 1 0 224.260 1.455 20 5 BDBDRO Cc1c(CN2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000050243864 187357193 /nfs/dbraw/zinc/35/71/93/187357193.db2.gz CGXSYPLMOUIKDM-NSHDSACASA-N 1 0 235.287 1.436 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3CCC[C@@H]32)c1 ZINC000610762459 344151289 /nfs/dbraw/zinc/15/12/89/344151289.db2.gz GLKRWAYKZXWIPK-KOLCDFICSA-N 1 0 236.275 1.276 20 5 BDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000381410596 344503139 /nfs/dbraw/zinc/50/31/39/344503139.db2.gz XRGDFDULRBPCNU-HTQZYQBOSA-N 1 0 237.259 1.060 20 5 BDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000381388629 344500484 /nfs/dbraw/zinc/50/04/84/344500484.db2.gz RIDWOUGMWGLKGJ-HTQZYQBOSA-N 1 0 237.259 1.060 20 5 BDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000381622264 344526927 /nfs/dbraw/zinc/52/69/27/344526927.db2.gz SKXBPIYQFNEMPP-PHDIDXHHSA-N 1 0 243.288 1.122 20 5 BDBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000114216871 345675513 /nfs/dbraw/zinc/67/55/13/345675513.db2.gz ZTSJLABQSCZINN-UHFFFAOYSA-N 1 0 236.275 1.132 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)cc1 ZINC000601140061 346344340 /nfs/dbraw/zinc/34/43/40/346344340.db2.gz QJAFRSGDONIISO-PHIMTYICSA-N 1 0 236.271 1.455 20 5 BDBDRO C[C@@H](NC[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000591580580 347677544 /nfs/dbraw/zinc/67/75/44/347677544.db2.gz ADYOGKDUNSZMKN-DTWKUNHWSA-N 1 0 223.276 1.593 20 5 BDBDRO O=[N+]([O-])c1cncc(Cl)c1OCC1C[NH2+]C1 ZINC000592165847 347746678 /nfs/dbraw/zinc/74/66/78/347746678.db2.gz FUODAKFZWFDRHF-UHFFFAOYSA-N 1 0 243.650 1.241 20 5 BDBDRO Cc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000592477638 347791446 /nfs/dbraw/zinc/79/14/46/347791446.db2.gz FTDAFTWXUZKSFA-DTORHVGOSA-N 1 0 249.270 1.579 20 5 BDBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000593103789 347858745 /nfs/dbraw/zinc/85/87/45/347858745.db2.gz PFBGJJWIZRUHME-MRVPVSSYSA-N 1 0 240.307 1.853 20 5 BDBDRO CC[C@H](C)[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000595600938 348295769 /nfs/dbraw/zinc/29/57/69/348295769.db2.gz QXJSMSPBAJNTHT-JTQLQIEISA-N 1 0 240.307 1.912 20 5 BDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(COC3)C2)cc1 ZINC000595836105 348370152 /nfs/dbraw/zinc/37/01/52/348370152.db2.gz ZSCPKOZHTXRHIX-UHFFFAOYSA-N 1 0 248.282 1.817 20 5 BDBDRO Cc1ccc(C[NH2+]CC2COC2)cc1[N+](=O)[O-] ZINC000599010735 349075618 /nfs/dbraw/zinc/07/56/18/349075618.db2.gz COMOBKUAQHHKDK-UHFFFAOYSA-N 1 0 236.271 1.639 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2COC2)cc1 ZINC000599012812 349076489 /nfs/dbraw/zinc/07/64/89/349076489.db2.gz WHTFFBRIYDGBRO-UHFFFAOYSA-N 1 0 222.244 1.331 20 5 BDBDRO C[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CO1 ZINC000402206858 350043075 /nfs/dbraw/zinc/04/30/75/350043075.db2.gz IBMDPUDDEMBKHC-APPZFPTMSA-N 1 0 242.300 1.923 20 5 BDBDRO Cc1nc(N[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124121247 180025788 /nfs/dbraw/zinc/02/57/88/180025788.db2.gz LKJPAIVNMDZEEI-VIFPVBQESA-N 1 0 236.275 1.462 20 5 BDBDRO O=[N+]([O-])c1ccc(OC[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000051889117 350537265 /nfs/dbraw/zinc/53/72/65/350537265.db2.gz SQRVVNIUTLWJBD-MRVPVSSYSA-N 1 0 240.234 1.722 20 5 BDBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000386911857 363061557 /nfs/dbraw/zinc/06/15/57/363061557.db2.gz QCDSLFCLSMTTCH-BXKDBHETSA-N 1 0 238.287 1.844 20 5 BDBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000386852874 363052948 /nfs/dbraw/zinc/05/29/48/363052948.db2.gz DBYZRLCBJBDSFB-ZJUUUORDSA-N 1 0 238.287 1.496 20 5 BDBDRO Cc1cnc(OC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000574986449 353514973 /nfs/dbraw/zinc/51/49/73/353514973.db2.gz KEGOFWIDQKTMIK-ZETCQYMHSA-N 1 0 211.221 1.024 20 5 BDBDRO Cc1nc(N[C@H](C)CCC[NH3+])ncc1[N+](=O)[O-] ZINC000420260672 192189975 /nfs/dbraw/zinc/18/99/75/192189975.db2.gz OEBKNFUOTZOYJW-SSDOTTSWSA-N 1 0 239.279 1.233 20 5 BDBDRO Cc1nc(N[C@@H](C)CCC[NH3+])ncc1[N+](=O)[O-] ZINC000420260673 192190079 /nfs/dbraw/zinc/19/00/79/192190079.db2.gz OEBKNFUOTZOYJW-ZETCQYMHSA-N 1 0 239.279 1.233 20 5 BDBDRO C[C@H]([NH3+])CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420365904 192223768 /nfs/dbraw/zinc/22/37/68/192223768.db2.gz SYVFEJMNBGXXNR-JTQLQIEISA-N 1 0 249.314 1.906 20 5 BDBDRO COCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000054361601 363570483 /nfs/dbraw/zinc/57/04/83/363570483.db2.gz VHGZBQSGPQLABB-UHFFFAOYSA-N 1 0 238.287 1.981 20 5 BDBDRO C[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035602257 358002429 /nfs/dbraw/zinc/00/24/29/358002429.db2.gz CALNQSQJIUGOOX-IUCAKERBSA-N 1 0 224.260 1.626 20 5 BDBDRO Cc1c(CN2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000035648542 358016065 /nfs/dbraw/zinc/01/60/65/358016065.db2.gz DYIQPJUQWWXUHO-UHFFFAOYSA-N 1 0 249.314 1.699 20 5 BDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000044725699 358553004 /nfs/dbraw/zinc/55/30/04/358553004.db2.gz XGNZUXYPUDEJKG-QMMMGPOBSA-N 1 0 249.274 1.033 20 5 BDBDRO [NH3+]CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000051355065 358749682 /nfs/dbraw/zinc/74/96/82/358749682.db2.gz DSQQHQYDUXBINV-UHFFFAOYSA-N 1 0 238.247 1.065 20 5 BDBDRO CC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926305 358801978 /nfs/dbraw/zinc/80/19/78/358801978.db2.gz UYCMSXHNORCJJE-LLVKDONJSA-N 1 0 224.260 1.455 20 5 BDBDRO C[C@@H]1C[C@@H](C)[NH+]1CCn1cc([N+](=O)[O-])cn1 ZINC000548424527 325455778 /nfs/dbraw/zinc/45/57/78/325455778.db2.gz QRRCGLYSPTUMNG-RKDXNWHRSA-N 1 0 224.264 1.274 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCO ZINC000573386153 364821988 /nfs/dbraw/zinc/82/19/88/364821988.db2.gz UNGQXYOBEWDSJE-NSHDSACASA-N 1 0 236.271 1.554 20 5 BDBDRO [NH3+]CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000040584941 181381446 /nfs/dbraw/zinc/38/14/46/181381446.db2.gz WLNDKHVTJZWACK-QPJJXVBHSA-N 1 0 249.270 1.073 20 5 BDBDRO CC[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000581603294 367627794 /nfs/dbraw/zinc/62/77/94/367627794.db2.gz RQUWSNPBJDNXAE-LBPRGKRZSA-N 1 0 238.287 1.498 20 5 BDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000404792909 369435430 /nfs/dbraw/zinc/43/54/30/369435430.db2.gz RYVXPFLOBUQSAV-NEPJUHHUSA-N 1 0 249.314 1.810 20 5 BDBDRO CC[C@@H](O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000131703071 371654320 /nfs/dbraw/zinc/65/43/20/371654320.db2.gz DDPKAQPEUDDWBQ-SECBINFHSA-N 1 0 244.316 1.907 20 5 BDBDRO CC(C)CC[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602440908 371805449 /nfs/dbraw/zinc/80/54/49/371805449.db2.gz MTCFFBKQTHPOKB-UHFFFAOYSA-N 1 0 240.307 1.806 20 5 BDBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1C ZINC000602486432 371813669 /nfs/dbraw/zinc/81/36/69/371813669.db2.gz UFIFTMWNXHQEPQ-RKDXNWHRSA-N 1 0 238.291 1.559 20 5 BDBDRO Cn1cc(C[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])n1 ZINC000602771510 371837976 /nfs/dbraw/zinc/83/79/76/371837976.db2.gz BRVPUQASLUJNOM-UHFFFAOYSA-N 1 0 238.291 1.703 20 5 BDBDRO CC[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000603743641 371925232 /nfs/dbraw/zinc/92/52/32/371925232.db2.gz MXTLSCIHURHVRV-MRVPVSSYSA-N 1 0 237.259 1.531 20 5 BDBDRO CN(CCC[NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000133214744 372005821 /nfs/dbraw/zinc/00/58/21/372005821.db2.gz QKNVMBLMBNMZNP-UHFFFAOYSA-N 1 0 223.276 1.375 20 5 BDBDRO O=[N+]([O-])c1cccnc1N[C@@H]1CCC[NH2+]C1 ZINC000040434927 182953243 /nfs/dbraw/zinc/95/32/43/182953243.db2.gz ZSTKQCMGVGQGCL-MRVPVSSYSA-N 1 0 222.248 1.154 20 5 BDBDRO CCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010707 169197807 /nfs/dbraw/zinc/19/78/07/169197807.db2.gz RIVDQNPEFPKMAT-JTQLQIEISA-N 1 0 238.291 1.838 20 5 BDBDRO CCC[NH2+]CCNc1ccc([N+](=O)[O-])cn1 ZINC000054267527 169260730 /nfs/dbraw/zinc/26/07/30/169260730.db2.gz KPUNYFLRBABGSS-UHFFFAOYSA-N 1 0 224.264 1.401 20 5 BDBDRO C[C@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000096811755 383942843 /nfs/dbraw/zinc/94/28/43/383942843.db2.gz DICYFSJERUWRQZ-SECBINFHSA-N 1 0 224.260 1.455 20 5 BDBDRO Cc1cc(N2CC[C@@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000310208475 384047704 /nfs/dbraw/zinc/04/77/04/384047704.db2.gz CZKNMEWIOCEFFU-MRVPVSSYSA-N 1 0 239.250 1.580 20 5 BDBDRO CCO[C@@H]1C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000572823839 384171517 /nfs/dbraw/zinc/17/15/17/384171517.db2.gz ZVYDHRROFSCLBG-ZYHUDNBSSA-N 1 0 236.271 1.862 20 5 BDBDRO COC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310462987 384177123 /nfs/dbraw/zinc/17/71/23/384177123.db2.gz WFDDPTKEESBPQF-MRVPVSSYSA-N 1 0 242.250 1.858 20 5 BDBDRO C[N@H+](CCC1CC1)CCn1ccc([N+](=O)[O-])n1 ZINC000135252853 384196091 /nfs/dbraw/zinc/19/60/91/384196091.db2.gz VERLXTTUMBFZSB-UHFFFAOYSA-N 1 0 238.291 1.523 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCO)c(F)c1 ZINC000336718814 384256885 /nfs/dbraw/zinc/25/68/85/384256885.db2.gz REOMKULKEQKMNE-UHFFFAOYSA-N 1 0 242.250 1.596 20 5 BDBDRO C[C@@H](O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000075783304 384339171 /nfs/dbraw/zinc/33/91/71/384339171.db2.gz GNIZUKKXWAETTL-SNVBAGLBSA-N 1 0 238.287 1.798 20 5 BDBDRO [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422737436 384467157 /nfs/dbraw/zinc/46/71/57/384467157.db2.gz IFCKVHLTUWFCOK-QWHCGFSZSA-N 1 0 249.314 1.607 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2ccnc2)cc1 ZINC000044290004 384572980 /nfs/dbraw/zinc/57/29/80/384572980.db2.gz GWRRMZDCNBVNFE-UHFFFAOYSA-N 1 0 246.270 1.581 20 5 BDBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000049937513 384578036 /nfs/dbraw/zinc/57/80/36/384578036.db2.gz WTCSGQWCAHQBCF-UHFFFAOYSA-N 1 0 224.264 1.353 20 5 BDBDRO O=[N+]([O-])c1cccnc1NCC[N@H+]1CC=CCC1 ZINC000280160164 384660484 /nfs/dbraw/zinc/66/04/84/384660484.db2.gz GJYFFAPPTBQVHH-UHFFFAOYSA-N 1 0 248.286 1.664 20 5 BDBDRO CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071309390 384812287 /nfs/dbraw/zinc/81/22/87/384812287.db2.gz IVKSROQDTHJEHJ-NSHDSACASA-N 1 0 235.287 1.389 20 5 BDBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC2)nc1 ZINC000309529829 384930378 /nfs/dbraw/zinc/93/03/78/384930378.db2.gz VRPAQSNAKUCYIA-UHFFFAOYSA-N 1 0 222.248 1.107 20 5 BDBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000364317715 385029912 /nfs/dbraw/zinc/02/99/12/385029912.db2.gz OWZYOUJZWZOZQM-LBPRGKRZSA-N 1 0 248.282 1.552 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCOC2)cc1 ZINC000109431315 385163918 /nfs/dbraw/zinc/16/39/18/385163918.db2.gz CHYSDGWOAMWJDL-NSHDSACASA-N 1 0 236.271 1.516 20 5 BDBDRO C[NH2+][C@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000129140625 385731113 /nfs/dbraw/zinc/73/11/13/385731113.db2.gz WAPIXOFKSKYWSD-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CC[NH2+]C1 ZINC000414880731 385979446 /nfs/dbraw/zinc/97/94/46/385979446.db2.gz KOHBPUPHCBJNJV-KTLBGCOUSA-N 1 0 247.298 1.560 20 5 BDBDRO Cc1ccc(C[NH2+]CCN2CCC2)cc1[N+](=O)[O-] ZINC000344833205 386195144 /nfs/dbraw/zinc/19/51/44/386195144.db2.gz DKZFFDWMYKXSOA-UHFFFAOYSA-N 1 0 249.314 1.699 20 5 BDBDRO C[C@@H]([NH3+])CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000063170133 386323514 /nfs/dbraw/zinc/32/35/14/386323514.db2.gz CKKUIRFDENYBOU-MRVPVSSYSA-N 1 0 237.259 1.062 20 5 BDBDRO C[C@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000151260305 386493505 /nfs/dbraw/zinc/49/35/05/386493505.db2.gz ZKCZVIBHVHJVTL-ONGXEEELSA-N 1 0 238.291 1.570 20 5 BDBDRO C[C@H]1CC[NH2+]C[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000414921289 386581626 /nfs/dbraw/zinc/58/16/26/386581626.db2.gz DIZCLZSXBBNRTQ-GXFFZTMASA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000414921296 386582077 /nfs/dbraw/zinc/58/20/77/386582077.db2.gz DIZCLZSXBBNRTQ-ZWNOBZJWSA-N 1 0 249.314 1.682 20 5 BDBDRO C[NH2+]CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414820937 386675376 /nfs/dbraw/zinc/67/53/76/386675376.db2.gz KNVPIZQCZXXKPY-UHFFFAOYSA-N 1 0 223.276 1.212 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+](C)C)c1 ZINC000087150665 386697376 /nfs/dbraw/zinc/69/73/76/386697376.db2.gz FGYJAOLVZHKNMY-UHFFFAOYSA-N 1 0 223.276 1.877 20 5 BDBDRO [NH3+]C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000044539812 386723658 /nfs/dbraw/zinc/72/36/58/386723658.db2.gz ZJDZCXHIMROVPP-CYBMUJFWSA-N 1 0 249.314 1.908 20 5 BDBDRO C[C@@H](NC(=O)C1([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000088130258 386839562 /nfs/dbraw/zinc/83/95/62/386839562.db2.gz LLIDKPGAMPFXSS-MRVPVSSYSA-N 1 0 249.270 1.263 20 5 BDBDRO CC[NH2+]CCNCc1ccc([N+](=O)[O-])cc1C ZINC000414836938 387300507 /nfs/dbraw/zinc/30/05/07/387300507.db2.gz XABDZJPTTNTEDD-UHFFFAOYSA-N 1 0 237.303 1.602 20 5 BDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000035601516 387373608 /nfs/dbraw/zinc/37/36/08/387373608.db2.gz MVGJGGWDRYAATG-ZJUUUORDSA-N 1 0 238.287 1.935 20 5 BDBDRO Cc1ccc(CN(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000347089598 387349684 /nfs/dbraw/zinc/34/96/84/387349684.db2.gz FFJMFHNQQODFRF-SNVBAGLBSA-N 1 0 237.303 1.682 20 5 BDBDRO [NH3+][C@H](CNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000414902979 387600942 /nfs/dbraw/zinc/60/09/42/387600942.db2.gz ZCISSPVXNGDTLY-SECBINFHSA-N 1 0 241.316 1.483 20 5 BDBDRO C[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000414954944 387616726 /nfs/dbraw/zinc/61/67/26/387616726.db2.gz SZUDTKMAGBXHAM-JQWIXIFHSA-N 1 0 249.314 1.825 20 5 BDBDRO C[NH2+]CCCNCc1ccc([N+](=O)[O-])cc1F ZINC000414859340 387564583 /nfs/dbraw/zinc/56/45/83/387564583.db2.gz MLVGYABLBVFRTI-UHFFFAOYSA-N 1 0 241.266 1.433 20 5 BDBDRO C[C@@H](C[NH3+])N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000347034791 387843054 /nfs/dbraw/zinc/84/30/54/387843054.db2.gz CNJUVXJHYRTKJN-ZRQQLDRUSA-N 1 0 249.314 1.887 20 5 BDBDRO CC[NH2+]CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423248505 388032066 /nfs/dbraw/zinc/03/20/66/388032066.db2.gz QUYPTYCWGUCLBT-JTQLQIEISA-N 1 0 237.303 1.855 20 5 BDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000090539512 388355396 /nfs/dbraw/zinc/35/53/96/388355396.db2.gz BIXLAGKQXFIZKZ-SECBINFHSA-N 1 0 238.291 1.570 20 5 BDBDRO C[C@@H](C[NH+](C)C)Nc1ccccc1[N+](=O)[O-] ZINC000130603842 388404864 /nfs/dbraw/zinc/40/48/64/388404864.db2.gz PTZIZFNTHOKHMQ-VIFPVBQESA-N 1 0 223.276 1.957 20 5 BDBDRO CO[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000353883511 388374981 /nfs/dbraw/zinc/37/49/81/388374981.db2.gz URMPMDQWGAOREI-SECBINFHSA-N 1 0 242.300 1.877 20 5 BDBDRO C[C@H](C[NH3+])N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000237635785 388398115 /nfs/dbraw/zinc/39/81/15/388398115.db2.gz DQOHVYFNGFYGCH-ZCFIWIBFSA-N 1 0 243.288 1.076 20 5 BDBDRO C[C@@H]1C[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000548424525 388536709 /nfs/dbraw/zinc/53/67/09/388536709.db2.gz QRRCGLYSPTUMNG-DTORHVGOSA-N 1 0 224.264 1.274 20 5 BDBDRO CC[C@@H](NCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037712731 388586679 /nfs/dbraw/zinc/58/66/79/388586679.db2.gz KYVGTKYCYIRVTG-LLVKDONJSA-N 1 0 223.276 1.594 20 5 BDBDRO C[C@@H](NC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000038041515 388599419 /nfs/dbraw/zinc/59/94/19/388599419.db2.gz VVGYJMBJODLTOY-SNVBAGLBSA-N 1 0 249.314 1.997 20 5 BDBDRO C[C@H](NC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000038041514 388599464 /nfs/dbraw/zinc/59/94/64/388599464.db2.gz VVGYJMBJODLTOY-JTQLQIEISA-N 1 0 249.314 1.997 20 5 BDBDRO C[NH2+][C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000123158127 388629722 /nfs/dbraw/zinc/62/97/22/388629722.db2.gz JEDOHWDYMXOIBQ-LBPRGKRZSA-N 1 0 249.314 1.431 20 5 BDBDRO CC[C@H](O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000124354541 388746710 /nfs/dbraw/zinc/74/67/10/388746710.db2.gz IBPRRRRZRXXNHY-LBPRGKRZSA-N 1 0 238.287 1.845 20 5 BDBDRO C[C@@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449060402 388747032 /nfs/dbraw/zinc/74/70/32/388747032.db2.gz FOBMLRUYMXKVAI-VHSXEESVSA-N 1 0 238.287 1.496 20 5 BDBDRO C[C@@H]([NH3+])C[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000422930017 388686967 /nfs/dbraw/zinc/68/69/67/388686967.db2.gz ASIXYZDTEZOJLF-ZJUUUORDSA-N 1 0 237.303 1.810 20 5 BDBDRO Cc1c([C@H](C)N[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423210219 388687818 /nfs/dbraw/zinc/68/78/18/388687818.db2.gz WLAAFPIBQXBKMZ-WDEREUQCSA-N 1 0 249.314 1.916 20 5 BDBDRO C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000423142957 388687935 /nfs/dbraw/zinc/68/79/35/388687935.db2.gz BXKHJHYZGMKUDE-VHSXEESVSA-N 1 0 249.314 1.853 20 5 BDBDRO CC[NH2+]CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423235737 388690026 /nfs/dbraw/zinc/69/00/26/388690026.db2.gz BABZSWLZLAKAKO-SNVBAGLBSA-N 1 0 237.303 1.855 20 5 BDBDRO O=[N+]([O-])c1ccn(CC[NH+]2C3CCC2CC3)n1 ZINC000530665506 388715283 /nfs/dbraw/zinc/71/52/83/388715283.db2.gz ZQRZWLCAKUFNNI-UHFFFAOYSA-N 1 0 236.275 1.418 20 5 BDBDRO CC[C@](C)(CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000070710448 388731451 /nfs/dbraw/zinc/73/14/51/388731451.db2.gz NKWOAZRJUZJDKN-SNVBAGLBSA-N 1 0 244.316 1.907 20 5 BDBDRO Cc1n[nH]cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037502779 388886007 /nfs/dbraw/zinc/88/60/07/388886007.db2.gz BPGCNYYXTXLMAH-UHFFFAOYSA-N 1 0 246.270 1.916 20 5 BDBDRO CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153177875 388947596 /nfs/dbraw/zinc/94/75/96/388947596.db2.gz BKHGVOVHCMCZPT-UHFFFAOYSA-N 1 0 206.245 1.973 20 5 BDBDRO C[C@H]1C[NH2+]CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000054374954 132233688 /nfs/dbraw/zinc/23/36/88/132233688.db2.gz PFQRJZSXRTZUIU-QMMMGPOBSA-N 1 0 239.250 1.532 20 5 BDBDRO [NH3+]C[C@@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000044559705 132354460 /nfs/dbraw/zinc/35/44/60/132354460.db2.gz RXYNZEIHONZKKA-VIFPVBQESA-N 1 0 236.275 1.307 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([NH3+])CC1 ZINC000052812978 132362477 /nfs/dbraw/zinc/36/24/77/132362477.db2.gz NFQIJHHWOLLPIC-UHFFFAOYSA-N 1 0 236.275 1.226 20 5 BDBDRO CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000057366613 132365552 /nfs/dbraw/zinc/36/55/52/132365552.db2.gz NYVDPWUNMWOSOA-UHFFFAOYSA-N 1 0 235.287 1.737 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)cn1 ZINC000345384872 133765929 /nfs/dbraw/zinc/76/59/29/133765929.db2.gz RNGMYLAXTNSMJN-UHFFFAOYSA-N 1 0 248.286 1.274 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)[C@H]([NH3+])C1 ZINC000261541583 135181658 /nfs/dbraw/zinc/18/16/58/135181658.db2.gz KOIVJMAENFPMPW-WCBMZHEXSA-N 1 0 236.275 1.082 20 5 BDBDRO Cc1cc(N2CC[C@H]([NH3+])[C@H]2C)ncc1[N+](=O)[O-] ZINC000261555561 135195415 /nfs/dbraw/zinc/19/54/15/135195415.db2.gz PXPFTPRTYZGORG-BDAKNGLRSA-N 1 0 236.275 1.224 20 5 BDBDRO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000261561135 135201686 /nfs/dbraw/zinc/20/16/86/135201686.db2.gz VEQNYNPEZZRUTP-SKDRFNHKSA-N 1 0 235.287 1.516 20 5 BDBDRO C[C@@H]1[C@H]([NH3+])CCN1c1ccccc1[N+](=O)[O-] ZINC000261563874 135206311 /nfs/dbraw/zinc/20/63/11/135206311.db2.gz CEBGSAGHMMVQPK-RKDXNWHRSA-N 1 0 221.260 1.521 20 5 BDBDRO C[C@H]1C[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000261567593 135209413 /nfs/dbraw/zinc/20/94/13/135209413.db2.gz ITBBOGKLAKCAFF-GWCFXTLKSA-N 1 0 249.314 1.682 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000261578814 135220101 /nfs/dbraw/zinc/22/01/01/135220101.db2.gz PDJDPABVFXFYAP-ONGXEEELSA-N 1 0 248.286 1.178 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261585613 135227195 /nfs/dbraw/zinc/22/71/95/135227195.db2.gz TXYQNRNYHOGOCM-NXEZZACHSA-N 1 0 248.286 1.178 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261594548 135234790 /nfs/dbraw/zinc/23/47/90/135234790.db2.gz ZVRZIDGZKXPPNZ-ZDUSSCGKSA-N 1 0 247.298 1.785 20 5 BDBDRO C[C@H](N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000262285502 135290598 /nfs/dbraw/zinc/29/05/98/135290598.db2.gz ZPWFVFJJRXWLOT-ONGXEEELSA-N 1 0 235.287 1.607 20 5 BDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000086466936 135492164 /nfs/dbraw/zinc/49/21/64/135492164.db2.gz DYASVIOJJHHVHT-WDEREUQCSA-N 1 0 249.314 1.777 20 5 BDBDRO CO[C@@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000191200004 135508745 /nfs/dbraw/zinc/50/87/45/135508745.db2.gz UGFLVCWZDCGKQP-ZETCQYMHSA-N 1 0 230.289 1.781 20 5 BDBDRO CC[NH2+]CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000054267267 170116407 /nfs/dbraw/zinc/11/64/07/170116407.db2.gz CHGBJRCTERPTII-UHFFFAOYSA-N 1 0 227.239 1.755 20 5 BDBDRO CN1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000042544920 173122990 /nfs/dbraw/zinc/12/29/90/173122990.db2.gz UNRRJIPOJXDNMZ-LLVKDONJSA-N 1 0 235.287 1.389 20 5 BDBDRO C[NH2+]CCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000070304146 173353894 /nfs/dbraw/zinc/35/38/94/173353894.db2.gz INAVMYMARVHICI-UHFFFAOYSA-N 1 0 237.303 1.554 20 5 BDBDRO C[NH2+]C[C@@H](C)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000129526714 173364269 /nfs/dbraw/zinc/36/42/69/173364269.db2.gz DQGJJIXQNCBQFB-SECBINFHSA-N 1 0 238.291 1.566 20 5 BDBDRO C[NH2+]C[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000092132691 173375224 /nfs/dbraw/zinc/37/52/24/173375224.db2.gz NTBUFNAKIMMNGD-QMMMGPOBSA-N 1 0 237.259 1.389 20 5 BDBDRO C[NH2+]C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000071142014 173381406 /nfs/dbraw/zinc/38/14/06/173381406.db2.gz LGMFYZBZPXSFHL-GFCCVEGCSA-N 1 0 249.314 1.636 20 5 BDBDRO C[NH2+]C[C@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000094663308 173381476 /nfs/dbraw/zinc/38/14/76/173381476.db2.gz DDQBNOFKNAKICQ-LLVKDONJSA-N 1 0 249.314 1.949 20 5 BDBDRO C[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226779659 173434612 /nfs/dbraw/zinc/43/46/12/173434612.db2.gz RLSSSFDPUKXGPX-SSDOTTSWSA-N 1 0 242.304 1.240 20 5 BDBDRO C[NH2+][C@@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000129140838 173437829 /nfs/dbraw/zinc/43/78/29/173437829.db2.gz WAPIXOFKSKYWSD-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO C[C@@H]1C[C@@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357953491 176362711 /nfs/dbraw/zinc/36/27/11/176362711.db2.gz BYCQOKZFSUZSRR-NXEZZACHSA-N 1 0 238.291 1.522 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000038086934 177037455 /nfs/dbraw/zinc/03/74/55/177037455.db2.gz NIAUSEAZQHXZHT-LLVKDONJSA-N 1 0 249.314 1.951 20 5 BDBDRO C[C@H]1CCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000282111901 177125969 /nfs/dbraw/zinc/12/59/69/177125969.db2.gz PZVRSCXTFGYPCO-UWVGGRQHSA-N 1 0 238.291 1.570 20 5 BDBDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000293520258 177255446 /nfs/dbraw/zinc/25/54/46/177255446.db2.gz VZJITJKRYKSLIC-DTWKUNHWSA-N 1 0 224.264 1.132 20 5 BDBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355343952 177316959 /nfs/dbraw/zinc/31/69/59/177316959.db2.gz PKGFYIPXEOJNKN-BDAKNGLRSA-N 1 0 238.291 1.559 20 5 BDBDRO C[C@@H]1C[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357953497 177317053 /nfs/dbraw/zinc/31/70/53/177317053.db2.gz BYCQOKZFSUZSRR-ZJUUUORDSA-N 1 0 238.291 1.522 20 5 BDBDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000340930933 177373645 /nfs/dbraw/zinc/37/36/45/177373645.db2.gz TZJWTGNBLUSSCK-CABZTGNLSA-N 1 0 236.271 1.550 20 5 BDBDRO C[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000062889994 177457294 /nfs/dbraw/zinc/45/72/94/177457294.db2.gz GZSWBNRIFZSCLR-LBPRGKRZSA-N 1 0 249.270 1.533 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccccc1[N+](=O)[O-] ZINC000069134412 324929074 /nfs/dbraw/zinc/92/90/74/324929074.db2.gz GMMHDRLFZRRIKE-PHIMTYICSA-N 1 0 249.314 1.777 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CO ZINC000129338884 324938521 /nfs/dbraw/zinc/93/85/21/324938521.db2.gz DTOFQDJCRMCDLW-NXEZZACHSA-N 1 0 238.287 1.935 20 5 BDBDRO C[NH2+][C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000053204918 536365784 /nfs/dbraw/zinc/36/57/84/536365784.db2.gz ULIJJPDCSQMDHJ-SECBINFHSA-N 1 0 236.275 1.178 20 5 BDBDRO C[NH2+][C@H](C)CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000261543322 536404351 /nfs/dbraw/zinc/40/43/51/536404351.db2.gz CVJLVEMZCNTTOE-MRVPVSSYSA-N 1 0 239.275 1.623 20 5 BDBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000853652070 588752507 /nfs/dbraw/zinc/75/25/07/588752507.db2.gz ZQMVYONZDXKYCE-UHFFFAOYSA-N 1 0 235.287 1.593 20 5 BDBDRO Cn1cc(C[NH2+][C@H]2CCC2(C)C)c([N+](=O)[O-])n1 ZINC000877521647 583322875 /nfs/dbraw/zinc/32/28/75/583322875.db2.gz GBNGILONLGUSJP-VIFPVBQESA-N 1 0 238.291 1.607 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000791051629 583383691 /nfs/dbraw/zinc/38/36/91/583383691.db2.gz HESQFRWVWBVZSM-GFCCVEGCSA-N 1 0 220.272 1.753 20 5 BDBDRO CN1CC[C@@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000895770018 583724052 /nfs/dbraw/zinc/72/40/52/583724052.db2.gz YHTXQGFHGNDCES-SSDOTTSWSA-N 1 0 240.238 1.245 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000899890829 584246261 /nfs/dbraw/zinc/24/62/61/584246261.db2.gz IGWNWZXQPCPWML-ZETCQYMHSA-N 1 0 241.118 1.827 20 5 BDBDRO CC1(C)C[NH2+]C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000903823903 584804473 /nfs/dbraw/zinc/80/44/73/584804473.db2.gz KTFXWNRTJCEPDZ-LBPRGKRZSA-N 1 0 249.314 1.682 20 5 BDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC=CCC2)cc1 ZINC000778968340 585743297 /nfs/dbraw/zinc/74/32/97/585743297.db2.gz ZEMFQEBQHPFLQA-CYBMUJFWSA-N 1 0 248.282 1.890 20 5 BDBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC[N+](=O)[O-] ZINC000791052118 585972497 /nfs/dbraw/zinc/97/24/97/585972497.db2.gz LMIGVXZXKSJYSY-VWYCJHECSA-N 1 0 212.293 1.916 20 5 BDBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC[N+](=O)[O-] ZINC000791052116 585972901 /nfs/dbraw/zinc/97/29/01/585972901.db2.gz LMIGVXZXKSJYSY-OUAUKWLOSA-N 1 0 212.293 1.916 20 5 BDBDRO CC[N@H+](CCc1ccccc1)CC[N+](=O)[O-] ZINC000791054780 585973404 /nfs/dbraw/zinc/97/34/04/585973404.db2.gz XSVSYLLBQCLLCG-UHFFFAOYSA-N 1 0 222.288 1.828 20 5 BDBDRO C[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843219072 588093767 /nfs/dbraw/zinc/09/37/67/588093767.db2.gz SJPMTEAENGKDLJ-UHFFFAOYSA-N 1 0 240.244 1.426 20 5 BDBDRO C[C@H](COC(=O)C[C@@H](C)n1ccnc1)[N+](=O)[O-] ZINC000845577249 588233946 /nfs/dbraw/zinc/23/39/46/588233946.db2.gz QZSWKPBNJDMWII-RKDXNWHRSA-N 1 0 241.247 1.043 20 5 BDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107571248 588380980 /nfs/dbraw/zinc/38/09/80/588380980.db2.gz WIFZVJSMULEPCY-AOOOYVTPSA-N 1 0 233.271 1.250 20 5 BDBDRO O=[N+]([O-])c1cnn(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000872712713 589963987 /nfs/dbraw/zinc/96/39/87/589963987.db2.gz XVVUWJKYRXCEBH-PHIMTYICSA-N 1 0 248.286 1.647 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCO ZINC000873007681 589978799 /nfs/dbraw/zinc/97/87/99/589978799.db2.gz ZQOXWVVHGXCITA-UHFFFAOYSA-N 1 0 238.287 1.684 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2C[C@H]21 ZINC000878318459 590544143 /nfs/dbraw/zinc/54/41/43/590544143.db2.gz ZIIVLZGXBLZJAZ-VHSXEESVSA-N 1 0 236.275 1.194 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]([NH3+])C2CC2)n1 ZINC000129328165 591278918 /nfs/dbraw/zinc/27/89/18/591278918.db2.gz BESJJUGSZBVXQV-VIFPVBQESA-N 1 0 236.275 1.447 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[NH2+]C2)c1 ZINC000133797654 591859125 /nfs/dbraw/zinc/85/91/25/591859125.db2.gz RXGOHCUCCNFYBH-SNVBAGLBSA-N 1 0 235.287 1.925 20 5 BDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000886284363 592200318 /nfs/dbraw/zinc/20/03/18/592200318.db2.gz UYROSZOWKIKOGD-ONGXEEELSA-N 1 0 233.271 1.832 20 5 BDBDRO [NH2+]=C(NCc1ccccc1[N+](=O)[O-])NCC1CC1 ZINC000887348284 592484928 /nfs/dbraw/zinc/48/49/28/592484928.db2.gz BYMIUHDWTNDRFF-UHFFFAOYSA-N 1 0 248.286 1.619 20 5 BDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000308656283 631467954 /nfs/dbraw/zinc/46/79/54/631467954.db2.gz OGDBVWQCVQCJRR-SECBINFHSA-N 1 0 200.282 1.822 20 5 BDBDRO C[C@H](O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443410 631914354 /nfs/dbraw/zinc/91/43/54/631914354.db2.gz MGXXWMOZBOGLRV-ZETCQYMHSA-N 1 0 244.678 1.719 20 5 BDBDRO O=[N+]([O-])c1ccc(F)cc1OC[C@H]1CC[NH2+]C1 ZINC000051890672 631999773 /nfs/dbraw/zinc/99/97/73/631999773.db2.gz ABNIBPMISGQSLK-QMMMGPOBSA-N 1 0 240.234 1.722 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)C2CC2)cs1 ZINC000309484179 632419375 /nfs/dbraw/zinc/41/93/75/632419375.db2.gz FPGIHFMACGQRBC-VIFPVBQESA-N 1 0 242.300 1.517 20 5 BDBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC[N+](=O)[O-] ZINC000930692928 634037029 /nfs/dbraw/zinc/03/70/29/634037029.db2.gz OASNDPODACZNJJ-NXEZZACHSA-N 1 0 200.282 1.822 20 5 BDBDRO C[C@H]([NH3+])CN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000310301274 634110743 /nfs/dbraw/zinc/11/07/43/634110743.db2.gz QKIWOGZCCSDTGW-QMMMGPOBSA-N 1 0 241.266 1.513 20 5 BDBDRO CN(CC[NH3+])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000054419411 636636353 /nfs/dbraw/zinc/63/63/53/636636353.db2.gz NMTBTVNVMSALSA-UHFFFAOYSA-N 1 0 243.694 1.639 20 5 BDBDRO C[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000192763992 636956014 /nfs/dbraw/zinc/95/60/14/636956014.db2.gz ACLJQADTTUFCMB-UHFFFAOYSA-N 1 0 224.264 1.623 20 5 BDBDRO O=[N+]([O-])c1cn(C[C@@H]2CCCC[NH2+]C2)cn1 ZINC000899624606 637101308 /nfs/dbraw/zinc/10/13/08/637101308.db2.gz SOYUGKZUWYBCOT-SECBINFHSA-N 1 0 224.264 1.181 20 5 BDBDRO CCOCc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905037165 637556570 /nfs/dbraw/zinc/55/65/70/637556570.db2.gz WKPDVFQAAMDKKY-UHFFFAOYSA-N 1 0 238.287 1.589 20 5 BDBDRO Cc1cc(C)c(C[NH2+]CC[N+](=O)[O-])c(C)c1 ZINC000905038062 637557162 /nfs/dbraw/zinc/55/71/62/637557162.db2.gz NCLUXFUELYUVAB-UHFFFAOYSA-N 1 0 222.288 1.978 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1cc(F)cc(F)c1 ZINC000905078715 637580529 /nfs/dbraw/zinc/58/05/29/637580529.db2.gz BJVQRDRQGXEVTC-UHFFFAOYSA-N 1 0 230.214 1.374 20 5 BDBDRO C[C@H](COc1cccc(F)c1)[NH2+]CC[N+](=O)[O-] ZINC000905059572 637591403 /nfs/dbraw/zinc/59/14/03/637591403.db2.gz OIRXKDMILPRALC-SECBINFHSA-N 1 0 242.250 1.459 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000905065494 637598737 /nfs/dbraw/zinc/59/87/37/637598737.db2.gz OTGWJIGFKTUAGI-UHFFFAOYSA-N 1 0 248.286 1.362 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C/C=C/c1ccccc1 ZINC000905112032 637618549 /nfs/dbraw/zinc/61/85/49/637618549.db2.gz XMZXFDSQDGUTKJ-QPJJXVBHSA-N 1 0 206.245 1.566 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc2c(c1)CCO2 ZINC000905116321 637622026 /nfs/dbraw/zinc/62/20/26/637622026.db2.gz BEVGXJXISGPECT-UHFFFAOYSA-N 1 0 236.271 1.030 20 5 BDBDRO Cc1ccc(CC[C@H](C)[NH2+]CC[N+](=O)[O-])o1 ZINC000905133128 637644048 /nfs/dbraw/zinc/64/40/48/637644048.db2.gz DICDCGBQURRCNC-VIFPVBQESA-N 1 0 226.276 1.775 20 5 BDBDRO Cc1noc(C)c1[C@H](C)C[NH2+]CC[N+](=O)[O-] ZINC000905180393 637663815 /nfs/dbraw/zinc/66/38/15/637663815.db2.gz PSZMGKMJLPUQKX-SSDOTTSWSA-N 1 0 227.264 1.261 20 5 BDBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]CC[N+](=O)[O-] ZINC000905176069 637685331 /nfs/dbraw/zinc/68/53/31/637685331.db2.gz QCPOGVCURWZABT-JTQLQIEISA-N 1 0 238.287 1.580 20 5 BDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])CC(F)(F)F ZINC000905293724 637726655 /nfs/dbraw/zinc/72/66/55/637726655.db2.gz XPFTZFIOOMKUDS-ZCFIWIBFSA-N 1 0 214.187 1.441 20 5 BDBDRO CC[C@H]1CCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905272265 637729918 /nfs/dbraw/zinc/72/99/18/637729918.db2.gz GMAOOYWPBFQMJA-VHSXEESVSA-N 1 0 200.282 1.679 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc2cccnc2c1 ZINC000905398337 637795779 /nfs/dbraw/zinc/79/57/79/637795779.db2.gz FLPLNSWBQBUNQQ-UHFFFAOYSA-N 1 0 231.255 1.601 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCC12CCOCC2 ZINC000905403566 637797300 /nfs/dbraw/zinc/79/73/00/637797300.db2.gz CSFCZJWKYBOGGD-SNVBAGLBSA-N 1 0 228.292 1.060 20 5 BDBDRO CC(C)OC1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905408606 637799450 /nfs/dbraw/zinc/79/94/50/637799450.db2.gz QNMJDPCYAVCJDA-UHFFFAOYSA-N 1 0 216.281 1.200 20 5 BDBDRO CC1(C)CO[C@H](CC[NH2+]CC[N+](=O)[O-])C1 ZINC000905477589 637817886 /nfs/dbraw/zinc/81/78/86/637817886.db2.gz CZOVTZBPMJOAPV-SECBINFHSA-N 1 0 216.281 1.058 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc2ncccc2c1 ZINC000905519328 637844223 /nfs/dbraw/zinc/84/42/23/637844223.db2.gz AMYAVRYBBOSRDI-UHFFFAOYSA-N 1 0 245.282 1.644 20 5 BDBDRO [NH3+][C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000906508034 638179826 /nfs/dbraw/zinc/17/98/26/638179826.db2.gz IIDFRXOEXABUDI-ZKCHVHJHSA-N 1 0 227.289 1.236 20 5 BDBDRO [NH3+][C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000906518554 638187351 /nfs/dbraw/zinc/18/73/51/638187351.db2.gz ZWSAQETYZHLTLH-KYZUINATSA-N 1 0 239.250 1.313 20 5 BDBDRO CC(C)(C)[C@H]1CN(CC[N+](=O)[O-])CCO1 ZINC000930269322 639671753 /nfs/dbraw/zinc/67/17/53/639671753.db2.gz VZGYTHGZPDCCBD-SECBINFHSA-N 1 0 216.281 1.010 20 5 BDBDRO CC1(C)[C@H]([NH2+]CC[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000930627462 639830086 /nfs/dbraw/zinc/83/00/86/639830086.db2.gz IELDTIWGQNLSKP-BBBLOLIVSA-N 1 0 228.292 1.056 20 5 BDBDRO CO[C@@](C)([C@H](C)[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000930719220 639871793 /nfs/dbraw/zinc/87/17/93/639871793.db2.gz WJQSFGHWKCRBSH-WPRPVWTQSA-N 1 0 216.281 1.056 20 5 BDBDRO CCC(C)(C)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000930886654 639973095 /nfs/dbraw/zinc/97/30/95/639973095.db2.gz WJWASKTWFXUXBQ-UHFFFAOYSA-N 1 0 229.324 1.069 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000931536367 640262180 /nfs/dbraw/zinc/26/21/80/640262180.db2.gz JUGNMTOGDWBPON-GFCCVEGCSA-N 1 0 242.319 1.687 20 5 BDBDRO CCC1(CC)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000931617752 640289959 /nfs/dbraw/zinc/28/99/59/640289959.db2.gz ODICGEQTSHPATP-UHFFFAOYSA-N 1 0 200.282 1.918 20 5 BDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1CCCOC1 ZINC000931701593 640324111 /nfs/dbraw/zinc/32/41/11/640324111.db2.gz WNGXFWJULFZCFN-UWVGGRQHSA-N 1 0 216.281 1.058 20 5 BDBDRO Cc1cc(NC[C@@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000158267183 640826688 /nfs/dbraw/zinc/82/66/88/640826688.db2.gz JQOQEODTDBRMHK-SECBINFHSA-N 1 0 236.275 1.320 20 5 BDBDRO [NH3+]C1CC(NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000087651618 640957866 /nfs/dbraw/zinc/95/78/66/640957866.db2.gz MSACPOBJMBKGDT-UHFFFAOYSA-N 1 0 221.260 1.174 20 5 BDBDRO CN(CC[NH3+])CCc1ccccc1[N+](=O)[O-] ZINC000062727118 641085281 /nfs/dbraw/zinc/08/52/81/641085281.db2.gz QIYDRDZTHDWQOX-UHFFFAOYSA-N 1 0 223.276 1.028 20 5 BDBDRO CC(C)[C@H](C)[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000915208446 641809932 /nfs/dbraw/zinc/80/99/32/641809932.db2.gz MGOHXOACQJMURA-VIFPVBQESA-N 1 0 226.280 1.725 20 5 BDBDRO Cc1nc(C)c(Cn2cc([N+](=O)[O-])c(C)n2)[nH]1 ZINC000917733411 642115048 /nfs/dbraw/zinc/11/50/48/642115048.db2.gz UIAUBMFBMNALPU-UHFFFAOYSA-N 1 0 235.247 1.488 20 5 BDBDRO CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000071309380 643121775 /nfs/dbraw/zinc/12/17/75/643121775.db2.gz UFBUVGIHAUZPEQ-GFCCVEGCSA-N 1 0 235.287 1.389 20 5 BDBDRO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCCC2)c1 ZINC000021318983 643141961 /nfs/dbraw/zinc/14/19/61/643141961.db2.gz KMDDMSVAKDDPRO-UHFFFAOYSA-N 1 0 246.270 1.998 20 5 BDBDRO C[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185309694 643289472 /nfs/dbraw/zinc/28/94/72/643289472.db2.gz OSTRXZRFQLKOQT-SSDOTTSWSA-N 1 0 244.678 1.719 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H](CO)C2)c1 ZINC000923008696 644233255 /nfs/dbraw/zinc/23/32/55/644233255.db2.gz UJJHJPMIPRXTTC-XYPYZODXSA-N 1 0 236.271 1.455 20 5 BDBDRO [NH3+][C@H](CNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000133921690 645869263 /nfs/dbraw/zinc/86/92/63/645869263.db2.gz 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20 5 BDBDRO CC[N@H+](C1CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005749 969329650 /nfs/dbraw/zinc/32/96/50/969329650.db2.gz CRFXQDVSBLBLRC-KOLCDFICSA-N 1 0 212.293 1.916 20 5 BDBDRO COCC1C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169007456 969334293 /nfs/dbraw/zinc/33/42/93/969334293.db2.gz NXGMZTPXBAQZOD-ONGXEEELSA-N 1 0 228.292 1.010 20 5 BDBDRO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)O1 ZINC001169009670 969334569 /nfs/dbraw/zinc/33/45/69/969334569.db2.gz XCIULFPSKWZYKC-USZNOCQGSA-N 1 0 242.319 1.541 20 5 BDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1O ZINC001169010658 969339019 /nfs/dbraw/zinc/33/90/19/969339019.db2.gz FHRLDSCGKXICSB-KXNHARMFSA-N 1 0 242.319 1.135 20 5 BDBDRO C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1(C)COC1 ZINC001169034578 969352517 /nfs/dbraw/zinc/35/25/17/969352517.db2.gz HZVYFBVNUDMDEH-UWVGGRQHSA-N 1 0 228.292 1.153 20 5 BDBDRO CC(=O)c1ccncc1O[C@H](C)C[N+](C)(C)C ZINC001228039376 975862963 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ZINC001158763394 963916854 /nfs/dbraw/zinc/91/68/54/963916854.db2.gz CZPLJQFXHCSDRS-UHFFFAOYSA-N 1 0 218.216 1.239 20 5 BDBDRO C[NH+](C)CCCCNc1cnc([N+](=O)[O-])cn1 ZINC001161730841 964718226 /nfs/dbraw/zinc/71/82/26/964718226.db2.gz SKTMHDGCIMYOFB-UHFFFAOYSA-N 1 0 239.279 1.139 20 5 BDBDRO C[C@@H](OCC[N+](C)(C)C)C1CCOCC1 ZINC001224772264 964935533 /nfs/dbraw/zinc/93/55/33/964935533.db2.gz YIFZWMNLRSALMU-LLVKDONJSA-N 1 0 216.345 1.524 20 5 BDBDRO CO[C@@H](C)CO[C@@H](C)COCC[N+](C)(C)C ZINC001224773873 964937287 /nfs/dbraw/zinc/93/72/87/964937287.db2.gz MXFZJIXSEJVADX-RYUDHWBXSA-N 1 0 234.360 1.149 20 5 BDBDRO C[N+](C)(C)CCO[C@H]1COc2cnccc21 ZINC001224774823 964938963 /nfs/dbraw/zinc/93/89/63/964938963.db2.gz YIQOVVGOVDBNQP-LBPRGKRZSA-N 1 0 223.296 1.238 20 5 BDBDRO C[NH2+]C1CN(c2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001163702588 965521666 /nfs/dbraw/zinc/52/16/66/965521666.db2.gz IRGDHJJFHHNQSI-UHFFFAOYSA-N 1 0 242.666 1.051 20 5 BDBDRO C[NH2+]CCN(C)c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001163717401 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240.225 1.974 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCCCO)C1 ZINC001168959433 969308910 /nfs/dbraw/zinc/30/89/10/969308910.db2.gz VXZDZLGBRVFOGH-MNOVXSKESA-N 1 0 230.308 1.184 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C1 ZINC001168963009 969315319 /nfs/dbraw/zinc/31/53/19/969315319.db2.gz NMWONDCBTBOAMT-WHOHXGKFSA-N 1 0 242.319 1.325 20 5 BDBDRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccn1 ZINC001168963684 969316022 /nfs/dbraw/zinc/31/60/22/969316022.db2.gz PRNQGVMFWUFWTA-QWHCGFSZSA-N 1 0 249.314 1.925 20 5 BDBDRO Cn1cccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964658 969317690 /nfs/dbraw/zinc/31/76/90/969317690.db2.gz VBJMGLMKXJWXCB-GHMZBOCLSA-N 1 0 237.303 1.560 20 5 BDBDRO O=C1SCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968746 969320930 /nfs/dbraw/zinc/32/09/30/969320930.db2.gz AEVCAGPIEYCRMF-HLTSFMKQSA-N 1 0 244.316 1.054 20 5 BDBDRO CO[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168971442 969323211 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249.270 1.032 20 5 BDBDRO C[C@@H](OCCC[N+](C)(C)C)C(=O)OC(C)(C)C ZINC001224621971 973804941 /nfs/dbraw/zinc/80/49/41/973804941.db2.gz DMDZDNJGSKNNIK-LLVKDONJSA-N 1 0 246.371 1.830 20 5 BDBDRO CC1(C)C(=O)CCC[C@@H]1OCC[N+](C)(C)C ZINC001224775440 973940890 /nfs/dbraw/zinc/94/08/90/973940890.db2.gz KTOIOWDDPDPRED-LBPRGKRZSA-N 1 0 228.356 1.857 20 5 BDBDRO COC(C)(C)C[C@H](C)OCC[N+](C)(C)C ZINC001224774809 973940944 /nfs/dbraw/zinc/94/09/44/973940944.db2.gz XPPQGACNUOQGGH-NSHDSACASA-N 1 0 218.361 1.913 20 5 BDBDRO COC(=O)[C@@]1(C)C[C@@H](OCC[N+](C)(C)C)C1 ZINC001224774419 973944566 /nfs/dbraw/zinc/94/45/66/973944566.db2.gz RYOUIGXIAIWPEE-KLPPZKSPSA-N 1 0 230.328 1.051 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCCC1(C)OCCO1 ZINC001224887235 974049749 /nfs/dbraw/zinc/04/97/49/974049749.db2.gz ZHQHPFLYDTXTSC-LLVKDONJSA-N 1 0 232.344 1.251 20 5 BDBDRO Cc1ccncc1O[C@H](C)C[N+](C)(C)C ZINC001225416455 974476077 /nfs/dbraw/zinc/47/60/77/974476077.db2.gz OIUCNIXABCVLOU-LLVKDONJSA-N 1 0 209.313 1.864 20 5 BDBDRO COc1ccc(O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001225463922 974511195 /nfs/dbraw/zinc/51/11/95/974511195.db2.gz FKCWLTBTQILJSO-JTQLQIEISA-O 1 0 240.323 1.874 20 5 BDBDRO C[N@@H+]1CC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628590 974604544 /nfs/dbraw/zinc/60/45/44/974604544.db2.gz PQSHEIRZMIYIOY-QMMMGPOBSA-N 1 0 223.232 1.073 20 5 BDBDRO Nc1cc(O[C@@H](C[N+](=O)[O-])C2CC2)cc[nH+]1 ZINC001226657458 975005891 /nfs/dbraw/zinc/00/58/91/975005891.db2.gz QBICTOXPNYPTMC-VIFPVBQESA-N 1 0 223.232 1.098 20 5 BDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)O ZINC001173213762 975080066 /nfs/dbraw/zinc/08/00/66/975080066.db2.gz HQKFEIBALPBSLY-ZJUUUORDSA-N 1 0 238.287 1.496 20 5 BDBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001332886631 975309198 /nfs/dbraw/zinc/30/91/98/975309198.db2.gz KGULMHAWQDYEIN-NXEZZACHSA-N 1 0 200.282 1.822 20 5 BDBDRO C=Cc1c[nH]c(=O)nc1O[C@@H](C)C[N+](C)(C)C ZINC001227718129 975646822 /nfs/dbraw/zinc/64/68/22/975646822.db2.gz PBTMUEYGPBUUEV-VIFPVBQESA-O 1 0 238.311 1.299 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(Cl)cc1O ZINC001227983920 975829776 /nfs/dbraw/zinc/82/97/76/975829776.db2.gz WKVUJNMZJBEQTF-MRVPVSSYSA-O 1 0 245.730 1.914 20 5 BDBDRO CCc1occc(=O)c1O[C@@H](C)C[N+](C)(C)C ZINC001228354636 976151472 /nfs/dbraw/zinc/15/14/72/976151472.db2.gz PDUQIEFOXFMRGZ-JTQLQIEISA-N 1 0 240.323 1.676 20 5 BDBDRO CCc1c[nH]c(=O)nc1O[C@H](C)C[N+](C)(C)C ZINC001228416397 976195414 /nfs/dbraw/zinc/19/54/14/976195414.db2.gz RRVNNELXFLBHLT-SECBINFHSA-O 1 0 240.327 1.218 20 5 BDBDRO Cc1c(O)cc(O)cc1O[C@H](C)C[N+](C)(C)C ZINC001228488476 976251968 /nfs/dbraw/zinc/25/19/68/976251968.db2.gz MDXTWKZOVWLXFV-SECBINFHSA-O 1 0 240.323 1.880 20 5 BDBDRO CCN1CC(Oc2ccc([N+](=O)[O-])cc2C)C1 ZINC001228916621 976578512 /nfs/dbraw/zinc/57/85/12/976578512.db2.gz VDNMFQINXUJMLT-UHFFFAOYSA-N 1 0 236.271 1.986 20 5 BDBDRO Cc1ccnc2[nH]c(O[C@H](C)C[N+](C)(C)C)nc21 ZINC001231063640 977453832 /nfs/dbraw/zinc/45/38/32/977453832.db2.gz LRGDCYMXHXOOFB-SNVBAGLBSA-N 1 0 249.338 1.740 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC001336813924 977978992 /nfs/dbraw/zinc/97/89/92/977978992.db2.gz NONPCCHLGWGUFX-MNOVXSKESA-N 1 0 228.292 1.200 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001176927325 978249766 /nfs/dbraw/zinc/24/97/66/978249766.db2.gz QWCJKAUPVIVDBR-GHMZBOCLSA-N 1 0 228.292 1.297 20 5 BDBDRO C[NH+](C)CCCO[C@H](C[N+](=O)[O-])C1CC1 ZINC001206297753 978317555 /nfs/dbraw/zinc/31/75/55/978317555.db2.gz YATLYEBUCDFYCH-SNVBAGLBSA-N 1 0 216.281 1.010 20 5 BDBDRO COc1ncc(F)cc1O[C@H](C)C[N+](C)(C)C ZINC001234885692 978925623 /nfs/dbraw/zinc/92/56/23/978925623.db2.gz QFITTZVXFGRSSA-SECBINFHSA-N 1 0 243.302 1.703 20 5 BDBDRO Cc1ccc(C(C)(C)[NH2+]CC[N+](=O)[O-])cn1 ZINC001341092896 979229051 /nfs/dbraw/zinc/22/90/51/979229051.db2.gz IHEJBYWHBSGMBH-UHFFFAOYSA-N 1 0 223.276 1.491 20 5 BDBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC[N+](=O)[O-])C1 ZINC001341323729 979337565 /nfs/dbraw/zinc/33/75/65/979337565.db2.gz RZXAWORGVBSWOA-UTLUCORTSA-N 1 0 200.282 1.630 20 5 BDBDRO Cc1cc(NC(=O)C[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC001342135680 979674611 /nfs/dbraw/zinc/67/46/11/979674611.db2.gz NYYFDBUUTSDXCJ-MRVPVSSYSA-N 1 0 237.259 1.579 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+][C@H]2C[C@H]21 ZINC001580875254 981663851 /nfs/dbraw/zinc/66/38/51/981663851.db2.gz GOFUZRHBNHLVBV-CMPLNLGQSA-N 1 0 233.271 1.141 20 5 BDBDRO CCC1(CC)C[N@H+](CC[N+](=O)[O-])CCS1 ZINC001354613130 983333874 /nfs/dbraw/zinc/33/38/74/983333874.db2.gz FZOGIYSHJHXKQH-UHFFFAOYSA-N 1 0 232.349 1.871 20 5 BDBDRO CC[C@@H]([NH3+])C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246319923 987724893 /nfs/dbraw/zinc/72/48/93/987724893.db2.gz XALLXQSAEHWLTK-NEPJUHHUSA-N 1 0 249.314 1.389 20 5 BDBDRO CC[C@H]([NH3+])C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246319968 987725771 /nfs/dbraw/zinc/72/57/71/987725771.db2.gz XALLXQSAEHWLTK-RYUDHWBXSA-N 1 0 249.314 1.389 20 5 BDBDRO C[NH2+][C@@H](C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001325268112 989137477 /nfs/dbraw/zinc/13/74/77/989137477.db2.gz QEPJGRLUHJKPBJ-JTQLQIEISA-N 1 0 237.303 1.682 20 5 BDBDRO CO[C@H](C[NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC001120376900 989645161 /nfs/dbraw/zinc/64/51/61/989645161.db2.gz NSERZDOCORWGEB-LLVKDONJSA-N 1 0 242.250 1.380 20 5 BDBDRO Cc1cc(NC[C@H](C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000092026847 178169229 /nfs/dbraw/zinc/16/92/29/178169229.db2.gz WRTVOLWAJQJCNE-VIFPVBQESA-N 1 0 238.291 1.660 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)C1C[NH2+]C1 ZINC000357038815 178271054 /nfs/dbraw/zinc/27/10/54/178271054.db2.gz ABTQDPYUOSFYRY-UHFFFAOYSA-N 1 0 235.287 1.307 20 5 BDBDRO CC[C@@H](C)C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602450379 349551888 /nfs/dbraw/zinc/55/18/88/349551888.db2.gz VEARUHAUGAVZAK-SECBINFHSA-N 1 0 240.307 1.806 20 5 BDBDRO CC1=CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602647293 349657955 /nfs/dbraw/zinc/65/79/55/349657955.db2.gz ZMMBYHPECVRGEK-UHFFFAOYSA-N 1 0 236.275 1.480 20 5 BDBDRO Cc1ccc(NC(=O)C2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000147501607 398344892 /nfs/dbraw/zinc/34/48/92/398344892.db2.gz FFMTWXRUZYGVTP-UHFFFAOYSA-N 1 0 249.270 1.723 20 5 BDBDRO Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000235359808 343010927 /nfs/dbraw/zinc/01/09/27/343010927.db2.gz TVZOBMNYPZBMIO-KOLCDFICSA-N 1 0 235.287 1.687 20 5 BDBDRO O=[N+]([O-])c1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000043327080 343051085 /nfs/dbraw/zinc/05/10/85/343051085.db2.gz JLSPNBGQHBIPDJ-NSHDSACASA-N 1 0 235.287 1.436 20 5 BDBDRO C[C@H](N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000043327199 343051106 /nfs/dbraw/zinc/05/11/06/343051106.db2.gz ONXLDCQVQYDUAP-JQWIXIFHSA-N 1 0 249.314 1.997 20 5 BDBDRO C[NH2+]CCCOc1ccc([N+](=O)[O-])cc1OC ZINC000050505910 343161211 /nfs/dbraw/zinc/16/12/11/343161211.db2.gz NCPOWYBVTSJSIL-UHFFFAOYSA-N 1 0 240.259 1.592 20 5 BDBDRO CCC[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350670268 136363050 /nfs/dbraw/zinc/36/30/50/136363050.db2.gz QVKKNWUKMJRLEA-SNVBAGLBSA-N 1 0 240.307 1.912 20 5 BDBDRO C[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000096811430 343903968 /nfs/dbraw/zinc/90/39/68/343903968.db2.gz YSAAKFAWSIHZRR-VIFPVBQESA-N 1 0 224.260 1.455 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC[NH+](C)C ZINC000080684664 344132727 /nfs/dbraw/zinc/13/27/27/344132727.db2.gz HRXFCRURXDOEMV-UHFFFAOYSA-N 1 0 238.291 1.296 20 5 BDBDRO C[C@@H](NC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000084418412 344429249 /nfs/dbraw/zinc/42/92/49/344429249.db2.gz LSWYZXRQVDYKSM-MRVPVSSYSA-N 1 0 221.260 1.217 20 5 BDBDRO Cc1cnc(N2CC([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000611414367 344532326 /nfs/dbraw/zinc/53/23/26/344532326.db2.gz XXWMIHMWUQAMBJ-UHFFFAOYSA-N 1 0 236.275 1.048 20 5 BDBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000080685026 345431046 /nfs/dbraw/zinc/43/10/46/345431046.db2.gz UIRKDWWOOZQLJT-UHFFFAOYSA-N 1 0 241.266 1.732 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327652 345767927 /nfs/dbraw/zinc/76/79/27/345767927.db2.gz VCNWDSLVVLGRGV-CDMKHQONSA-N 1 0 247.298 1.702 20 5 BDBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000083662422 537918852 /nfs/dbraw/zinc/91/88/52/537918852.db2.gz LTEFNGVSHYTJNX-VIFPVBQESA-N 1 0 238.287 1.844 20 5 BDBDRO C[NH+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000005389662 346205685 /nfs/dbraw/zinc/20/56/85/346205685.db2.gz JSNWIWQOIKRWAK-UHFFFAOYSA-N 1 0 209.249 1.568 20 5 BDBDRO [NH3+]C[C@H]1CC[C@H](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000580063604 346505577 /nfs/dbraw/zinc/50/55/77/346505577.db2.gz RJGITZPQBGLLOY-MGCOHNPYSA-N 1 0 238.291 1.556 20 5 BDBDRO [NH3+][C@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591423688 347657866 /nfs/dbraw/zinc/65/78/66/347657866.db2.gz YBMHTXRQYGDGKS-ZETCQYMHSA-N 1 0 240.238 1.056 20 5 BDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cn1 ZINC000591434642 347660095 /nfs/dbraw/zinc/66/00/95/347660095.db2.gz HNQTWNBKMGQGRY-AOOOYVTPSA-N 1 0 248.286 1.321 20 5 BDBDRO C[C@@H]([NH3+])CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000591580577 347677333 /nfs/dbraw/zinc/67/73/33/347677333.db2.gz ADYOGKDUNSZMKN-BDAKNGLRSA-N 1 0 223.276 1.593 20 5 BDBDRO C[C@H]([NH3+])CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000591580581 347677875 /nfs/dbraw/zinc/67/78/75/347677875.db2.gz ADYOGKDUNSZMKN-IUCAKERBSA-N 1 0 223.276 1.593 20 5 BDBDRO C[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000591757989 347692174 /nfs/dbraw/zinc/69/21/74/347692174.db2.gz DKDBUOPZBPEZDS-VIFPVBQESA-N 1 0 224.260 1.108 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[C@H]1O ZINC000594514737 348062032 /nfs/dbraw/zinc/06/20/32/348062032.db2.gz ANUQFKAGNCYCAR-NQBHXWOUSA-N 1 0 248.282 1.695 20 5 BDBDRO C[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000594725206 348108217 /nfs/dbraw/zinc/10/82/17/348108217.db2.gz VVSIVIFIMDDGQF-KCJUWKMLSA-N 1 0 249.270 1.134 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C/C=C\CO ZINC000595071630 348188912 /nfs/dbraw/zinc/18/89/12/348188912.db2.gz POZBBLOBZZAZCP-UDSFMNFJSA-N 1 0 248.282 1.720 20 5 BDBDRO C[NH2+]C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000596105250 348440339 /nfs/dbraw/zinc/44/03/39/348440339.db2.gz ILBILIGSHLNDEB-SECBINFHSA-N 1 0 223.276 1.292 20 5 BDBDRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000596653952 348607797 /nfs/dbraw/zinc/60/77/97/348607797.db2.gz MPXCCCDIIWSURM-UWVGGRQHSA-N 1 0 237.303 1.853 20 5 BDBDRO O=[N+]([O-])c1cn(CC[C@@H]2CCC[NH2+]C2)cn1 ZINC000563081797 348619045 /nfs/dbraw/zinc/61/90/45/348619045.db2.gz RPLMMHCTUGSGMI-VIFPVBQESA-N 1 0 224.264 1.181 20 5 BDBDRO CC[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000603743643 350020902 /nfs/dbraw/zinc/02/09/02/350020902.db2.gz MXTLSCIHURHVRV-QMMMGPOBSA-N 1 0 237.259 1.531 20 5 BDBDRO Cc1nc(N2C[C@@H](C)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000235359864 180004011 /nfs/dbraw/zinc/00/40/11/180004011.db2.gz TUEPMHXDKLWODJ-APPZFPTMSA-N 1 0 236.275 1.082 20 5 BDBDRO Cc1nc(N[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124104413 180024447 /nfs/dbraw/zinc/02/44/47/180024447.db2.gz HXCVLHKRCKJFNI-MRVPVSSYSA-N 1 0 222.248 1.072 20 5 BDBDRO Cc1c(CN(C)[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000383015715 351162592 /nfs/dbraw/zinc/16/25/92/351162592.db2.gz ICDPKAKEEBOVNL-VIFPVBQESA-N 1 0 237.303 1.682 20 5 BDBDRO COc1ccc([N+](=O)[O-])c(NCC(C)(C)[NH3+])c1 ZINC000129657084 187533549 /nfs/dbraw/zinc/53/35/49/187533549.db2.gz HUKHYAIPTHAAOP-UHFFFAOYSA-N 1 0 239.275 1.753 20 5 BDBDRO Cn1cnc([N+](=O)[O-])c1NCC[NH2+]C(C)(C)C ZINC000340678632 180772997 /nfs/dbraw/zinc/77/29/97/180772997.db2.gz CMCIQBGOCSIDNO-UHFFFAOYSA-N 1 0 241.295 1.128 20 5 BDBDRO CC(C)([NH3+])CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000129675455 188222100 /nfs/dbraw/zinc/22/21/00/188222100.db2.gz KOSBVWAETQIMGW-UHFFFAOYSA-N 1 0 249.274 1.620 20 5 BDBDRO CN(CC[NH3+])c1nccc2cc([N+](=O)[O-])ccc21 ZINC000420285985 192199741 /nfs/dbraw/zinc/19/97/41/192199741.db2.gz PKKHMQSGXXOESH-UHFFFAOYSA-N 1 0 246.270 1.538 20 5 BDBDRO CC(C)[N@H+](C)CCNc1ncc([N+](=O)[O-])s1 ZINC000189686075 357658178 /nfs/dbraw/zinc/65/81/78/357658178.db2.gz TUSRFTGDUMDYRG-UHFFFAOYSA-N 1 0 244.320 1.803 20 5 BDBDRO C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035602415 358002533 /nfs/dbraw/zinc/00/25/33/358002533.db2.gz HOJXSEBLAMHWCO-QMMMGPOBSA-N 1 0 210.233 1.065 20 5 BDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000174823483 134282619 /nfs/dbraw/zinc/28/26/19/134282619.db2.gz SFNRCINYMSKQEM-UHFFFAOYSA-N 1 0 224.264 1.133 20 5 BDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCC1 ZINC000176239640 134289719 /nfs/dbraw/zinc/28/97/19/134289719.db2.gz YVGAZANBIABYPZ-UHFFFAOYSA-N 1 0 238.291 1.523 20 5 BDBDRO C[C@H](C[NH+](C)C)NCc1csc([N+](=O)[O-])c1 ZINC000130256242 358985308 /nfs/dbraw/zinc/98/53/08/358985308.db2.gz FSGFOQIWTKSXQP-MRVPVSSYSA-N 1 0 243.332 1.696 20 5 BDBDRO Cc1cc(N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000224485147 359759762 /nfs/dbraw/zinc/75/97/62/359759762.db2.gz UWBKJMYXWTURBH-UHFFFAOYSA-N 1 0 237.303 1.901 20 5 BDBDRO Cc1nn(C[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000450957872 202320897 /nfs/dbraw/zinc/32/08/97/202320897.db2.gz JYZCPLPNAUVUFL-VIFPVBQESA-N 1 0 224.264 1.051 20 5 BDBDRO CC[C@H]([NH3+])CNCc1ccccc1[N+](=O)[O-] ZINC000414978477 219885838 /nfs/dbraw/zinc/88/58/38/219885838.db2.gz LWIIUYFXTJRYOJ-JTQLQIEISA-N 1 0 223.276 1.422 20 5 BDBDRO Cc1c([C@@H](C)NC2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000579341908 366761962 /nfs/dbraw/zinc/76/19/62/366761962.db2.gz FEUZEISMKSZXIS-SECBINFHSA-N 1 0 235.287 1.526 20 5 BDBDRO C[C@@H]([NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000429814803 201133410 /nfs/dbraw/zinc/13/34/10/201133410.db2.gz WZQOSTALVKDRKF-MRVPVSSYSA-N 1 0 249.270 1.221 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1CC1 ZINC000037386745 363830576 /nfs/dbraw/zinc/83/05/76/363830576.db2.gz YGWUPQDPOYAQEK-UHFFFAOYSA-N 1 0 249.270 1.594 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2O)cc1 ZINC000037690266 364525956 /nfs/dbraw/zinc/52/59/56/364525956.db2.gz WWIDOUAELGFRGW-RYUDHWBXSA-N 1 0 236.271 1.598 20 5 BDBDRO [NH3+]CCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000082257039 181373495 /nfs/dbraw/zinc/37/34/95/181373495.db2.gz HCEYDRDJAWYHGF-UHFFFAOYSA-N 1 0 223.232 1.272 20 5 BDBDRO CC1(C)[C@H]([NH3+])C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000404763887 369435386 /nfs/dbraw/zinc/43/53/86/369435386.db2.gz FBXKPQCWKJNTPD-VXGBXAGGSA-N 1 0 249.314 1.810 20 5 BDBDRO CC[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000124731346 371226585 /nfs/dbraw/zinc/22/65/85/371226585.db2.gz YWXNELXLBSWYRK-LLVKDONJSA-N 1 0 238.287 1.498 20 5 BDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000041028132 181578260 /nfs/dbraw/zinc/57/82/60/181578260.db2.gz VRNYOGNILKDPAS-SNVBAGLBSA-N 1 0 249.270 1.158 20 5 BDBDRO C[NH2+]CCCOc1cc([N+](=O)[O-])ccc1OC ZINC000020525339 371288197 /nfs/dbraw/zinc/28/81/97/371288197.db2.gz FMUKXUSIBMZLGW-UHFFFAOYSA-N 1 0 240.259 1.592 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156374417 371393556 /nfs/dbraw/zinc/39/35/56/371393556.db2.gz BDWHYPPQELWDRE-MNOVXSKESA-N 1 0 247.298 1.926 20 5 BDBDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1csc([N+](=O)[O-])c1 ZINC000601330883 371750535 /nfs/dbraw/zinc/75/05/35/371750535.db2.gz YUMJDMMMRPXIOO-VXNVDRBHSA-N 1 0 241.316 1.578 20 5 BDBDRO C[C@H]1C[NH+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1C ZINC000602474814 371809930 /nfs/dbraw/zinc/80/99/30/371809930.db2.gz SIBAHBXRVVPUEU-IUCAKERBSA-N 1 0 238.291 1.416 20 5 BDBDRO C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C ZINC000602474813 371810484 /nfs/dbraw/zinc/81/04/84/371810484.db2.gz SIBAHBXRVVPUEU-DTORHVGOSA-N 1 0 238.291 1.416 20 5 BDBDRO CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965728 371859247 /nfs/dbraw/zinc/85/92/47/371859247.db2.gz MSFARAVMJBBIGF-LLVKDONJSA-N 1 0 224.260 1.412 20 5 BDBDRO C[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602758215 371838980 /nfs/dbraw/zinc/83/89/80/371838980.db2.gz DQUWWFIXZLMFTP-VIFPVBQESA-N 1 0 238.291 1.703 20 5 BDBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602788420 371840063 /nfs/dbraw/zinc/84/00/63/371840063.db2.gz PIFAEHYUNYIBGB-IUCAKERBSA-N 1 0 238.291 1.701 20 5 BDBDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000134181192 372173916 /nfs/dbraw/zinc/17/39/16/372173916.db2.gz YJBHGOXMACEMHL-SKDRFNHKSA-N 1 0 236.271 1.862 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCO)cc1 ZINC000040537881 373460569 /nfs/dbraw/zinc/46/05/69/373460569.db2.gz ZQRGLXOKEPWAQV-UHFFFAOYSA-N 1 0 224.260 1.457 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]2)nc1 ZINC000053255365 182936409 /nfs/dbraw/zinc/93/64/09/182936409.db2.gz PEJTXTKECKNGST-QMMMGPOBSA-N 1 0 222.248 1.154 20 5 BDBDRO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCC[NH2+]C1 ZINC000043326132 182924473 /nfs/dbraw/zinc/92/44/73/182924473.db2.gz YODYSOHFFCWUKG-VIFPVBQESA-N 1 0 239.250 1.898 20 5 BDBDRO O=[N+]([O-])c1ccccc1N[C@H]1CCC[NH2+]C1 ZINC000043326456 182952159 /nfs/dbraw/zinc/95/21/59/182952159.db2.gz SHMJTMZTLZZEEK-VIFPVBQESA-N 1 0 221.260 1.759 20 5 BDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[NH2+]C1 ZINC000040434944 182953491 /nfs/dbraw/zinc/95/34/91/182953491.db2.gz GPTYBMLDZAGZBX-VIFPVBQESA-N 1 0 236.275 1.401 20 5 BDBDRO CCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176220272 169079476 /nfs/dbraw/zinc/07/94/76/169079476.db2.gz MVJDCVZWIXKLIF-UHFFFAOYSA-N 1 0 212.253 1.133 20 5 BDBDRO CCC[NH2+]CCNc1ncc([N+](=O)[O-])cc1C ZINC000054267568 169260081 /nfs/dbraw/zinc/26/00/81/169260081.db2.gz BTCYYYYFVJCLSB-UHFFFAOYSA-N 1 0 238.291 1.710 20 5 BDBDRO CCC[NH2+]CCNc1nccc(C)c1[N+](=O)[O-] ZINC000070496600 169260721 /nfs/dbraw/zinc/26/07/21/169260721.db2.gz AAJOSCHANCEJMC-UHFFFAOYSA-N 1 0 238.291 1.710 20 5 BDBDRO CCOCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000036228364 383887035 /nfs/dbraw/zinc/88/70/35/383887035.db2.gz FSHGQBWXIOJILQ-UHFFFAOYSA-N 1 0 224.260 1.721 20 5 BDBDRO COC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310462988 384177049 /nfs/dbraw/zinc/17/70/49/384177049.db2.gz WFDDPTKEESBPQF-QMMMGPOBSA-N 1 0 242.250 1.858 20 5 BDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176205180 384467170 /nfs/dbraw/zinc/46/71/70/384467170.db2.gz VLPUTTWGTANTMG-UHFFFAOYSA-N 1 0 224.264 1.276 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[NH2+]C2)cn1 ZINC000070950536 384482044 /nfs/dbraw/zinc/48/20/44/384482044.db2.gz TYJBJVDXRAXHKM-QMMMGPOBSA-N 1 0 222.248 1.154 20 5 BDBDRO C[N@H+](CCCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000264012678 384514934 /nfs/dbraw/zinc/51/49/34/384514934.db2.gz SURLTPGUFAPQKB-UHFFFAOYSA-N 1 0 238.287 1.799 20 5 BDBDRO Cc1ccc([C@@H](C)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423372644 384554457 /nfs/dbraw/zinc/55/44/57/384554457.db2.gz RIMHCEPQQXZFKK-VHSXEESVSA-N 1 0 237.303 1.901 20 5 BDBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000565311264 384635138 /nfs/dbraw/zinc/63/51/38/384635138.db2.gz BOMRSWAYNMYDTI-UHFFFAOYSA-N 1 0 240.307 1.912 20 5 BDBDRO [NH3+]C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000044527725 384771521 /nfs/dbraw/zinc/77/15/21/384771521.db2.gz OLVWSDPEDGOXMT-LBPRGKRZSA-N 1 0 249.314 1.766 20 5 BDBDRO CC[C@@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000104225098 384813576 /nfs/dbraw/zinc/81/35/76/384813576.db2.gz QDMLQEFIJNCGFA-SECBINFHSA-N 1 0 237.259 1.062 20 5 BDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000236052085 385023307 /nfs/dbraw/zinc/02/33/07/385023307.db2.gz UANIATGFKNCUEJ-ZCFIWIBFSA-N 1 0 242.666 1.417 20 5 BDBDRO O=[N+]([O-])c1cccc(CNC[C@@H]2CCC[NH2+]2)c1 ZINC000236408244 385120129 /nfs/dbraw/zinc/12/01/29/385120129.db2.gz MELHAVGZBGVFDB-NSHDSACASA-N 1 0 235.287 1.436 20 5 BDBDRO C[NH+](C)CCCNc1ncccc1[N+](=O)[O-] ZINC000021815130 385181656 /nfs/dbraw/zinc/18/16/56/385181656.db2.gz LIZMUFPTHBSHII-UHFFFAOYSA-N 1 0 224.264 1.353 20 5 BDBDRO O=[N+]([O-])c1cnccc1NCC[N@H+]1CC=CCC1 ZINC000338710334 385270319 /nfs/dbraw/zinc/27/03/19/385270319.db2.gz GGRGJHMGKASKDR-UHFFFAOYSA-N 1 0 248.286 1.086 20 5 BDBDRO O=[N+]([O-])c1ncccc1OCC[C@H]1CC[NH2+]C1 ZINC000563078827 385463313 /nfs/dbraw/zinc/46/33/13/385463313.db2.gz IYUWBHKOIAYOSS-SECBINFHSA-N 1 0 237.259 1.368 20 5 BDBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000342789613 385904623 /nfs/dbraw/zinc/90/46/23/385904623.db2.gz RFHJULKUIQVYIP-UHFFFAOYSA-N 1 0 248.286 1.086 20 5 BDBDRO C[C@@H]([NH2+]C[C@H](C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000086624248 386094264 /nfs/dbraw/zinc/09/42/64/386094264.db2.gz IQVDQVZOUDOEIE-VHSXEESVSA-N 1 0 238.287 1.874 20 5 BDBDRO Cc1cnc(OC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000574986448 386198297 /nfs/dbraw/zinc/19/82/97/386198297.db2.gz KEGOFWIDQKTMIK-SSDOTTSWSA-N 1 0 211.221 1.024 20 5 BDBDRO C[C@@H]([NH2+]C[C@H](C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294608925 386820837 /nfs/dbraw/zinc/82/08/37/386820837.db2.gz DQFUQXMCIMVINP-JGVFFNPUSA-N 1 0 239.275 1.208 20 5 BDBDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000168602643 387540821 /nfs/dbraw/zinc/54/08/21/387540821.db2.gz DRJOPYDOZDSAOL-JTQLQIEISA-N 1 0 237.303 1.635 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)C[NH3+] ZINC000054339263 387472726 /nfs/dbraw/zinc/47/27/26/387472726.db2.gz WDSGJPDJJSRTLT-QMMMGPOBSA-N 1 0 237.259 1.437 20 5 BDBDRO C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000414927902 387609341 /nfs/dbraw/zinc/60/93/41/387609341.db2.gz AKHWPVGKZPLFQL-PWSUYJOCSA-N 1 0 249.314 1.825 20 5 BDBDRO CC[C@@H]([NH3+])CNCc1csc([N+](=O)[O-])c1 ZINC000414987310 387631652 /nfs/dbraw/zinc/63/16/52/387631652.db2.gz YUUNRADQNYXAEY-MRVPVSSYSA-N 1 0 229.305 1.483 20 5 BDBDRO CN(Cc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000036301410 387904750 /nfs/dbraw/zinc/90/47/50/387904750.db2.gz NAVOHXKMDDYAMJ-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174816630 388092965 /nfs/dbraw/zinc/09/29/65/388092965.db2.gz YNPIWTVCOUOYLE-UHFFFAOYSA-N 1 0 238.291 1.664 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+]2CCC1CC2 ZINC000302778048 388345328 /nfs/dbraw/zinc/34/53/28/388345328.db2.gz PQYZLIIYRCDJJB-UHFFFAOYSA-N 1 0 247.298 1.879 20 5 BDBDRO [NH3+]C[C@@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000131999524 388354135 /nfs/dbraw/zinc/35/41/35/388354135.db2.gz KFUXMAGCMGVJOB-VIFPVBQESA-N 1 0 239.250 1.661 20 5 BDBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CC[NH2+]C3)nc2c1 ZINC000094772126 388380214 /nfs/dbraw/zinc/38/02/14/388380214.db2.gz HDHHJGPCCFNNCJ-SSDOTTSWSA-N 1 0 247.258 1.245 20 5 BDBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000229602830 388394711 /nfs/dbraw/zinc/39/47/11/388394711.db2.gz ILGAVPGEIUQHCT-WPRPVWTQSA-N 1 0 236.275 1.542 20 5 BDBDRO C[C@@H]([NH2+]CCN1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358341510 388398711 /nfs/dbraw/zinc/39/87/11/388398711.db2.gz OGKHQDNVVDUYSJ-LLVKDONJSA-N 1 0 249.314 1.951 20 5 BDBDRO CC[N@H+](C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000090692313 388471999 /nfs/dbraw/zinc/47/19/99/388471999.db2.gz SSQJZNKKKJOZKX-UHFFFAOYSA-N 1 0 238.291 1.662 20 5 BDBDRO CN(CC[NH3+])c1ccc([N+](=O)[O-])c2cnccc21 ZINC000054419551 388518902 /nfs/dbraw/zinc/51/89/02/388518902.db2.gz GCQIKSSMEJCEPE-UHFFFAOYSA-N 1 0 246.270 1.538 20 5 BDBDRO C[C@H](NCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000037712754 388586192 /nfs/dbraw/zinc/58/61/92/388586192.db2.gz QGHMDTLYBWEQHU-QMMMGPOBSA-N 1 0 209.249 1.204 20 5 BDBDRO C[C@@H](NC(=O)CC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037766514 388642639 /nfs/dbraw/zinc/64/26/39/388642639.db2.gz RSIAWBFWCCPAEM-MRVPVSSYSA-N 1 0 237.259 1.121 20 5 BDBDRO COCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449060049 388746931 /nfs/dbraw/zinc/74/69/31/388746931.db2.gz CIGFOQISQUNVNS-SNVBAGLBSA-N 1 0 238.287 1.762 20 5 BDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCO ZINC000449218099 388748561 /nfs/dbraw/zinc/74/85/61/388748561.db2.gz FKLHECXWFKKCMD-SECBINFHSA-N 1 0 224.260 1.108 20 5 BDBDRO C[NH2+]CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423191551 388688504 /nfs/dbraw/zinc/68/85/04/388688504.db2.gz SWYVWIUJOIQQSD-SNVBAGLBSA-N 1 0 237.303 1.855 20 5 BDBDRO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423182267 388688567 /nfs/dbraw/zinc/68/85/67/388688567.db2.gz GPOHWSUXLYWEDT-ZYHUDNBSSA-N 1 0 249.314 1.997 20 5 BDBDRO Cc1ccc([C@@H](C)NCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000423308739 388691285 /nfs/dbraw/zinc/69/12/85/388691285.db2.gz YFOBXNVUPJXTOU-SNVBAGLBSA-N 1 0 249.314 1.773 20 5 BDBDRO CC[C@H]([NH3+])CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423481462 388692748 /nfs/dbraw/zinc/69/27/48/388692748.db2.gz WSTLMWSCMKKGTP-KOLCDFICSA-N 1 0 237.303 1.983 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424083432 388694436 /nfs/dbraw/zinc/69/44/36/388694436.db2.gz XKNHGHYZCJEFJN-BDAKNGLRSA-N 1 0 235.243 1.189 20 5 BDBDRO C[C@@](C[NH3+])(NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430587223 388728656 /nfs/dbraw/zinc/72/86/56/388728656.db2.gz VLKSFZSIIGOAMW-ZDUSSCGKSA-N 1 0 249.314 1.812 20 5 BDBDRO Cc1ccc(C[N@H+](C)CCCO)cc1[N+](=O)[O-] ZINC000281636551 388806265 /nfs/dbraw/zinc/80/62/65/388806265.db2.gz ADUCPMWSQDJRNN-UHFFFAOYSA-N 1 0 238.287 1.717 20 5 BDBDRO CC[NH+](CC)CCCn1cnc([N+](=O)[O-])c1 ZINC000194530379 388812750 /nfs/dbraw/zinc/81/27/50/388812750.db2.gz HRWFZOXEENMDRH-UHFFFAOYSA-N 1 0 226.280 1.523 20 5 BDBDRO CC[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000125386685 388783438 /nfs/dbraw/zinc/78/34/38/388783438.db2.gz WGAMDUGPCJIJKR-JTQLQIEISA-N 1 0 238.291 1.523 20 5 BDBDRO Cc1cc(N2CC[NH2+][C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000092026668 132237951 /nfs/dbraw/zinc/23/79/51/132237951.db2.gz YHZMFWHTRUUUHE-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO Cc1cc(N2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000054374908 132364423 /nfs/dbraw/zinc/36/44/23/132364423.db2.gz NOIPOSNAVACITB-SNVBAGLBSA-N 1 0 235.287 1.701 20 5 BDBDRO Cc1cc(NC[C@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000158267324 133500643 /nfs/dbraw/zinc/50/06/43/133500643.db2.gz JQOQEODTDBRMHK-VIFPVBQESA-N 1 0 236.275 1.320 20 5 BDBDRO C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000227526388 134383018 /nfs/dbraw/zinc/38/30/18/134383018.db2.gz YLLWKTPLRDWJFV-JTQLQIEISA-N 1 0 236.275 1.496 20 5 BDBDRO C[C@@H]([NH3+])CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261529002 135155280 /nfs/dbraw/zinc/15/52/80/135155280.db2.gz ZFJVXVQWGJXIPO-SSDOTTSWSA-N 1 0 223.232 1.271 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH3+])[C@@H]1C ZINC000261542106 135182655 /nfs/dbraw/zinc/18/26/55/135182655.db2.gz BTYVUDSKYSDLIK-WPRPVWTQSA-N 1 0 236.275 1.224 20 5 BDBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000261543229 135184228 /nfs/dbraw/zinc/18/42/28/135184228.db2.gz RWGWOWIYLSANAG-BXKDBHETSA-N 1 0 235.287 1.374 20 5 BDBDRO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000261544033 135185554 /nfs/dbraw/zinc/18/55/54/135185554.db2.gz DMWLLYBPUNNEGI-SKDRFNHKSA-N 1 0 235.287 1.516 20 5 BDBDRO Cc1nc(N2CC[C@H]([NH3+])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000261549571 135188299 /nfs/dbraw/zinc/18/82/99/135188299.db2.gz KQLXRZCOCDIJOS-IUCAKERBSA-N 1 0 236.275 1.224 20 5 BDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[NH2+]C ZINC000261560148 135201302 /nfs/dbraw/zinc/20/13/02/135201302.db2.gz UFWKVYYBHMSBIN-ZETCQYMHSA-N 1 0 241.295 1.139 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000261577455 135219250 /nfs/dbraw/zinc/21/92/50/135219250.db2.gz OJVXZLDANAKKRW-LBPRGKRZSA-N 1 0 248.286 1.180 20 5 BDBDRO Cc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261990394 135269852 /nfs/dbraw/zinc/26/98/52/135269852.db2.gz KEFYUAFMCBYSKY-CMPLNLGQSA-N 1 0 249.314 1.682 20 5 BDBDRO CC[C@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000077453212 135392102 /nfs/dbraw/zinc/39/21/02/135392102.db2.gz NHJSNQMFFVATSP-LLVKDONJSA-N 1 0 238.287 1.845 20 5 BDBDRO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000089105849 135529847 /nfs/dbraw/zinc/52/98/47/135529847.db2.gz CEKQXYYDQMWQOR-PSASIEDQSA-N 1 0 236.275 1.529 20 5 BDBDRO CC[C@@H]([NH2+]CCO)c1cccc([N+](=O)[O-])c1 ZINC000036721158 170895260 /nfs/dbraw/zinc/89/52/60/170895260.db2.gz JAEHXEKUQWZVQO-LLVKDONJSA-N 1 0 224.260 1.628 20 5 BDBDRO CCc1nn(C)c(NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000129655962 172039749 /nfs/dbraw/zinc/03/97/49/172039749.db2.gz XOEVYFPAIWXZFH-UHFFFAOYSA-N 1 0 241.295 1.040 20 5 BDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000295294076 172342402 /nfs/dbraw/zinc/34/24/02/172342402.db2.gz UNYHLFGAFXJGFG-UHFFFAOYSA-N 1 0 249.270 1.157 20 5 BDBDRO C[NH2+]CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262580969 173340071 /nfs/dbraw/zinc/34/00/71/173340071.db2.gz UMXCUXVHPIOIMI-UHFFFAOYSA-N 1 0 249.270 1.093 20 5 BDBDRO C[NH2+]CCNc1c(C)cccc1[N+](=O)[O-] ZINC000125756475 173356934 /nfs/dbraw/zinc/35/69/34/173356934.db2.gz MXTKEWPGHQRQJK-UHFFFAOYSA-N 1 0 209.249 1.535 20 5 BDBDRO C[NH2+][C@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000129110590 173467203 /nfs/dbraw/zinc/46/72/03/173467203.db2.gz BHJKDIKYQFQSCF-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO COCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282477737 174278511 /nfs/dbraw/zinc/27/85/11/174278511.db2.gz OKLKILIXHCECCH-UHFFFAOYSA-N 1 0 238.287 1.716 20 5 BDBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000351956986 176306801 /nfs/dbraw/zinc/30/68/01/176306801.db2.gz DTQOASSSMZZCST-SKDRFNHKSA-N 1 0 236.271 1.407 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCO ZINC000281956244 177042403 /nfs/dbraw/zinc/04/24/03/177042403.db2.gz UUHKWXZWSPXYHV-SNVBAGLBSA-N 1 0 238.287 1.970 20 5 BDBDRO C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176189292 177100522 /nfs/dbraw/zinc/10/05/22/177100522.db2.gz UQKMZKCCQUJFPL-JTQLQIEISA-N 1 0 238.291 1.523 20 5 BDBDRO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000235667280 177228166 /nfs/dbraw/zinc/22/81/66/177228166.db2.gz GJJYLXOPCDIWDV-WCBMZHEXSA-N 1 0 249.270 1.014 20 5 BDBDRO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000357994427 177238813 /nfs/dbraw/zinc/23/88/13/177238813.db2.gz MXAOSDZOTDJREW-CMPLNLGQSA-N 1 0 249.314 1.635 20 5 BDBDRO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070075122 177266077 /nfs/dbraw/zinc/26/60/77/177266077.db2.gz LZHOWRCRLSDLOY-QWRGUYRKSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@@H](O)[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000564848532 325816614 /nfs/dbraw/zinc/81/66/14/325816614.db2.gz DIQFHSKVLOWFAL-VHSXEESVSA-N 1 0 238.287 1.496 20 5 BDBDRO CC[C@@H](C(=O)OC[C@@H](C)[N+](=O)[O-])[NH+](CC)CC ZINC000813115120 582591913 /nfs/dbraw/zinc/59/19/13/582591913.db2.gz KURSRBWXOFGJMP-ZJUUUORDSA-N 1 0 246.307 1.315 20 5 BDBDRO C[NH2+][C@@H](C)CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000261542433 536344917 /nfs/dbraw/zinc/34/49/17/536344917.db2.gz CCOJZESTRAZZMO-QMMMGPOBSA-N 1 0 239.275 1.623 20 5 BDBDRO C[NH2+][C@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000261536086 536404806 /nfs/dbraw/zinc/40/48/06/536404806.db2.gz QHYGHCFENJLKSQ-SSDOTTSWSA-N 1 0 210.237 1.010 20 5 BDBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000728559838 583898095 /nfs/dbraw/zinc/89/80/95/583898095.db2.gz LIDBQOJBGXIXFD-JTQLQIEISA-N 1 0 236.275 1.623 20 5 BDBDRO COc1cccc(CC[NH2+]CC[N+](=O)[O-])c1 ZINC000899870269 584244489 /nfs/dbraw/zinc/24/44/89/584244489.db2.gz HIYXMDJSWNIBEG-UHFFFAOYSA-N 1 0 224.260 1.104 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCC1CCCCC1 ZINC000899869619 584244501 /nfs/dbraw/zinc/24/45/01/584244501.db2.gz HPJOQBRZJGCIOO-UHFFFAOYSA-N 1 0 200.282 1.823 20 5 BDBDRO COCc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899871566 584244540 /nfs/dbraw/zinc/24/45/40/584244540.db2.gz SILSKOVLAPOWJB-UHFFFAOYSA-N 1 0 224.260 1.199 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000899865429 584245464 /nfs/dbraw/zinc/24/54/64/584245464.db2.gz HVAMLTUPDONHMW-LBPRGKRZSA-N 1 0 234.299 1.973 20 5 BDBDRO C[N@H+](CCCNCC[N+](=O)[O-])C1CCCCC1 ZINC000899864932 584245582 /nfs/dbraw/zinc/24/55/82/584245582.db2.gz BHGKJKWUAZEMLV-UHFFFAOYSA-N 1 0 243.351 1.507 20 5 BDBDRO CC(C)[C@@H]1[N@H+](CC[N+](=O)[O-])CC12CCOCC2 ZINC000899887740 584247106 /nfs/dbraw/zinc/24/71/06/584247106.db2.gz FVLJMBJYAMCWHP-NSHDSACASA-N 1 0 242.319 1.400 20 5 BDBDRO Cn1cc(CC[NH2+]CC[N+](=O)[O-])c2ccccc21 ZINC000899894071 584248820 /nfs/dbraw/zinc/24/88/20/584248820.db2.gz ZQAIKIHLNSLEFC-UHFFFAOYSA-N 1 0 247.298 1.587 20 5 BDBDRO COc1cc([C@H](C)[NH2+]CCO)cc([N+](=O)[O-])c1 ZINC000903058989 584723024 /nfs/dbraw/zinc/72/30/24/584723024.db2.gz LPLYXYWWQTUBES-QMMMGPOBSA-N 1 0 240.259 1.246 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000903965143 584834362 /nfs/dbraw/zinc/83/43/62/584834362.db2.gz XKEOSASNVFTOSA-PWSUYJOCSA-N 1 0 249.314 1.540 20 5 BDBDRO C[C@H](C[NH3+])N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817966071 584992882 /nfs/dbraw/zinc/99/28/82/584992882.db2.gz FQXKAJWAXJNRPS-SFYZADRCSA-N 1 0 238.291 1.175 20 5 BDBDRO CC1(C)CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000798197709 586140474 /nfs/dbraw/zinc/14/04/74/586140474.db2.gz TXSCWIBZUDCWCI-UHFFFAOYSA-N 1 0 200.282 1.775 20 5 BDBDRO C[C@H]1CC(C)(C)CN1Cn1nccc1[N+](=O)[O-] ZINC000840184804 586520418 /nfs/dbraw/zinc/52/04/18/586520418.db2.gz UEIXPZSIPWRGCZ-VIFPVBQESA-N 1 0 238.291 1.869 20 5 BDBDRO C[C@@H](C[NH3+])N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817969640 586855957 /nfs/dbraw/zinc/85/59/57/586855957.db2.gz FQXKAJWAXJNRPS-YUMQZZPRSA-N 1 0 238.291 1.175 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CCc3nc[nH]c3C2)cc1 ZINC000820581137 587056004 /nfs/dbraw/zinc/05/60/04/587056004.db2.gz OBEPTMKXPHUJJJ-UHFFFAOYSA-N 1 0 244.254 1.881 20 5 BDBDRO C[C@H](C[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841060544 587941382 /nfs/dbraw/zinc/94/13/82/587941382.db2.gz ZRPQHARNIWSSPC-SSDOTTSWSA-N 1 0 243.694 1.685 20 5 BDBDRO C[C@@H](C[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841064615 587941472 /nfs/dbraw/zinc/94/14/72/587941472.db2.gz ZRPQHARNIWSSPC-ZETCQYMHSA-N 1 0 243.694 1.685 20 5 BDBDRO [NH3+]CCCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238357 588095652 /nfs/dbraw/zinc/09/56/52/588095652.db2.gz QBCGTLJVYVPBMZ-UHFFFAOYSA-N 1 0 238.203 1.129 20 5 BDBDRO C/C=C/C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863582647 589301688 /nfs/dbraw/zinc/30/16/88/589301688.db2.gz PXMUOHDSXVPIIL-JDGPPOGSSA-N 1 0 236.271 1.794 20 5 BDBDRO C[C@H]([NH3+])CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000863653838 589308183 /nfs/dbraw/zinc/30/81/83/589308183.db2.gz QOIIRHMWXQFKND-XOIDGJRKSA-N 1 0 249.314 1.887 20 5 BDBDRO C[C@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872023076 589856820 /nfs/dbraw/zinc/85/68/20/589856820.db2.gz BXHJGYOGQRDXGC-SFYZADRCSA-N 1 0 242.250 1.765 20 5 BDBDRO C[C@@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1C ZINC000308685630 631353831 /nfs/dbraw/zinc/35/38/31/631353831.db2.gz ZIWKTJNQPHNJRZ-UTLUCORTSA-N 1 0 200.282 1.677 20 5 BDBDRO CC1(C)CCCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000308646520 633783235 /nfs/dbraw/zinc/78/32/35/633783235.db2.gz HWUSUHHYIQJAIO-VIFPVBQESA-N 1 0 200.282 1.822 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000930747531 634084251 /nfs/dbraw/zinc/08/42/51/634084251.db2.gz QTMWHVJSXACJAX-NSHDSACASA-N 1 0 212.293 1.775 20 5 BDBDRO CN(CC(C)(C)C[NH3+])c1ncccc1[N+](=O)[O-] ZINC000093874653 635132750 /nfs/dbraw/zinc/13/27/50/635132750.db2.gz HTUIYDMXFQCKAF-UHFFFAOYSA-N 1 0 238.291 1.411 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H]1CCCC[NH2+]C1 ZINC000899623456 637101765 /nfs/dbraw/zinc/10/17/65/637101765.db2.gz FAADEWXEZTXDDJ-SNVBAGLBSA-N 1 0 238.291 1.489 20 5 BDBDRO C[C@@H]1CCCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000899877187 637146834 /nfs/dbraw/zinc/14/68/34/637146834.db2.gz XCFBVYGJYQDKOA-ZJUUUORDSA-N 1 0 200.282 1.679 20 5 BDBDRO C[C@@H](COc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905056398 637587412 /nfs/dbraw/zinc/58/74/12/637587412.db2.gz ZACCOLISEMKZJQ-JTQLQIEISA-N 1 0 224.260 1.320 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000905066794 637597523 /nfs/dbraw/zinc/59/75/23/637597523.db2.gz SJDKXIPCQQDXPE-UHFFFAOYSA-N 1 0 246.270 1.239 20 5 BDBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNCC[N+](=O)[O-])C1 ZINC000905066084 637600013 /nfs/dbraw/zinc/60/00/13/637600013.db2.gz BTOUQFMGQSQIAT-LLVKDONJSA-N 1 0 243.351 1.363 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1ccccc1Cl ZINC000905066443 637600149 /nfs/dbraw/zinc/60/01/49/637600149.db2.gz QXRJSHCBGYCYSF-UHFFFAOYSA-N 1 0 228.679 1.749 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000905101309 637611976 /nfs/dbraw/zinc/61/19/76/637611976.db2.gz JHWPFNOBRNHSKL-JTQLQIEISA-N 1 0 236.271 1.419 20 5 BDBDRO C[NH+](C)CC[C@H](NCC[N+](=O)[O-])C(C)(C)C ZINC000905119602 637624461 /nfs/dbraw/zinc/62/44/61/637624461.db2.gz IMCBFBVNDNMNMU-JTQLQIEISA-N 1 0 231.340 1.219 20 5 BDBDRO C[C@@]1(c2ccccc2)C[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905135219 637643566 /nfs/dbraw/zinc/64/35/66/637643566.db2.gz JBICYVLJCJYRKX-NEPJUHHUSA-N 1 0 220.272 1.583 20 5 BDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])Oc1cccc(F)c1 ZINC000905133520 637644155 /nfs/dbraw/zinc/64/41/55/637644155.db2.gz FAWSDHLOLJKKIT-VIFPVBQESA-N 1 0 242.250 1.459 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000905189312 637669440 /nfs/dbraw/zinc/66/94/40/637669440.db2.gz HVDTUYJARIMQPX-HLTSFMKQSA-N 1 0 248.373 1.232 20 5 BDBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905192630 637671689 /nfs/dbraw/zinc/67/16/89/637671689.db2.gz WKQOTBRIPQODCA-NXEZZACHSA-N 1 0 230.308 1.446 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000905177873 637685114 /nfs/dbraw/zinc/68/51/14/637685114.db2.gz YENSHPHRYRPTQT-XQQFMLRXSA-N 1 0 232.283 1.439 20 5 BDBDRO C[C@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])CC1 ZINC000905231962 637691741 /nfs/dbraw/zinc/69/17/41/637691741.db2.gz VIVCVTRRJQIFOB-UWVGGRQHSA-N 1 0 200.282 1.822 20 5 BDBDRO CCc1cnccc1C[NH2+]CC[N+](=O)[O-] ZINC000905199478 637693996 /nfs/dbraw/zinc/69/39/96/637693996.db2.gz ARXZRYAXIIROMC-UHFFFAOYSA-N 1 0 209.249 1.010 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C1Cc2ccccc2C1 ZINC000905214803 637699664 /nfs/dbraw/zinc/69/96/64/637699664.db2.gz XITUSBWXEWRIRY-UHFFFAOYSA-N 1 0 206.245 1.020 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1c(F)cccc1F ZINC000905243540 637702782 /nfs/dbraw/zinc/70/27/82/637702782.db2.gz JYBKJBDDNFDIHR-GMSGAONNSA-N 1 0 242.225 1.687 20 5 BDBDRO COCC1(C[NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000905262823 637716899 /nfs/dbraw/zinc/71/68/99/637716899.db2.gz JXZHRVXYMLMDMG-UHFFFAOYSA-N 1 0 230.308 1.450 20 5 BDBDRO Cc1csc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905271511 637730192 /nfs/dbraw/zinc/73/01/92/637730192.db2.gz DKWQSAKDHKZTSG-UHFFFAOYSA-N 1 0 200.263 1.423 20 5 BDBDRO CC(C)[C@H]1C[C@@H](C[NH2+]CC[N+](=O)[O-])CCO1 ZINC000905277994 637734591 /nfs/dbraw/zinc/73/45/91/637734591.db2.gz DOPWSQDDBXXDCS-WDEREUQCSA-N 1 0 230.308 1.304 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CC12CCSCC2 ZINC000905290935 637741790 /nfs/dbraw/zinc/74/17/90/637741790.db2.gz VUYKSFYSJGAAHC-VIFPVBQESA-N 1 0 230.333 1.386 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000905383067 637783874 /nfs/dbraw/zinc/78/38/74/637783874.db2.gz RGQFXWFFQZRAAS-ZDUSSCGKSA-N 1 0 249.314 1.127 20 5 BDBDRO CO[C@H](C[NH2+]CC[N+](=O)[O-])C1CCCC1 ZINC000905382834 637784913 /nfs/dbraw/zinc/78/49/13/637784913.db2.gz RMKQICQQAKELTL-SNVBAGLBSA-N 1 0 216.281 1.058 20 5 BDBDRO CCC[C@H](C[NH2+]CC[N+](=O)[O-])OCC ZINC000905391498 637786999 /nfs/dbraw/zinc/78/69/99/637786999.db2.gz VCNAGPUBFPGYBC-SECBINFHSA-N 1 0 204.270 1.058 20 5 BDBDRO CCc1ccc([C@@H](O)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905366754 637789282 /nfs/dbraw/zinc/78/92/82/637789282.db2.gz HVAVDFSOGXWLRO-LBPRGKRZSA-N 1 0 238.287 1.149 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])C(C)(F)F ZINC000905406474 637797202 /nfs/dbraw/zinc/79/72/02/637797202.db2.gz ZBDPOBQOOCAHAV-UHFFFAOYSA-N 1 0 210.224 1.534 20 5 BDBDRO Cc1ccc(CN[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000906508280 638178782 /nfs/dbraw/zinc/17/87/82/638178782.db2.gz KHJSJPMGWBBPFC-XYPYZODXSA-N 1 0 235.287 1.483 20 5 BDBDRO C[N@@H+]1CC[C@H](NCC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000930356922 639728090 /nfs/dbraw/zinc/72/80/90/639728090.db2.gz LJBNILKZKVULEA-STQMWFEESA-N 1 0 249.314 1.298 20 5 BDBDRO CC[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648929 639798127 /nfs/dbraw/zinc/79/81/27/639798127.db2.gz CZLBOPQLULHMDE-LLVKDONJSA-N 1 0 238.287 1.764 20 5 BDBDRO C[C@H]1CN(C)c2ccccc2C[N@@H+]1CC[N+](=O)[O-] ZINC000931106052 640067427 /nfs/dbraw/zinc/06/74/27/640067427.db2.gz VLHDEBJLKWZJSI-NSHDSACASA-N 1 0 249.314 1.604 20 5 BDBDRO Cc1c(CNC(=[NH2+])NC2CC2)cccc1[N+](=O)[O-] ZINC000231865044 641209482 /nfs/dbraw/zinc/20/94/82/641209482.db2.gz MFUNOEFHEFTRCI-UHFFFAOYSA-N 1 0 248.286 1.680 20 5 BDBDRO CC[C@@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000083370118 643440867 /nfs/dbraw/zinc/44/08/67/643440867.db2.gz YWCNZVDYTBQJBG-JTQLQIEISA-N 1 0 242.250 1.594 20 5 BDBDRO Cc1c(C[NH2+]CC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000085990668 644453894 /nfs/dbraw/zinc/45/38/94/644453894.db2.gz VQPNZTNRGFMELI-VIFPVBQESA-N 1 0 238.287 1.764 20 5 BDBDRO O=[N+]([O-])CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929687094 646244478 /nfs/dbraw/zinc/24/44/78/646244478.db2.gz KCYPRQGLOCFIAD-GFCCVEGCSA-N 1 0 241.335 1.213 20 5 BDBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC[N+](=O)[O-])C1 ZINC000929749388 646280685 /nfs/dbraw/zinc/28/06/85/646280685.db2.gz KNQFJTJPOICINE-NXEZZACHSA-N 1 0 232.349 1.869 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000905604885 711812987 /nfs/dbraw/zinc/81/29/87/711812987.db2.gz DKRUGSCRYXVGHL-SECBINFHSA-N 1 0 230.333 1.671 20 5 BDBDRO C[C@H]1CCC[C@@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000899872423 711803758 /nfs/dbraw/zinc/80/37/58/711803758.db2.gz AWYDDFJMHRMADC-VHSXEESVSA-N 1 0 200.282 1.679 20 5 BDBDRO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000712532948 712442107 /nfs/dbraw/zinc/44/21/07/712442107.db2.gz YLAFRACREBGCEI-MFKMUULPSA-N 1 0 249.314 1.950 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2C[C@H](O)C2)c1 ZINC000720946126 712881631 /nfs/dbraw/zinc/88/16/31/712881631.db2.gz DMWOBHYCGMOBQE-UMSPYCQHSA-N 1 0 236.271 1.455 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(N)nc1 ZINC001226780319 963348562 /nfs/dbraw/zinc/34/85/62/963348562.db2.gz ZGEXLEZDZYRGEN-VIFPVBQESA-N 1 0 210.301 1.137 20 5 BDBDRO CO[C@@H](C)CO[C@@H](C)COCCC[N+](C)(C)C ZINC001224620718 964811618 /nfs/dbraw/zinc/81/16/18/964811618.db2.gz BPJIGAXEZNPZEG-STQMWFEESA-N 1 0 248.387 1.539 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001168956841 969307074 /nfs/dbraw/zinc/30/70/74/969307074.db2.gz FZNMXRDIKNQWSY-GHMZBOCLSA-N 1 0 212.293 1.822 20 5 BDBDRO CC(=O)C(C)(C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168963182 969316605 /nfs/dbraw/zinc/31/66/05/969316605.db2.gz OMEKEQUHMRLZLH-UWVGGRQHSA-N 1 0 228.292 1.389 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(CO)CCC2)C1 ZINC001168965990 969319380 /nfs/dbraw/zinc/31/93/80/969319380.db2.gz FKBIPISKACWEFT-MNOVXSKESA-N 1 0 242.319 1.184 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001168967380 969320915 /nfs/dbraw/zinc/32/09/15/969320915.db2.gz PJVAFOSVPVQSKT-IJLUTSLNSA-N 1 0 242.319 1.591 20 5 BDBDRO CCC[C@@H](CCO)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168996508 969327751 /nfs/dbraw/zinc/32/77/51/969327751.db2.gz VHRNXRSXWVWHGU-WOPDTQHZSA-N 1 0 244.335 1.573 20 5 BDBDRO COC1(C)C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169005998 969330185 /nfs/dbraw/zinc/33/01/85/969330185.db2.gz FBYSSLLCIGWNDT-UWVGGRQHSA-N 1 0 228.292 1.153 20 5 BDBDRO CCC[N@H+](CCOC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008187 969333491 /nfs/dbraw/zinc/33/34/91/969333491.db2.gz RUARSUFJWKIFMS-NWDGAFQWSA-N 1 0 244.335 1.790 20 5 BDBDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCO1 ZINC001169009709 969335424 /nfs/dbraw/zinc/33/54/24/969335424.db2.gz XJKOXJIOCXLYCM-WOPDTQHZSA-N 1 0 242.319 1.543 20 5 BDBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CC[N+](=O)[O-] ZINC001335222812 976889065 /nfs/dbraw/zinc/88/90/65/976889065.db2.gz SCWMLWKWMZLFDG-JQWIXIFHSA-N 1 0 238.287 1.017 20 5 BDBDRO C[C@@H](C[NH+](C)C)OCc1ccc([N+](=O)[O-])nc1 ZINC001224109626 973452313 /nfs/dbraw/zinc/45/23/13/973452313.db2.gz VLGIYRQDVBJGSZ-VIFPVBQESA-N 1 0 239.275 1.457 20 5 BDBDRO CC[C@@H](COCCC[N+](C)(C)C)OC ZINC001224620835 973803076 /nfs/dbraw/zinc/80/30/76/973803076.db2.gz GHGLJBRWWTYVIK-NSHDSACASA-N 1 0 204.334 1.524 20 5 BDBDRO C[N+](C)(C)CCCOC1CC(F)(F)C1 ZINC001224624526 973807756 /nfs/dbraw/zinc/80/77/56/973807756.db2.gz XAQYEIREBBXPKS-UHFFFAOYSA-N 1 0 208.272 1.897 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OC[C@H]1CC(C)(C)O1 ZINC001224646854 973824394 /nfs/dbraw/zinc/82/43/94/973824394.db2.gz ZXNCXRBWHRHTRQ-GHMZBOCLSA-N 1 0 216.345 1.665 20 5 BDBDRO C[N+](C)(C)CCO[C@H]1CCCC2(C1)OCCO2 ZINC001224773062 973938047 /nfs/dbraw/zinc/93/80/47/973938047.db2.gz DAVGEFGTMLQKMA-LBPRGKRZSA-N 1 0 244.355 1.395 20 5 BDBDRO COCCOCCCO[C@H](C)C[N+](C)(C)C ZINC001224897929 974064826 /nfs/dbraw/zinc/06/48/26/974064826.db2.gz KCGMILVQEYTHBE-GFCCVEGCSA-N 1 0 234.360 1.151 20 5 BDBDRO COCCOCCCO[C@@H](C)C[N+](C)(C)C ZINC001224897930 974065105 /nfs/dbraw/zinc/06/51/05/974065105.db2.gz KCGMILVQEYTHBE-LBPRGKRZSA-N 1 0 234.360 1.151 20 5 BDBDRO O=C1CC(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001167340942 957796727 /nfs/dbraw/zinc/79/67/27/957796727.db2.gz MQFKLGMKDKOICV-UHFFFAOYSA-N 1 0 247.254 1.341 20 5 BDBDRO COc1ccc([N+](=O)[O-])nc1-n1cccc1C[NH3+] ZINC001167589742 958976907 /nfs/dbraw/zinc/97/69/07/958976907.db2.gz LCWHGEJGLQXGLJ-UHFFFAOYSA-N 1 0 248.242 1.248 20 5 BDBDRO C[NH2+]CCNc1cc(F)c(OC)cc1[N+](=O)[O-] ZINC001167723924 960232076 /nfs/dbraw/zinc/23/20/76/960232076.db2.gz FUQROEZYDJFOLL-UHFFFAOYSA-N 1 0 243.238 1.374 20 5 BDBDRO C[NH2+]CCNc1cc([N+](=O)[O-])c(C)cc1OC ZINC001167724808 960239027 /nfs/dbraw/zinc/23/90/27/960239027.db2.gz VEIPSRCUKWAJPE-UHFFFAOYSA-N 1 0 239.275 1.543 20 5 BDBDRO Cc1cc(CO[C@@H](C)C[N+](C)(C)C)on1 ZINC001222450190 972493232 /nfs/dbraw/zinc/49/32/32/972493232.db2.gz VMDCVZIFCYVJRH-JTQLQIEISA-N 1 0 213.301 1.594 20 5 BDBDRO O=[N+]([O-])c1cnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc1 ZINC000711666736 962745101 /nfs/dbraw/zinc/74/51/01/962745101.db2.gz RRZOVVZJOBFRAD-GXSJLCMTSA-N 1 0 249.274 1.081 20 5 BDBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2cnc(C[NH3+])c2)n1 ZINC001154910256 962896320 /nfs/dbraw/zinc/89/63/20/962896320.db2.gz ZGIABGFCPDACSY-UHFFFAOYSA-N 1 0 247.258 1.251 20 5 BDBDRO O=[N+]([O-])c1cccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001155583583 963118834 /nfs/dbraw/zinc/11/88/34/963118834.db2.gz OMVVEQYQGNSEDA-UTLUCORTSA-N 1 0 248.286 1.400 20 5 BDBDRO Cc1nc(N(C)C(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000714242693 963635871 /nfs/dbraw/zinc/63/58/71/963635871.db2.gz DNKWKYIGYUROEJ-UHFFFAOYSA-N 1 0 238.291 1.472 20 5 BDBDRO CCC1(Nc2ncc([N+](=O)[O-])cc2F)C[NH2+]C1 ZINC001157779425 963722743 /nfs/dbraw/zinc/72/27/43/963722743.db2.gz VROMTFJUHZWRGS-UHFFFAOYSA-N 1 0 240.238 1.293 20 5 BDBDRO CCC1(Nc2ccc([N+](=O)[O-])c(C)n2)C[NH2+]C1 ZINC001157776989 963723085 /nfs/dbraw/zinc/72/30/85/963723085.db2.gz DIVNMHZSJZDIAR-UHFFFAOYSA-N 1 0 236.275 1.462 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)nc1F ZINC001228535223 963848911 /nfs/dbraw/zinc/84/89/11/963848911.db2.gz VENLZOSOIGMRLB-QMMMGPOBSA-N 1 0 231.266 1.833 20 5 BDBDRO Cc1cnc(N2CC[N@@H+]3CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001158425895 963867246 /nfs/dbraw/zinc/86/72/46/963867246.db2.gz TUFFJAPFKHFOQR-JTQLQIEISA-N 1 0 248.286 1.193 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC2(C1)C[NH+](C)C2 ZINC001158859846 963943918 /nfs/dbraw/zinc/94/39/18/963943918.db2.gz OWCUICVWHOPNSV-UHFFFAOYSA-N 1 0 248.286 1.050 20 5 BDBDRO COC(CCO[C@@H](C)C[N+](C)(C)C)OC ZINC001224350312 964561102 /nfs/dbraw/zinc/56/11/02/964561102.db2.gz MKMXMBRZCHONNX-JTQLQIEISA-N 1 0 220.333 1.107 20 5 BDBDRO CO[C@H]1CCCC[C@@H]1OCC[N+](C)(C)C ZINC001224774355 964937563 /nfs/dbraw/zinc/93/75/63/964937563.db2.gz RCWXXNJXBOAPLY-RYUDHWBXSA-N 1 0 216.345 1.667 20 5 BDBDRO C[NH2+]CCN(C)c1cc(Cl)ncc1[N+](=O)[O-] ZINC001163719271 965532091 /nfs/dbraw/zinc/53/20/91/965532091.db2.gz VLFONJKCESYJIA-UHFFFAOYSA-N 1 0 244.682 1.299 20 5 BDBDRO C[C@H]1COC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000699765295 966076716 /nfs/dbraw/zinc/07/67/16/966076716.db2.gz YIRRAHXZHFZGDG-IONNQARKSA-N 1 0 242.300 1.781 20 5 BDBDRO O=[N+]([O-])c1ccc(Nc2cc[nH+]c(CO)c2)cn1 ZINC001203568591 966695145 /nfs/dbraw/zinc/69/51/45/966695145.db2.gz FUJBDKLNUVSZNT-UHFFFAOYSA-N 1 0 246.226 1.621 20 5 BDBDRO CCOC(=O)CCCCO[C@@H](C)C[N+](C)(C)C ZINC001205158205 967402173 /nfs/dbraw/zinc/40/21/73/967402173.db2.gz 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969320528 /nfs/dbraw/zinc/32/05/28/969320528.db2.gz XKLJNZOJDPKHOK-UWVGGRQHSA-N 1 0 212.293 1.964 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccncn2)C1 ZINC001168968445 969320988 /nfs/dbraw/zinc/32/09/88/969320988.db2.gz ZENOTCDQBOKSKU-NXEZZACHSA-N 1 0 236.275 1.012 20 5 BDBDRO COCC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168971824 969323787 /nfs/dbraw/zinc/32/37/87/969323787.db2.gz LKPVXOWJYRFPLC-WDEREUQCSA-N 1 0 242.319 1.591 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cnoc2)C1 ZINC001168975588 969324579 /nfs/dbraw/zinc/32/45/79/969324579.db2.gz WIWUMURQEFVJRQ-WPRPVWTQSA-N 1 0 225.248 1.210 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cnoc2)C1 ZINC001168998887 969325985 /nfs/dbraw/zinc/32/59/85/969325985.db2.gz QTRSTGBSWAETGE-MWLCHTKSSA-N 1 0 239.275 1.252 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC23CCC3)C1 ZINC001169000638 969326616 /nfs/dbraw/zinc/32/66/16/969326616.db2.gz YIBDVBIUDLPNKT-OUAUKWLOSA-N 1 0 224.304 1.964 20 5 BDBDRO C[N@H+](Cc1cccnc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005900 969328961 /nfs/dbraw/zinc/32/89/61/969328961.db2.gz DFVOWDDENRIDIX-DGCLKSJQSA-N 1 0 249.314 1.959 20 5 BDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006284 969329487 /nfs/dbraw/zinc/32/94/87/969329487.db2.gz GONVSUYTUKXCLB-RHYQMDGZSA-N 1 0 242.319 1.135 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC3(C2)CCOC3)C1 ZINC001169007075 969330943 /nfs/dbraw/zinc/33/09/43/969330943.db2.gz KREIUFOAIZNXPT-QWRGUYRKSA-N 1 0 240.303 1.154 20 5 BDBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCCO1 ZINC001169007312 969331065 /nfs/dbraw/zinc/33/10/65/969331065.db2.gz MMAZHALPSIWONB-USZNOCQGSA-N 1 0 242.319 1.589 20 5 BDBDRO C[N@H+](Cc1ccccn1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009841 969332997 /nfs/dbraw/zinc/33/29/97/969332997.db2.gz YMCHWKGCABALLR-DGCLKSJQSA-N 1 0 249.314 1.959 20 5 BDBDRO C[C@@H]1C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H](C)O1 ZINC001169009672 969334358 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C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](C)CO1 ZINC001169042459 969361601 /nfs/dbraw/zinc/36/16/01/969361601.db2.gz DOSKTSLADQMSIV-WHOHXGKFSA-N 1 0 242.319 1.541 20 5 BDBDRO C[N@H+](Cc1ccno1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046892 969363875 /nfs/dbraw/zinc/36/38/75/969363875.db2.gz OFOZNKKQHSOUPC-UWVGGRQHSA-N 1 0 239.275 1.552 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]23CCOC3)C1 ZINC001169049585 969364680 /nfs/dbraw/zinc/36/46/80/969364680.db2.gz WOIGQEBQMDLFGE-WOPDTQHZSA-N 1 0 240.303 1.297 20 5 BDBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCCOC1 ZINC001169057897 969370760 /nfs/dbraw/zinc/37/07/60/969370760.db2.gz YTTXYKPSPXQEGK-QJPTWQEYSA-N 1 0 242.319 1.543 20 5 BDBDRO C[N@H+](CCF)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056963 969371762 /nfs/dbraw/zinc/37/17/62/969371762.db2.gz UJICLEBUUMMSCY-IUCAKERBSA-N 1 0 204.245 1.333 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@@H]2CF)C1 ZINC001169054656 969372520 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C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(C)C1 ZINC001173215403 975069346 /nfs/dbraw/zinc/06/93/46/975069346.db2.gz WGEZYZORZGTNSE-JTQLQIEISA-N 1 0 249.314 1.429 20 5 BDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1N ZINC001173234501 975076668 /nfs/dbraw/zinc/07/66/68/975076668.db2.gz PDCFYNLEJJMHAX-GGZOMVNGSA-N 1 0 235.287 1.215 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncncc1Cl ZINC001226985139 975206812 /nfs/dbraw/zinc/20/68/12/975206812.db2.gz HQPFPBUGQAGXFJ-QMMMGPOBSA-N 1 0 230.719 1.604 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)ccc1O ZINC001227404605 975382873 /nfs/dbraw/zinc/38/28/73/975382873.db2.gz OIXVIPFUDQMKEX-SECBINFHSA-O 1 0 226.296 1.571 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccsn1 ZINC001227734486 975662748 /nfs/dbraw/zinc/66/27/48/975662748.db2.gz NILOKVBRBFBQMT-QMMMGPOBSA-N 1 0 201.315 1.617 20 5 BDBDRO COc1ncccc1O[C@@H](C)C[N+](C)(C)C ZINC001228591560 976365074 /nfs/dbraw/zinc/36/50/74/976365074.db2.gz UHCKGKKXUJQXIG-JTQLQIEISA-N 1 0 225.312 1.564 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2nc[nH]c21 ZINC001228737387 976472457 /nfs/dbraw/zinc/47/24/57/976472457.db2.gz UQYSEHCOQXFKJP-SECBINFHSA-N 1 0 235.311 1.431 20 5 BDBDRO COc1cc(O)cc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001230708433 977305062 /nfs/dbraw/zinc/30/50/62/977305062.db2.gz DIBROAZVNPRICU-SNVBAGLBSA-O 1 0 240.323 1.874 20 5 BDBDRO Cc1nc(Cl)ncc1O[C@H](C)C[N+](C)(C)C ZINC001231032792 977437946 /nfs/dbraw/zinc/43/79/46/977437946.db2.gz USQHONNOCWXLHR-MRVPVSSYSA-N 1 0 244.746 1.912 20 5 BDBDRO Cc1cc(O)c(O[C@@H](C)C[N+](C)(C)C)c(O)c1 ZINC001231343678 977572091 /nfs/dbraw/zinc/57/20/91/977572091.db2.gz QUZCJSMRBUVTKF-JTQLQIEISA-O 1 0 240.323 1.880 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001176927329 978247624 /nfs/dbraw/zinc/24/76/24/978247624.db2.gz QWCJKAUPVIVDBR-WDEREUQCSA-N 1 0 228.292 1.297 20 5 BDBDRO O=[N+]([O-])CCNCc1ccc(Br)o1 ZINC001337852649 978527234 /nfs/dbraw/zinc/52/72/34/978527234.db2.gz BOFQAOSJGFKASS-UHFFFAOYSA-N 1 0 249.064 1.408 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC001338507088 978699989 /nfs/dbraw/zinc/69/99/89/978699989.db2.gz VTHPQMXQUCMBSY-NSHDSACASA-N 1 0 228.292 1.058 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC001338507087 978700518 /nfs/dbraw/zinc/70/05/18/978700518.db2.gz VTHPQMXQUCMBSY-LLVKDONJSA-N 1 0 228.292 1.058 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2n[nH]cc2n1 ZINC001234659461 978894119 /nfs/dbraw/zinc/89/41/19/978894119.db2.gz SZCITZVUCCUPPN-VIFPVBQESA-N 1 0 235.311 1.431 20 5 BDBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC[N+](=O)[O-])C1 ZINC001341323727 979336631 /nfs/dbraw/zinc/33/66/31/979336631.db2.gz RZXAWORGVBSWOA-OPRDCNLKSA-N 1 0 200.282 1.630 20 5 BDBDRO Cc1cc(NC(=O)C[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC001343776742 980235662 /nfs/dbraw/zinc/23/56/62/980235662.db2.gz NYYFDBUUTSDXCJ-QMMMGPOBSA-N 1 0 237.259 1.579 20 5 BDBDRO NC1=CCN(c2ccc([N+](=O)[O-])cc2Cl)[NH2+]1 ZINC001187587125 980532154 /nfs/dbraw/zinc/53/21/54/980532154.db2.gz WZWXKGWVBHUREY-UHFFFAOYSA-N 1 0 240.650 1.373 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC001354585745 983324003 /nfs/dbraw/zinc/32/40/03/983324003.db2.gz YBXBHERMTXBTHS-GFCCVEGCSA-N 1 0 235.287 1.223 20 5 BDBDRO C[C@@H](C[NH3+])Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001579398972 985876340 /nfs/dbraw/zinc/87/63/40/985876340.db2.gz SZLJRFLSSHSMJI-QMMMGPOBSA-N 1 0 246.270 1.902 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@@]12CCCOC2 ZINC001460980641 985979353 /nfs/dbraw/zinc/97/93/53/985979353.db2.gz SQZLSUVRQHSADB-NSHDSACASA-N 1 0 228.292 1.298 20 5 BDBDRO [NH3+]CC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001580213681 986659853 /nfs/dbraw/zinc/65/98/53/986659853.db2.gz MXPHMYAQICUCMT-UHFFFAOYSA-N 1 0 246.226 1.040 20 5 BDBDRO C[C@@H]1CCNC[C@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246102515 987426474 /nfs/dbraw/zinc/42/64/74/987426474.db2.gz PQCHOEPQKSYVSV-NOOOWODRSA-N 1 0 241.335 1.019 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001119668818 989314882 /nfs/dbraw/zinc/31/48/82/989314882.db2.gz XHZZEDOUKSPVPS-QWRGUYRKSA-N 1 0 212.293 1.775 20 5 BDBDRO CC1(C)CC2(CC([NH2+]CC[N+](=O)[O-])C2)CO1 ZINC001120525796 989695004 /nfs/dbraw/zinc/69/50/04/989695004.db2.gz VBKNSZJKGRLISY-UHFFFAOYSA-N 1 0 228.292 1.200 20 5 BDBDRO C[C@@H](NC(=O)C1([NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC001122166051 990274339 /nfs/dbraw/zinc/27/43/39/990274339.db2.gz GLGYPDZEUZYMDR-MRVPVSSYSA-N 1 0 249.270 1.263 20 5 BDBDRO C[C@H]([NH3+])CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261492547 992340386 /nfs/dbraw/zinc/34/03/86/992340386.db2.gz JSMHKESUHQZNEM-QMMMGPOBSA-N 1 0 221.260 1.258 20 5 BDBDRO CCO[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C1(CC)CC ZINC001262262448 992827870 /nfs/dbraw/zinc/82/78/70/992827870.db2.gz OMELLJHGCQDTRC-GHMZBOCLSA-N 1 0 244.335 1.837 20 5 BDBDRO C[C@H](NC(=O)CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001263197184 993159359 /nfs/dbraw/zinc/15/93/59/993159359.db2.gz OLOKNIPQPQZQDA-QMMMGPOBSA-N 1 0 237.259 1.121 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC001334203376 994576392 /nfs/dbraw/zinc/57/63/92/994576392.db2.gz XCUAXVYDRIZESX-GMTAPVOTSA-N 1 0 240.303 1.200 20 5 BDBDRO Cc1cc(N2CC[C@H]([NH3+])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000310209180 178119802 /nfs/dbraw/zinc/11/98/02/178119802.db2.gz UMWIFJNEMOVNOA-ONGXEEELSA-N 1 0 235.287 1.829 20 5 BDBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000086466934 398209624 /nfs/dbraw/zinc/20/96/24/398209624.db2.gz DYASVIOJJHHVHT-GHMZBOCLSA-N 1 0 249.314 1.777 20 5 BDBDRO Cc1cc(NC[C@@H](C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000092026846 178164511 /nfs/dbraw/zinc/16/45/11/178164511.db2.gz WRTVOLWAJQJCNE-SECBINFHSA-N 1 0 238.291 1.660 20 5 BDBDRO C[NH+]1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000037267616 361801525 /nfs/dbraw/zinc/80/15/25/361801525.db2.gz FVLGCBPSDWFMRZ-UHFFFAOYSA-N 1 0 236.275 1.496 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)C1 ZINC000183271788 178271284 /nfs/dbraw/zinc/27/12/84/178271284.db2.gz KWCXPWJJFVVADO-LBPRGKRZSA-N 1 0 236.271 1.470 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1O[C@H]1CC[NH2+]C1 ZINC000051868100 178273275 /nfs/dbraw/zinc/27/32/75/178273275.db2.gz ZWOVWTNFTSZAHI-JTQLQIEISA-N 1 0 222.244 1.644 20 5 BDBDRO Cc1ccc(C[N@@H+](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000130830197 398283160 /nfs/dbraw/zinc/28/31/60/398283160.db2.gz IFXHZLBLIOEGBD-SNVBAGLBSA-N 1 0 238.287 1.716 20 5 BDBDRO C[C@H](CC[NH+](C)C)Nc1ncccc1[N+](=O)[O-] ZINC000049558634 343602770 /nfs/dbraw/zinc/60/27/70/343602770.db2.gz NKSUOUDPCVTZTL-SECBINFHSA-N 1 0 238.291 1.742 20 5 BDBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000023172733 344132096 /nfs/dbraw/zinc/13/20/96/344132096.db2.gz MKLGVBWSKFIZSJ-UHFFFAOYSA-N 1 0 249.270 1.628 20 5 BDBDRO CN(C)c1ccc(Cn2cnc([N+](=O)[O-])c2)cn1 ZINC000600514404 344252566 /nfs/dbraw/zinc/25/25/66/344252566.db2.gz LFMQLPJYSYTBOP-UHFFFAOYSA-N 1 0 247.258 1.301 20 5 BDBDRO C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000600713658 344362189 /nfs/dbraw/zinc/36/21/89/344362189.db2.gz KHMNWANSNWTESA-OUJBWJOFSA-N 1 0 249.314 1.996 20 5 BDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000611337032 344477090 /nfs/dbraw/zinc/47/70/90/344477090.db2.gz VZWVWPVKYPPVLS-LLVKDONJSA-N 1 0 238.291 1.570 20 5 BDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000611337037 344477123 /nfs/dbraw/zinc/47/71/23/344477123.db2.gz VZWVWPVKYPPVLS-NSHDSACASA-N 1 0 238.291 1.570 20 5 BDBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000092950970 344484119 /nfs/dbraw/zinc/48/41/19/344484119.db2.gz HYLWILKCLKOUJC-GZMMTYOYSA-N 1 0 249.270 1.531 20 5 BDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000092950973 344484908 /nfs/dbraw/zinc/48/49/08/344484908.db2.gz HYLWILKCLKOUJC-KWQFWETISA-N 1 0 249.270 1.531 20 5 BDBDRO Cc1ccc(N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000052093884 178773288 /nfs/dbraw/zinc/77/32/88/178773288.db2.gz BVENHEOFONMXBY-SECBINFHSA-N 1 0 221.260 1.677 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000044411770 345058856 /nfs/dbraw/zinc/05/88/56/345058856.db2.gz DSHXXWCDRQAAOL-VIFPVBQESA-N 1 0 248.286 1.638 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]3CCC2CC3)cc1 ZINC000147490369 345710940 /nfs/dbraw/zinc/71/09/40/345710940.db2.gz YOOPBQGBDWNRRJ-UHFFFAOYSA-N 1 0 247.298 1.879 20 5 BDBDRO O=[N+]([O-])c1cccc(CN2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000601327473 345765977 /nfs/dbraw/zinc/76/59/77/345765977.db2.gz RZNUFHAFCCMCLZ-JQWIXIFHSA-N 1 0 233.271 1.141 20 5 BDBDRO C[C@H](c1nc(CN)no1)c1cccc([N+](=O)[O-])c1 ZINC000580325288 347093488 /nfs/dbraw/zinc/09/34/88/347093488.db2.gz TWSRLKQOYYBBFL-ZETCQYMHSA-N 1 0 248.242 1.588 20 5 BDBDRO Cc1cccc(N(C)CC[NH3+])c1[N+](=O)[O-] ZINC000234282752 179115020 /nfs/dbraw/zinc/11/50/20/179115020.db2.gz FFUCWTQGTUVMRQ-UHFFFAOYSA-N 1 0 209.249 1.298 20 5 BDBDRO Cc1cccc(NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000218823048 179144831 /nfs/dbraw/zinc/14/48/31/179144831.db2.gz VVSIJHPETPVRDP-UHFFFAOYSA-N 1 0 223.276 1.877 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235644838 179206950 /nfs/dbraw/zinc/20/69/50/179206950.db2.gz ZNGPGBHYYKVSCD-UWVGGRQHSA-N 1 0 235.287 1.687 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000401650335 347483469 /nfs/dbraw/zinc/48/34/69/347483469.db2.gz PEEXQRJVKRDTBW-CMPLNLGQSA-N 1 0 249.314 1.682 20 5 BDBDRO C[N@@H+]1CC[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]21 ZINC000590719032 347501004 /nfs/dbraw/zinc/50/10/04/347501004.db2.gz BYRKYKIFJWAQHO-KOLCDFICSA-N 1 0 248.286 1.130 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591436941 347660471 /nfs/dbraw/zinc/66/04/71/347660471.db2.gz DHZNNPXCFZKGLG-QWRGUYRKSA-N 1 0 247.298 1.783 20 5 BDBDRO Cc1nn(CC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592167969 347746494 /nfs/dbraw/zinc/74/64/94/347746494.db2.gz QYLVDMZNSWMXMY-VIFPVBQESA-N 1 0 224.264 1.099 20 5 BDBDRO CN(CCC[NH3+])Cc1c(F)cccc1[N+](=O)[O-] ZINC000592473560 347790877 /nfs/dbraw/zinc/79/08/77/347790877.db2.gz BBNZRPSGJLLRCT-UHFFFAOYSA-N 1 0 241.266 1.515 20 5 BDBDRO C[C@H](CCO)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000593110389 347861079 /nfs/dbraw/zinc/86/10/79/347861079.db2.gz WKMOHKOKENEYNY-SNVBAGLBSA-N 1 0 238.287 1.798 20 5 BDBDRO C[C@H]([NH2+]C/C=C/CO)c1cccc([N+](=O)[O-])c1 ZINC000595073203 348188816 /nfs/dbraw/zinc/18/88/16/348188816.db2.gz SZXGTYPUNLCOHV-PBKGFPTLSA-N 1 0 236.271 1.794 20 5 BDBDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595101328 348195149 /nfs/dbraw/zinc/19/51/49/348195149.db2.gz DJWIBYWHJNJKNF-HLUHBDAQSA-N 1 0 236.271 1.769 20 5 BDBDRO C[NH+](C)CCSc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596157018 348453461 /nfs/dbraw/zinc/45/34/61/348453461.db2.gz WPFIBLSBIVHQSZ-UHFFFAOYSA-N 1 0 243.288 1.349 20 5 BDBDRO C[C@H](CCNc1cccnc1[N+](=O)[O-])[NH+](C)C ZINC000596431908 348545462 /nfs/dbraw/zinc/54/54/62/348545462.db2.gz ORLBBUHOFXJNNP-SECBINFHSA-N 1 0 238.291 1.742 20 5 BDBDRO C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1nccn1C ZINC000596544819 348584421 /nfs/dbraw/zinc/58/44/21/348584421.db2.gz UNKPPHVCZLMCPU-ZETCQYMHSA-N 1 0 248.246 1.291 20 5 BDBDRO C[NH2+]C[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596655368 348599495 /nfs/dbraw/zinc/59/94/95/348599495.db2.gz VZNOFPIXYFBCFV-NXEZZACHSA-N 1 0 237.303 1.853 20 5 BDBDRO CCN(CC[NH3+])Cc1csc([N+](=O)[O-])c1 ZINC000300786892 349322308 /nfs/dbraw/zinc/32/23/08/349322308.db2.gz GRKPZCRPZQTXRO-UHFFFAOYSA-N 1 0 229.305 1.437 20 5 BDBDRO C[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CO1 ZINC000402206862 350043889 /nfs/dbraw/zinc/04/38/89/350043889.db2.gz IBMDPUDDEMBKHC-IONNQARKSA-N 1 0 242.300 1.923 20 5 BDBDRO C[C@@H]1C[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350086689 350315619 /nfs/dbraw/zinc/31/56/19/350315619.db2.gz UFHQMQRXLSEPIC-ZJUUUORDSA-N 1 0 238.291 1.522 20 5 BDBDRO C[C@@H](O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000086013990 350857639 /nfs/dbraw/zinc/85/76/39/350857639.db2.gz LASFBDSMVBRUCV-SNVBAGLBSA-N 1 0 238.287 1.498 20 5 BDBDRO C[NH2+][C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000052395597 350994871 /nfs/dbraw/zinc/99/48/71/350994871.db2.gz STVKLMYSDKDCGC-QMMMGPOBSA-N 1 0 237.259 1.450 20 5 BDBDRO C[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000052395572 350995003 /nfs/dbraw/zinc/99/50/03/350995003.db2.gz YEIKBYSGLWAZQG-QMMMGPOBSA-N 1 0 237.259 1.450 20 5 BDBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000386898600 363059004 /nfs/dbraw/zinc/05/90/04/363059004.db2.gz OKQWXDAODNTXJF-BXKDBHETSA-N 1 0 238.287 1.844 20 5 BDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC2)c1 ZINC000269654041 187509214 /nfs/dbraw/zinc/50/92/14/187509214.db2.gz NLHICODLSKDBMS-LLVKDONJSA-N 1 0 222.244 1.334 20 5 BDBDRO C[C@H]1C[N@H+](C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000353603119 188061602 /nfs/dbraw/zinc/06/16/02/188061602.db2.gz FVQJOGPLCPHRER-NSHDSACASA-N 1 0 249.314 1.731 20 5 BDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCCCN3)nc2c1 ZINC000295737734 188097285 /nfs/dbraw/zinc/09/72/85/188097285.db2.gz XNSNCNORDNQZBC-UHFFFAOYSA-N 1 0 247.258 1.576 20 5 BDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCCC2)c1 ZINC000062351289 188128836 /nfs/dbraw/zinc/12/88/36/188128836.db2.gz SBBQLVKQWHPQGY-LBPRGKRZSA-N 1 0 236.271 1.724 20 5 BDBDRO CC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413077366 191354185 /nfs/dbraw/zinc/35/41/85/191354185.db2.gz AORFRIMTQUJUSM-UHFFFAOYSA-N 1 0 242.254 1.493 20 5 BDBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000035149286 355852905 /nfs/dbraw/zinc/85/29/05/355852905.db2.gz BDYUBJBRMAUCNX-HTQZYQBOSA-N 1 0 237.259 1.119 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH2+]CC1 ZINC000420265067 192192513 /nfs/dbraw/zinc/19/25/13/192192513.db2.gz BAHNRHVFNZEAEG-LLVKDONJSA-N 1 0 249.314 1.869 20 5 BDBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000384079564 356241155 /nfs/dbraw/zinc/24/11/55/356241155.db2.gz SOSWOVOWDPPZKN-ZETCQYMHSA-N 1 0 241.247 1.045 20 5 BDBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000088058542 356469036 /nfs/dbraw/zinc/46/90/36/356469036.db2.gz IZAHUSGUTKGWSJ-SNVBAGLBSA-N 1 0 235.287 1.389 20 5 BDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000054104236 363560038 /nfs/dbraw/zinc/56/00/38/363560038.db2.gz XECMGPRVNBHLSM-JTQLQIEISA-N 1 0 236.271 1.816 20 5 BDBDRO CC1(C(=O)Nc2cccc([N+](=O)[O-])c2)C[NH2+]C1 ZINC000399455918 356700818 /nfs/dbraw/zinc/70/08/18/356700818.db2.gz IHXRWUHSOCLBSS-UHFFFAOYSA-N 1 0 235.243 1.143 20 5 BDBDRO CN(Cc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000385148417 356908975 /nfs/dbraw/zinc/90/89/75/356908975.db2.gz CPYJPWBAQAMYQB-UHFFFAOYSA-N 1 0 249.314 1.908 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[NH2+]CC1 ZINC000346644849 357124323 /nfs/dbraw/zinc/12/43/23/357124323.db2.gz NLEBKMNQNZHXSR-UHFFFAOYSA-N 1 0 249.314 1.699 20 5 BDBDRO Cc1c[nH+]ccc1NCCn1cc([N+](=O)[O-])cn1 ZINC000192699614 357847590 /nfs/dbraw/zinc/84/75/90/357847590.db2.gz MOOSFDLRFOFYEZ-UHFFFAOYSA-N 1 0 247.258 1.607 20 5 BDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000174813218 134283550 /nfs/dbraw/zinc/28/35/50/134283550.db2.gz PLCFNWVWNJFZEI-UHFFFAOYSA-N 1 0 238.291 1.666 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@H]1O ZINC000050015795 358710424 /nfs/dbraw/zinc/71/04/24/358710424.db2.gz KIJRJZWBTILLGU-CMPLNLGQSA-N 1 0 236.271 1.598 20 5 BDBDRO [NH3+]C1(CNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000236188669 181332585 /nfs/dbraw/zinc/33/25/85/181332585.db2.gz UFUBIXASEXFGCV-UHFFFAOYSA-N 1 0 221.260 1.888 20 5 BDBDRO [NH3+]C[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000044539816 181457951 /nfs/dbraw/zinc/45/79/51/181457951.db2.gz ZJWLFUQQYPTIPV-GFCCVEGCSA-N 1 0 249.314 1.908 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCO ZINC000020188468 371242006 /nfs/dbraw/zinc/24/20/06/371242006.db2.gz NYJMJEYOVYKXCO-UHFFFAOYSA-N 1 0 210.233 1.067 20 5 BDBDRO [NH3+][C@H](CNc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000129298564 181617764 /nfs/dbraw/zinc/61/77/64/181617764.db2.gz VKJAULOATMYJTN-SECBINFHSA-N 1 0 239.250 1.883 20 5 BDBDRO [NH3+][C@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000094772122 181653263 /nfs/dbraw/zinc/65/32/63/181653263.db2.gz QVSZLMOLICNQSX-ZETCQYMHSA-N 1 0 247.258 1.009 20 5 BDBDRO C[C@@H]1[NH2+]CC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000600682987 371695173 /nfs/dbraw/zinc/69/51/73/371695173.db2.gz RDHQDGAKXVZHEC-IONNQARKSA-N 1 0 241.316 1.496 20 5 BDBDRO C[C@H]1C[C@H]([NH3+])CN1Cc1cccc([N+](=O)[O-])c1 ZINC000601329843 371747479 /nfs/dbraw/zinc/74/74/79/371747479.db2.gz MZVMWAXJDZWFSG-ONGXEEELSA-N 1 0 235.287 1.516 20 5 BDBDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1cccc([N+](=O)[O-])c1 ZINC000601329840 371747957 /nfs/dbraw/zinc/74/79/57/371747957.db2.gz MZVMWAXJDZWFSG-GXSJLCMTSA-N 1 0 235.287 1.516 20 5 BDBDRO CCCC[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602429304 371803419 /nfs/dbraw/zinc/80/34/19/371803419.db2.gz PILZZDROXOMWGN-UHFFFAOYSA-N 1 0 226.280 1.560 20 5 BDBDRO CC[C@H]([NH3+])CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000231480100 372037093 /nfs/dbraw/zinc/03/70/93/372037093.db2.gz GFCKWHYLPHSWIC-ONGXEEELSA-N 1 0 237.303 1.983 20 5 BDBDRO CN(CCC[NH3+])Cc1csc([N+](=O)[O-])c1 ZINC000133208614 372004973 /nfs/dbraw/zinc/00/49/73/372004973.db2.gz BQUDHPRRBRQEEN-UHFFFAOYSA-N 1 0 229.305 1.437 20 5 BDBDRO CN(CCC[NH3+])Cc1cccc([N+](=O)[O-])c1 ZINC000134099606 372159089 /nfs/dbraw/zinc/15/90/89/372159089.db2.gz VHYCDRWQVXETEX-UHFFFAOYSA-N 1 0 223.276 1.375 20 5 BDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[NH2+]C2)s1 ZINC000226782941 182957592 /nfs/dbraw/zinc/95/75/92/182957592.db2.gz VSVRIHQCEIZITO-ZCFIWIBFSA-N 1 0 228.277 1.073 20 5 BDBDRO CCC[NH+](CCC)CCn1cc([N+](=O)[O-])cn1 ZINC000157608997 169147467 /nfs/dbraw/zinc/14/74/67/169147467.db2.gz FHFYAKYWOCLHJY-UHFFFAOYSA-N 1 0 240.307 1.913 20 5 BDBDRO CCC[NH2+]CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000092027605 169260386 /nfs/dbraw/zinc/26/03/86/169260386.db2.gz XCMGSPRKKVZAHS-UHFFFAOYSA-N 1 0 238.291 1.710 20 5 BDBDRO CC(C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015705 383888112 /nfs/dbraw/zinc/88/81/12/383888112.db2.gz NOGPSFCWNNCUJE-UHFFFAOYSA-N 1 0 224.260 1.455 20 5 BDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[NH2+]C2)s1 ZINC000226779411 384197143 /nfs/dbraw/zinc/19/71/43/384197143.db2.gz IMBHMTYUYPTKSG-SSDOTTSWSA-N 1 0 242.304 1.463 20 5 BDBDRO C[C@@H](CO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000082367486 384212728 /nfs/dbraw/zinc/21/27/28/384212728.db2.gz VQNIVVMOCASEBC-SECBINFHSA-N 1 0 224.260 1.313 20 5 BDBDRO CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000070892914 384368768 /nfs/dbraw/zinc/36/87/68/384368768.db2.gz IKGAPHGPMNTMBG-SECBINFHSA-N 1 0 241.316 1.450 20 5 BDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCOCC2)cc1 ZINC000363378351 384469660 /nfs/dbraw/zinc/46/96/60/384469660.db2.gz VJAXKNRHBIJLLI-UHFFFAOYSA-N 1 0 236.271 1.817 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[NH2+]C2)cn1 ZINC000070950533 384480802 /nfs/dbraw/zinc/48/08/02/384480802.db2.gz TYJBJVDXRAXHKM-MRVPVSSYSA-N 1 0 222.248 1.154 20 5 BDBDRO Cc1ccc([C@@H](C)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422917938 384488209 /nfs/dbraw/zinc/48/82/09/384488209.db2.gz GEXNRIVEZWCTEJ-ZYHUDNBSSA-N 1 0 249.314 1.916 20 5 BDBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]CC2)c(F)c1 ZINC000082654153 384516974 /nfs/dbraw/zinc/51/69/74/384516974.db2.gz GUMFIRCMVGYJGJ-UHFFFAOYSA-N 1 0 239.250 1.139 20 5 BDBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])nc1 ZINC000216239626 384562576 /nfs/dbraw/zinc/56/25/76/384562576.db2.gz WNAMRQPFYIFJCJ-RKDXNWHRSA-N 1 0 236.275 1.163 20 5 BDBDRO [NH3+]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044527727 384773982 /nfs/dbraw/zinc/77/39/82/384773982.db2.gz ZDXSVOJYKOJVPC-LBPRGKRZSA-N 1 0 249.314 1.766 20 5 BDBDRO CC[C@H](CCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000125774895 385012291 /nfs/dbraw/zinc/01/22/91/385012291.db2.gz XFTOYDHOYRLBLT-SECBINFHSA-N 1 0 244.316 1.907 20 5 BDBDRO C[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000062727298 385147998 /nfs/dbraw/zinc/14/79/98/385147998.db2.gz JMAZAGNDJFBCLQ-SNVBAGLBSA-N 1 0 238.287 1.450 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[NH2+]C1 ZINC000516867422 385161049 /nfs/dbraw/zinc/16/10/49/385161049.db2.gz XAHMZBFXXCHJCK-CYBMUJFWSA-N 1 0 249.314 1.697 20 5 BDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[NH2+]C1 ZINC000149412276 385555476 /nfs/dbraw/zinc/55/54/76/385555476.db2.gz NKTQVRWRWDMEBP-SSDOTTSWSA-N 1 0 242.666 1.417 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CC2)cs1 ZINC000120336685 385690792 /nfs/dbraw/zinc/69/07/92/385690792.db2.gz ZNAQGCMDRUPYQR-UHFFFAOYSA-N 1 0 228.273 1.271 20 5 BDBDRO C[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000052395576 385732312 /nfs/dbraw/zinc/73/23/12/385732312.db2.gz JWWCGLFWIADHEU-QMMMGPOBSA-N 1 0 237.259 1.450 20 5 BDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000396712696 385792245 /nfs/dbraw/zinc/79/22/45/385792245.db2.gz RQOVDMBRUNETKN-GWCFXTLKSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063170135 386325388 /nfs/dbraw/zinc/32/53/88/386325388.db2.gz JELROKYEZVKXEG-MRVPVSSYSA-N 1 0 237.259 1.062 20 5 BDBDRO O=[N+]([O-])c1cccc(CN[C@@H]2CCC[NH2+]C2)c1 ZINC000052926242 386371906 /nfs/dbraw/zinc/37/19/06/386371906.db2.gz NXWRFVMLKHKYEL-LLVKDONJSA-N 1 0 235.287 1.436 20 5 BDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])s1)C[NH+](C)C ZINC000292014881 386548747 /nfs/dbraw/zinc/54/87/47/386548747.db2.gz ZSBVDJSCTNNCOZ-ZETCQYMHSA-N 1 0 244.320 1.661 20 5 BDBDRO [NH3+][C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000050243866 386690403 /nfs/dbraw/zinc/69/04/03/386690403.db2.gz CKFWYWPPILLHMT-NSHDSACASA-N 1 0 235.287 1.170 20 5 BDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000237461247 386700916 /nfs/dbraw/zinc/70/09/16/386700916.db2.gz FVIXEEIOMOZREZ-QMMMGPOBSA-N 1 0 237.259 1.014 20 5 BDBDRO CN(CC[NH3+])C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000212254512 387190161 /nfs/dbraw/zinc/19/01/61/387190161.db2.gz RESIBSCWBKNYQI-DAXSKMNVSA-N 1 0 249.270 1.025 20 5 BDBDRO C[NH2+]CCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414826420 387267047 /nfs/dbraw/zinc/26/70/47/387267047.db2.gz VVLMPAXZQJLMIT-GQCTYLIASA-N 1 0 235.287 1.417 20 5 BDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccccc1[N+](=O)[O-] ZINC000346648874 387356524 /nfs/dbraw/zinc/35/65/24/387356524.db2.gz BNPKTWUBTAJNGX-WDEREUQCSA-N 1 0 249.314 1.777 20 5 BDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000035601515 387374222 /nfs/dbraw/zinc/37/42/22/387374222.db2.gz MVGJGGWDRYAATG-NXEZZACHSA-N 1 0 238.287 1.935 20 5 BDBDRO C[C@H]1[NH2+]CCN(Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000346695216 387383544 /nfs/dbraw/zinc/38/35/44/387383544.db2.gz YZJFRAAOTDIGQE-MNOVXSKESA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000414954946 387617359 /nfs/dbraw/zinc/61/73/59/387617359.db2.gz SZUDTKMAGBXHAM-ZYHUDNBSSA-N 1 0 249.314 1.825 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)[C@H](C)[NH3+] ZINC000415013152 387663294 /nfs/dbraw/zinc/66/32/94/387663294.db2.gz KJQTYLOROBKQAR-UWVGGRQHSA-N 1 0 237.303 1.729 20 5 BDBDRO O=[N+]([O-])c1cccc(CNCC23CC(C2)C[NH2+]3)c1 ZINC000596110747 388404323 /nfs/dbraw/zinc/40/43/23/388404323.db2.gz SYUJGQIJCLJWTE-UHFFFAOYSA-N 1 0 247.298 1.436 20 5 BDBDRO C[NH+](C)C1CN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000270930944 388369157 /nfs/dbraw/zinc/36/91/57/388369157.db2.gz YAYCMVCOOZYWAJ-UHFFFAOYSA-N 1 0 239.250 1.484 20 5 BDBDRO CN(CC[NH3+])C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000054417495 388518747 /nfs/dbraw/zinc/51/87/47/388518747.db2.gz RESIBSCWBKNYQI-QPJJXVBHSA-N 1 0 249.270 1.025 20 5 BDBDRO CCC[C@@H](NCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037712700 388586777 /nfs/dbraw/zinc/58/67/77/388586777.db2.gz RHBAGAABKOUUET-GFCCVEGCSA-N 1 0 237.303 1.984 20 5 BDBDRO CC(C)CCC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000276198456 388738344 /nfs/dbraw/zinc/73/83/44/388738344.db2.gz KAQSBSLOSSHYAJ-UHFFFAOYSA-N 1 0 240.307 1.817 20 5 BDBDRO [NH3+][C@H]1CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422948942 388687300 /nfs/dbraw/zinc/68/73/00/388687300.db2.gz SIGOSCPJKCTEQO-WDEREUQCSA-N 1 0 235.287 1.564 20 5 BDBDRO C[C@@H](NCc1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000422932966 388687468 /nfs/dbraw/zinc/68/74/68/388687468.db2.gz AZXLLDZYXXEBQL-SECBINFHSA-N 1 0 235.287 1.292 20 5 BDBDRO Cc1c([C@@H](C)N[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423210217 388688548 /nfs/dbraw/zinc/68/85/48/388688548.db2.gz WLAAFPIBQXBKMZ-MNOVXSKESA-N 1 0 249.314 1.916 20 5 BDBDRO Cc1ccc([C@@H](C)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423333248 388691707 /nfs/dbraw/zinc/69/17/07/388691707.db2.gz RIMHCEPQQXZFKK-NXEZZACHSA-N 1 0 237.303 1.901 20 5 BDBDRO Cc1c([C@@H](C)N[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000423368571 388691881 /nfs/dbraw/zinc/69/18/81/388691881.db2.gz NIXKNRQGUSSSEM-WCBMZHEXSA-N 1 0 237.303 1.901 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CO ZINC000127574506 388726729 /nfs/dbraw/zinc/72/67/29/388726729.db2.gz DTOFQDJCRMCDLW-VHSXEESVSA-N 1 0 238.287 1.935 20 5 BDBDRO C[C@](C[NH3+])(NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000430587619 388728707 /nfs/dbraw/zinc/72/87/07/388728707.db2.gz WSCFPEIDUDRNEH-CYBMUJFWSA-N 1 0 249.314 1.812 20 5 BDBDRO Cc1ccnc(N[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000070496679 388730111 /nfs/dbraw/zinc/73/01/11/388730111.db2.gz QZLZLRSEFDFYNK-VIFPVBQESA-N 1 0 236.275 1.462 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]CCCCO)cs1 ZINC000193282140 388843151 /nfs/dbraw/zinc/84/31/51/388843151.db2.gz IMALPIDHJBVYND-UHFFFAOYSA-N 1 0 230.289 1.518 20 5 BDBDRO [NH3+]C[C@H]1CCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000044559368 132225207 /nfs/dbraw/zinc/22/52/07/132225207.db2.gz RNLSBSKKRANRQZ-SECBINFHSA-N 1 0 236.275 1.307 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH2+]CC1 ZINC000125533335 132229155 /nfs/dbraw/zinc/22/91/55/132229155.db2.gz YJRBUOUZNXKSOY-UHFFFAOYSA-N 1 0 221.260 1.313 20 5 BDBDRO Cc1cnc(N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000090691883 132237033 /nfs/dbraw/zinc/23/70/33/132237033.db2.gz XSOATDUXRMOTIE-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000034871773 132268656 /nfs/dbraw/zinc/26/86/56/132268656.db2.gz IBYRCGPBLYCJMO-DTWKUNHWSA-N 1 0 236.275 1.176 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+]CC2)c1 ZINC000087149390 132311329 /nfs/dbraw/zinc/31/13/29/132311329.db2.gz ZOAMWVVRMZMLRR-UHFFFAOYSA-N 1 0 221.260 1.313 20 5 BDBDRO Cc1cc(N2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000036754894 132342562 /nfs/dbraw/zinc/34/25/62/132342562.db2.gz BSDJQNABSNQCFI-UHFFFAOYSA-N 1 0 235.287 1.831 20 5 BDBDRO O=[N+]([O-])c1cc(CN[C@@H]2CC[NH2+]C2)cs1 ZINC000261544841 135185980 /nfs/dbraw/zinc/18/59/80/135185980.db2.gz JFGKDJVBSOFJPJ-MRVPVSSYSA-N 1 0 227.289 1.108 20 5 BDBDRO Cc1ccnc(N2CC[C@@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC000261554178 135193471 /nfs/dbraw/zinc/19/34/71/135193471.db2.gz OPIQDTZXJWKORC-RKDXNWHRSA-N 1 0 236.275 1.224 20 5 BDBDRO C[C@@H]1[C@H]([NH3+])CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000261553870 135194014 /nfs/dbraw/zinc/19/40/14/135194014.db2.gz OIPDQIYVSGKGNZ-VXNVDRBHSA-N 1 0 239.250 1.660 20 5 BDBDRO Cc1ccnc(N2CC[C@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC000261554172 135194105 /nfs/dbraw/zinc/19/41/05/135194105.db2.gz OPIQDTZXJWKORC-BDAKNGLRSA-N 1 0 236.275 1.224 20 5 BDBDRO Cc1cnc(N2CC[C@@H]([NH3+])[C@H]2C)c([N+](=O)[O-])c1 ZINC000261560443 135201495 /nfs/dbraw/zinc/20/14/95/135201495.db2.gz UPPROPXKGSKVOT-RKDXNWHRSA-N 1 0 236.275 1.224 20 5 BDBDRO C[C@]1(C[NH3+])CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000261572936 135214523 /nfs/dbraw/zinc/21/45/23/135214523.db2.gz MBYSEFKXWKMWIZ-CYBMUJFWSA-N 1 0 249.314 1.766 20 5 BDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000261581955 135222348 /nfs/dbraw/zinc/22/23/48/135222348.db2.gz QZAVZHIUHQYOFB-GMTAPVOTSA-N 1 0 247.298 1.768 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000261586971 135227721 /nfs/dbraw/zinc/22/77/21/135227721.db2.gz RLFHQIFKORFSGW-BQBZGAKWSA-N 1 0 227.239 1.882 20 5 BDBDRO C[C@H]1C[NH2+]CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000261591650 135232053 /nfs/dbraw/zinc/23/20/53/135232053.db2.gz XXPXZCIUGYJJCF-JQWIXIFHSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H](C)[NH3+] ZINC000261595122 135234751 /nfs/dbraw/zinc/23/47/51/135234751.db2.gz XWNHZWPPFOQHCZ-NKWVEPMBSA-N 1 0 227.239 1.882 20 5 BDBDRO Cc1cccc(N2CC[C@@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC000261547841 135241206 /nfs/dbraw/zinc/24/12/06/135241206.db2.gz IRSMMEMFNMVZAS-VHSXEESVSA-N 1 0 235.287 1.829 20 5 BDBDRO C[C@@H](N[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000262038374 135275037 /nfs/dbraw/zinc/27/50/37/135275037.db2.gz HMSGLILNJTVUTI-ZJUUUORDSA-N 1 0 235.287 1.607 20 5 BDBDRO Cc1cnc(NCC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000085427009 135484316 /nfs/dbraw/zinc/48/43/16/135484316.db2.gz QXHWTKCSNZXSGT-MRVPVSSYSA-N 1 0 224.264 1.447 20 5 BDBDRO C[C@H](O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000087128196 135501978 /nfs/dbraw/zinc/50/19/78/135501978.db2.gz BGPZNFGADQKDAO-IUCAKERBSA-N 1 0 224.260 1.454 20 5 BDBDRO CC[C@@H]1CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348389712 136075828 /nfs/dbraw/zinc/07/58/28/136075828.db2.gz HGPZVZDYNYVGDQ-KOLCDFICSA-N 1 0 238.291 1.570 20 5 BDBDRO Cc1cnc(OCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000176708217 398005631 /nfs/dbraw/zinc/00/56/31/398005631.db2.gz SNBQBPYHJFCDHM-UHFFFAOYSA-N 1 0 225.248 1.239 20 5 BDBDRO CC1=CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000280814091 168099245 /nfs/dbraw/zinc/09/92/45/168099245.db2.gz MOUXESFTBFGSCM-UHFFFAOYSA-N 1 0 236.275 1.443 20 5 BDBDRO C[C@H](CC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000336696105 411401407 /nfs/dbraw/zinc/40/14/07/411401407.db2.gz IPZKWADDABRRTI-MRVPVSSYSA-N 1 0 237.259 1.062 20 5 BDBDRO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086466621 411405905 /nfs/dbraw/zinc/40/59/05/411405905.db2.gz FGCFBSGDSIQCRH-QWRGUYRKSA-N 1 0 249.314 1.777 20 5 BDBDRO CC[NH2+]CCNc1ccc([N+](=O)[O-])cc1C ZINC000054267242 170116858 /nfs/dbraw/zinc/11/68/58/170116858.db2.gz NHDRNGYIYYWEEA-UHFFFAOYSA-N 1 0 223.276 1.925 20 5 BDBDRO CC[C@@H](C)[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000183027751 170791051 /nfs/dbraw/zinc/79/10/51/170791051.db2.gz OWFCWSOENKIRDD-ZJUUUORDSA-N 1 0 240.307 1.816 20 5 BDBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000037647769 173117334 /nfs/dbraw/zinc/11/73/34/173117334.db2.gz ZWALXXLLWDCECF-VIFPVBQESA-N 1 0 236.275 1.353 20 5 BDBDRO C[NH2+]CCN(C)c1cccc(C)c1[N+](=O)[O-] ZINC000234373526 173353595 /nfs/dbraw/zinc/35/35/95/173353595.db2.gz WFORIMIXUGFODJ-UHFFFAOYSA-N 1 0 223.276 1.559 20 5 BDBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000128364632 173369182 /nfs/dbraw/zinc/36/91/82/173369182.db2.gz BUZPDXAFPRHDFG-ZDUSSCGKSA-N 1 0 249.314 1.779 20 5 BDBDRO COCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472330 174248465 /nfs/dbraw/zinc/24/84/65/174248465.db2.gz WIJMPZUXMQYYPH-UHFFFAOYSA-N 1 0 230.289 1.782 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000038087026 176026952 /nfs/dbraw/zinc/02/69/52/176026952.db2.gz QTAYKXVUTYYGIV-NSHDSACASA-N 1 0 249.314 1.951 20 5 BDBDRO C[C@@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000267612014 176296299 /nfs/dbraw/zinc/29/62/99/176296299.db2.gz BOLMAYSWANSHIR-NXEZZACHSA-N 1 0 238.291 1.379 20 5 BDBDRO C[C@H]([NH2+]CCC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000036746777 176840200 /nfs/dbraw/zinc/84/02/00/176840200.db2.gz XTZAOTHISBMZEK-QMMMGPOBSA-N 1 0 237.259 1.121 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000066404931 177038127 /nfs/dbraw/zinc/03/81/27/177038127.db2.gz KUUIMCNLXAAFOO-LLVKDONJSA-N 1 0 249.314 1.903 20 5 BDBDRO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235667243 177228474 /nfs/dbraw/zinc/22/84/74/177228474.db2.gz GJJYLXOPCDIWDV-WPRPVWTQSA-N 1 0 249.270 1.014 20 5 BDBDRO C[C@H]1C[NH+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000355339051 177260020 /nfs/dbraw/zinc/26/00/20/177260020.db2.gz HSSXANMUMDSVQQ-IUCAKERBSA-N 1 0 238.291 1.416 20 5 BDBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355343955 177318890 /nfs/dbraw/zinc/31/88/90/177318890.db2.gz PKGFYIPXEOJNKN-DTWKUNHWSA-N 1 0 238.291 1.559 20 5 BDBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccccc1[N+](=O)[O-] ZINC000131734416 177361087 /nfs/dbraw/zinc/36/10/87/177361087.db2.gz OQOZEKYYOLCFFT-WDEREUQCSA-N 1 0 249.314 1.764 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)O ZINC000131173416 323012662 /nfs/dbraw/zinc/01/26/62/323012662.db2.gz DMXKFJXSNALMOW-VHSXEESVSA-N 1 0 238.287 1.935 20 5 BDBDRO C[C@@H](C1CC1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157811242 326296770 /nfs/dbraw/zinc/29/67/70/326296770.db2.gz RVPMZYJEBFHDQU-VIFPVBQESA-N 1 0 238.291 1.522 20 5 BDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000174863321 528611523 /nfs/dbraw/zinc/61/15/23/528611523.db2.gz TVBXDQGVVJIXIU-UHFFFAOYSA-N 1 0 240.307 1.769 20 5 BDBDRO C[NH2+][C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261556475 536377657 /nfs/dbraw/zinc/37/76/57/536377657.db2.gz QUFYMRHTMOWFMS-MRVPVSSYSA-N 1 0 239.250 1.532 20 5 BDBDRO C[C@H](COC(=O)c1ccc2c[nH+]cn2c1)[N+](=O)[O-] ZINC000813104585 582580853 /nfs/dbraw/zinc/58/08/53/582580853.db2.gz FAKFLFRNYKURCZ-MRVPVSSYSA-N 1 0 249.226 1.156 20 5 BDBDRO CC[C@@H](C(=O)OC[C@H](C)[N+](=O)[O-])[NH+](CC)CC ZINC000813115118 582592042 /nfs/dbraw/zinc/59/20/42/582592042.db2.gz KURSRBWXOFGJMP-UWVGGRQHSA-N 1 0 246.307 1.315 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1COCO1 ZINC000894870193 583539431 /nfs/dbraw/zinc/53/94/31/583539431.db2.gz JDNGIJHSSPVXRO-JTQLQIEISA-N 1 0 238.243 1.057 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COCO2)cc1 ZINC000894872080 583540124 /nfs/dbraw/zinc/54/01/24/583540124.db2.gz XODNGRQBQGXAKX-LLVKDONJSA-N 1 0 238.243 1.057 20 5 BDBDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]CC[N+](=O)[O-] ZINC000899871908 584244355 /nfs/dbraw/zinc/24/43/55/584244355.db2.gz VIJJCUKQKKTZSA-GHMZBOCLSA-N 1 0 230.308 1.448 20 5 BDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNCC[N+](=O)[O-])C1 ZINC000899870498 584244796 /nfs/dbraw/zinc/24/47/96/584244796.db2.gz HVZGCBXQTMUKGP-RYUDHWBXSA-N 1 0 243.351 1.221 20 5 BDBDRO C[C@H]1C[C@H](C[NH2+]CC[N+](=O)[O-])C[C@@H](C)C1 ZINC000899891807 584248980 /nfs/dbraw/zinc/24/89/80/584248980.db2.gz LVJJIJSABQZYSK-URLYPYJESA-N 1 0 214.309 1.925 20 5 BDBDRO COc1cc([C@@H](C)[NH2+]CCO)cc([N+](=O)[O-])c1 ZINC000903058988 584722849 /nfs/dbraw/zinc/72/28/49/584722849.db2.gz LPLYXYWWQTUBES-MRVPVSSYSA-N 1 0 240.259 1.246 20 5 BDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000761098939 585409247 /nfs/dbraw/zinc/40/92/47/585409247.db2.gz XEANUIGTBHDPDN-JIMOISOXSA-N 1 0 248.282 1.722 20 5 BDBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC[N+](=O)[O-] ZINC000791052114 585972838 /nfs/dbraw/zinc/97/28/38/585972838.db2.gz LMIGVXZXKSJYSY-GMTAPVOTSA-N 1 0 212.293 1.916 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000791054805 585972971 /nfs/dbraw/zinc/97/29/71/585972971.db2.gz YHLDIROACVUDDD-ZDUSSCGKSA-N 1 0 234.299 1.970 20 5 BDBDRO C[C@@H](C[NH3+])c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823233935 587210470 /nfs/dbraw/zinc/21/04/70/587210470.db2.gz DXBUHPFLSCWTSP-ZETCQYMHSA-N 1 0 242.279 1.120 20 5 BDBDRO [NH3+]CCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843171208 588089375 /nfs/dbraw/zinc/08/93/75/588089375.db2.gz VNSYJKVPKHTRMO-UHFFFAOYSA-N 1 0 248.242 1.070 20 5 BDBDRO Cc1ccc(-c2noc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC000843178932 588089827 /nfs/dbraw/zinc/08/98/27/588089827.db2.gz RJFNPUMYWABNPT-UHFFFAOYSA-N 1 0 248.242 1.454 20 5 BDBDRO C[C@@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016324 589855990 /nfs/dbraw/zinc/85/59/90/589855990.db2.gz IDFXZOZIPJGRHP-SFYZADRCSA-N 1 0 242.250 1.765 20 5 BDBDRO Cc1ccc(CN[C@@H]2CCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873251096 590008651 /nfs/dbraw/zinc/00/86/51/590008651.db2.gz IXMNQWRAECFAMI-VXGBXAGGSA-N 1 0 249.314 1.873 20 5 BDBDRO Cc1ccc(CN[C@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000873253426 590009659 /nfs/dbraw/zinc/00/96/59/590009659.db2.gz XKQNXQMGNWZVLB-SNVBAGLBSA-N 1 0 249.314 1.601 20 5 BDBDRO CCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876906746 590255850 /nfs/dbraw/zinc/25/58/50/590255850.db2.gz HHMSHWSOFSTOGQ-UHFFFAOYSA-N 1 0 238.291 1.885 20 5 BDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCF)C2)c1 ZINC000877091962 590281468 /nfs/dbraw/zinc/28/14/68/590281468.db2.gz SMTRFMPQGTXRQK-UHFFFAOYSA-N 1 0 242.254 1.444 20 5 BDBDRO C[NH2+][C@@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000129110790 591248488 /nfs/dbraw/zinc/24/84/88/591248488.db2.gz BHJKDIKYQFQSCF-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886332463 592211108 /nfs/dbraw/zinc/21/11/08/592211108.db2.gz UQCHAZNSBUKCTK-PHIMTYICSA-N 1 0 248.282 1.925 20 5 BDBDRO C[C@H]([NH3+])c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000124215316 592717107 /nfs/dbraw/zinc/71/71/07/592717107.db2.gz XWMYBZZAXJVECF-QMMMGPOBSA-N 1 0 247.258 1.254 20 5 BDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107571252 635399302 /nfs/dbraw/zinc/39/93/02/635399302.db2.gz WIFZVJSMULEPCY-NXEZZACHSA-N 1 0 233.271 1.250 20 5 BDBDRO CC[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000044286751 632080454 /nfs/dbraw/zinc/08/04/54/632080454.db2.gz BRJCVQGIYMWTIN-UHFFFAOYSA-N 1 0 237.259 1.451 20 5 BDBDRO C[C@@H]([NH3+])CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000309185833 632710250 /nfs/dbraw/zinc/71/02/50/632710250.db2.gz GEMKSOBLLOHZPS-SECBINFHSA-N 1 0 223.276 1.374 20 5 BDBDRO C[C@H]([NH3+])CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000309185834 632710589 /nfs/dbraw/zinc/71/05/89/632710589.db2.gz GEMKSOBLLOHZPS-VIFPVBQESA-N 1 0 223.276 1.374 20 5 BDBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CC[N+](=O)[O-] ZINC000306333062 636819078 /nfs/dbraw/zinc/81/90/78/636819078.db2.gz DSOPXRXUMFGEIN-SFYZADRCSA-N 1 0 204.295 1.089 20 5 BDBDRO [NH3+]C1(CNC/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000904451677 637417744 /nfs/dbraw/zinc/41/77/44/637417744.db2.gz ZMHVNLBFRIHWME-HYXAFXHYSA-N 1 0 247.298 1.689 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000905033719 637553332 /nfs/dbraw/zinc/55/33/32/637553332.db2.gz FPNBTTBWWWOFLB-LBPRGKRZSA-N 1 0 249.314 1.379 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCSC(F)(F)F ZINC000905051823 637569536 /nfs/dbraw/zinc/56/95/36/637569536.db2.gz XDVSFBHNLLYDNY-UHFFFAOYSA-N 1 0 218.200 1.106 20 5 BDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905029002 637578004 /nfs/dbraw/zinc/57/80/04/637578004.db2.gz VRWOHKKPAHRUSZ-SNVBAGLBSA-N 1 0 208.261 1.656 20 5 BDBDRO CCCC[N@@H+]1CCCC[C@@H]1CNCC[N+](=O)[O-] ZINC000905083540 637582720 /nfs/dbraw/zinc/58/27/20/637582720.db2.gz WEUYFVNWPQHKCI-GFCCVEGCSA-N 1 0 243.351 1.507 20 5 BDBDRO CS[C@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905123100 637628988 /nfs/dbraw/zinc/62/89/88/637628988.db2.gz GQJLJKPQPIWPMX-BDAKNGLRSA-N 1 0 218.322 1.527 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C1CC(c2ccccc2)C1 ZINC000905097112 637634533 /nfs/dbraw/zinc/63/45/33/637634533.db2.gz LEFDLBXPLWBBNN-UHFFFAOYSA-N 1 0 220.272 1.799 20 5 BDBDRO Cc1cc(F)ccc1CC[NH2+]CC[N+](=O)[O-] ZINC000905157754 637639530 /nfs/dbraw/zinc/63/95/30/637639530.db2.gz AYLUPRPQDFWHOA-UHFFFAOYSA-N 1 0 226.251 1.543 20 5 BDBDRO CCS[C@@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905147707 637657247 /nfs/dbraw/zinc/65/72/47/637657247.db2.gz LTORXYPZGWODJW-NXEZZACHSA-N 1 0 232.349 1.917 20 5 BDBDRO CCOCCC1(C[NH2+]CC[N+](=O)[O-])CCCC1 ZINC000905167698 637679403 /nfs/dbraw/zinc/67/94/03/637679403.db2.gz JZEGYWNRHXJERF-UHFFFAOYSA-N 1 0 244.335 1.840 20 5 BDBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]CC[N+](=O)[O-] ZINC000905173072 637683098 /nfs/dbraw/zinc/68/30/98/637683098.db2.gz AAWAGWIUKCXPCO-VIFPVBQESA-N 1 0 224.260 1.190 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000905227722 637688139 /nfs/dbraw/zinc/68/81/39/637688139.db2.gz FHIQMOPOEDTWJX-UHFFFAOYSA-N 1 0 219.244 1.534 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000905231638 637692205 /nfs/dbraw/zinc/69/22/05/637692205.db2.gz KTXIUXCIJXTENO-NSHDSACASA-N 1 0 236.271 1.116 20 5 BDBDRO CC(C)C[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905201360 637693733 /nfs/dbraw/zinc/69/37/33/637693733.db2.gz IGODVFKIWUBWMU-QWRGUYRKSA-N 1 0 230.308 1.446 20 5 BDBDRO C[C@]1(C[NH2+]CC[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000905214896 637700470 /nfs/dbraw/zinc/70/04/70/637700470.db2.gz KUARZGDENIHQQK-WDEREUQCSA-N 1 0 228.292 1.058 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000905271403 637729296 /nfs/dbraw/zinc/72/92/96/637729296.db2.gz BVNFWTOGABXRPH-SNVBAGLBSA-N 1 0 228.292 1.202 20 5 BDBDRO CC1(C)CCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905271265 637729647 /nfs/dbraw/zinc/72/96/47/637729647.db2.gz BUTIVJAZWBLIOZ-SECBINFHSA-N 1 0 200.282 1.679 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])OCC1CC1 ZINC000905286897 637740232 /nfs/dbraw/zinc/74/02/32/637740232.db2.gz TVFYLUUPOPLPNU-UHFFFAOYSA-N 1 0 216.281 1.058 20 5 BDBDRO C[NH+](C)Cc1ccc(NCC[N+](=O)[O-])cc1 ZINC000905299567 637760925 /nfs/dbraw/zinc/76/09/25/637760925.db2.gz FADQAYSOXJZJCV-UHFFFAOYSA-N 1 0 223.276 1.437 20 5 BDBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC[N+](=O)[O-] ZINC000905380512 637782895 /nfs/dbraw/zinc/78/28/95/637782895.db2.gz GMLQADIXUSRELZ-PWSUYJOCSA-N 1 0 238.287 1.017 20 5 BDBDRO CC1(C)[C@@H](C[NH2+]CC[N+](=O)[O-])C1(F)F ZINC000905375143 637794192 /nfs/dbraw/zinc/79/41/92/637794192.db2.gz XGIVZAFLXFKRKB-ZCFIWIBFSA-N 1 0 208.208 1.144 20 5 BDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000905415906 637802593 /nfs/dbraw/zinc/80/25/93/637802593.db2.gz TZJOMKUQJRSVHB-NWDGAFQWSA-N 1 0 238.287 1.365 20 5 BDBDRO C[C@]1(C[NH2+]CC[N+](=O)[O-])CCOC2(CCC2)C1 ZINC000905489209 637835610 /nfs/dbraw/zinc/83/56/10/637835610.db2.gz ZCWWSRDNZMYGKB-NSHDSACASA-N 1 0 242.319 1.592 20 5 BDBDRO C[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CCS1 ZINC000905608487 637853218 /nfs/dbraw/zinc/85/32/18/637853218.db2.gz MUYVLKFXKLFJRJ-HTQZYQBOSA-N 1 0 204.295 1.137 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCC=CCCC1 ZINC000905680603 637889494 /nfs/dbraw/zinc/88/94/94/637889494.db2.gz YFAXTTHPYQGYGF-LLVKDONJSA-N 1 0 212.293 1.989 20 5 BDBDRO C[C@H]1CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905975841 637992883 /nfs/dbraw/zinc/99/28/83/637992883.db2.gz VVPACXGJKYVUNZ-JOYOIKCWSA-N 1 0 236.271 1.722 20 5 BDBDRO [NH3+][C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000906508319 638178516 /nfs/dbraw/zinc/17/85/16/638178516.db2.gz MSACPOBJMBKGDT-MGCOHNPYSA-N 1 0 221.260 1.174 20 5 BDBDRO C[C@H](NCC[N+](=O)[O-])c1cccc(O)c1 ZINC000930261004 639666568 /nfs/dbraw/zinc/66/65/68/639666568.db2.gz ANVGIKZOJWAAQX-QMMMGPOBSA-N 1 0 210.233 1.320 20 5 BDBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000930664291 639853217 /nfs/dbraw/zinc/85/32/17/639853217.db2.gz HAZXDNJCHOCGGF-NXEZZACHSA-N 1 0 216.281 1.200 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000930810003 639912265 /nfs/dbraw/zinc/91/22/65/639912265.db2.gz QDJHKYXOOQGZND-LBPRGKRZSA-N 1 0 235.287 1.538 20 5 BDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1CCCCO1 ZINC000930891204 639975883 /nfs/dbraw/zinc/97/58/83/639975883.db2.gz HERGUXDJMGWCLQ-VHSXEESVSA-N 1 0 216.281 1.200 20 5 BDBDRO COCC1([NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000931079178 640062770 /nfs/dbraw/zinc/06/27/70/640062770.db2.gz KNWYRFMTIAOXOY-UHFFFAOYSA-N 1 0 216.281 1.202 20 5 BDBDRO C[C@H]1COC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000932489769 640553983 /nfs/dbraw/zinc/55/39/83/640553983.db2.gz SEBMWZZIQQVCGO-WCBMZHEXSA-N 1 0 237.259 1.114 20 5 BDBDRO C[C@]12C[N@H+](CC[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933706036 640751230 /nfs/dbraw/zinc/75/12/30/640751230.db2.gz PJLLWCIMRHJJCY-WHOHXGKFSA-N 1 0 224.304 1.631 20 5 BDBDRO [NH3+]C1CC(NCc2ccccc2[N+](=O)[O-])C1 ZINC000087651841 640957722 /nfs/dbraw/zinc/95/77/22/640957722.db2.gz FUSVXRUJVCXYED-UHFFFAOYSA-N 1 0 221.260 1.174 20 5 BDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCO ZINC000050443417 641149441 /nfs/dbraw/zinc/14/94/41/641149441.db2.gz HMBXBGJMMWZTDT-UHFFFAOYSA-N 1 0 244.678 1.720 20 5 BDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000087128199 644477497 /nfs/dbraw/zinc/47/74/97/644477497.db2.gz BGPZNFGADQKDAO-BDAKNGLRSA-N 1 0 224.260 1.454 20 5 BDBDRO C[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000087226002 644484369 /nfs/dbraw/zinc/48/43/69/644484369.db2.gz GIKBZJRNYPATSE-UHFFFAOYSA-N 1 0 228.223 1.158 20 5 BDBDRO O=C(C[C@@H]1CC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000089741329 644563618 /nfs/dbraw/zinc/56/36/18/644563618.db2.gz 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CC[N@H+](CCN(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007629 969336050 /nfs/dbraw/zinc/33/60/50/969336050.db2.gz OSWARUQSORGIEJ-RYUDHWBXSA-N 1 0 243.351 1.315 20 5 BDBDRO C[N@H+](CC1(C)COC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034592 969350810 /nfs/dbraw/zinc/35/08/10/969350810.db2.gz IEKAUAXVRIILSQ-WDEREUQCSA-N 1 0 242.319 1.400 20 5 BDBDRO CC(C)([NH3+])CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000304351283 970584815 /nfs/dbraw/zinc/58/48/15/970584815.db2.gz KRSBREMMAWOMPL-UHFFFAOYSA-N 1 0 244.682 1.792 20 5 BDBDRO C[N+](C)(C)CCCOC1CC2(COC2)C1 ZINC001224624851 973809194 /nfs/dbraw/zinc/80/91/94/973809194.db2.gz ZZVPZHLNFQWPJR-UHFFFAOYSA-N 1 0 214.329 1.278 20 5 BDBDRO C[N+](C)(C)CCOC1CCC(=O)CC1 ZINC001224771868 973938952 /nfs/dbraw/zinc/93/89/52/973938952.db2.gz TWJCLMTVVWFCBC-UHFFFAOYSA-N 1 0 200.302 1.221 20 5 BDBDRO C[C@H](OCC[N+](C)(C)C)c1cnccn1 ZINC001224776560 973942346 /nfs/dbraw/zinc/94/23/46/973942346.db2.gz XTWYXMQUFDAPDV-JTQLQIEISA-N 1 0 210.301 1.260 20 5 BDBDRO CCC[C@H](CC(=O)OCC)OCC[N+](C)(C)C ZINC001224776275 973942982 /nfs/dbraw/zinc/94/29/82/973942982.db2.gz UKEUQWKWMICYIA-GFCCVEGCSA-N 1 0 246.371 1.831 20 5 BDBDRO C[C@]1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000405852177 971315195 /nfs/dbraw/zinc/31/51/95/971315195.db2.gz MTODGSLTDZWAGI-LBPRGKRZSA-N 1 0 249.270 1.158 20 5 BDBDRO C[NH+](C)CCCCO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001224990843 974117636 /nfs/dbraw/zinc/11/76/36/974117636.db2.gz HPMOPURFDBLAAF-NSHDSACASA-N 1 0 230.308 1.400 20 5 BDBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C2)ccc1F ZINC001218279955 971673203 /nfs/dbraw/zinc/67/32/03/971673203.db2.gz WCJTVXPNDAGRJD-SECBINFHSA-N 1 0 240.234 1.865 20 5 BDBDRO C[C@@H]([NH3+])CCNc1c(Cl)nccc1[N+](=O)[O-] ZINC001170889005 972041354 /nfs/dbraw/zinc/04/13/54/972041354.db2.gz GXNYVKXBENVZBF-ZCFIWIBFSA-N 1 0 244.682 1.792 20 5 BDBDRO C[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819298450 972095421 /nfs/dbraw/zinc/09/54/21/972095421.db2.gz JGSAIRZUWDZKQO-FXAINCCUSA-N 1 0 236.271 1.626 20 5 BDBDRO C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CN1 ZINC001246085654 972141055 /nfs/dbraw/zinc/14/10/55/972141055.db2.gz RIYGNXKNVFCAAZ-USZNOCQGSA-N 1 0 241.335 1.162 20 5 BDBDRO CCOC(=O)[C@H](C)O[C@H](C)C[N+](C)(C)C ZINC001204600455 959195291 /nfs/dbraw/zinc/19/52/91/959195291.db2.gz YPGQJRXTOYGJBJ-ZJUUUORDSA-N 1 0 218.317 1.049 20 5 BDBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C2)ccn1 ZINC001218287279 959953653 /nfs/dbraw/zinc/95/36/53/959953653.db2.gz XWWIKZZNIZDCQW-SECBINFHSA-N 1 0 223.232 1.121 20 5 BDBDRO C[NH+]1CCC(O[C@@H](C[N+](=O)[O-])C2CC2)CC1 ZINC001222503976 972529043 /nfs/dbraw/zinc/52/90/43/972529043.db2.gz LVIMELZLHLKGBU-NSHDSACASA-N 1 0 228.292 1.153 20 5 BDBDRO C[C@@H](C[NH+](C)C)Nc1cccc([N+](=O)[O-])n1 ZINC001155914300 963201864 /nfs/dbraw/zinc/20/18/64/963201864.db2.gz IEUUUJVIBDVYJL-QMMMGPOBSA-N 1 0 224.264 1.352 20 5 BDBDRO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC001156580207 963393687 /nfs/dbraw/zinc/39/36/87/963393687.db2.gz 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/nfs/dbraw/zinc/00/54/32/975005432.db2.gz QBICTOXPNYPTMC-SECBINFHSA-N 1 0 223.232 1.098 20 5 BDBDRO C[C@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])nc1 ZINC001226710792 975040485 /nfs/dbraw/zinc/04/04/85/975040485.db2.gz VNTABZLHNNGZCF-MRVPVSSYSA-N 1 0 225.248 1.319 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1O[C@@H](C)C[NH+](C)C ZINC001226762112 975063565 /nfs/dbraw/zinc/06/35/65/975063565.db2.gz QOLJRQDBGCDFHA-VIFPVBQESA-N 1 0 239.275 1.627 20 5 BDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(C)([NH3+])C1 ZINC001173230908 975078529 /nfs/dbraw/zinc/07/85/29/975078529.db2.gz WEZABXCBZAKLTO-JTQLQIEISA-N 1 0 249.314 1.559 20 5 BDBDRO COCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213656 975081093 /nfs/dbraw/zinc/08/10/93/975081093.db2.gz HBIZKWRONKHONU-SNVBAGLBSA-N 1 0 238.287 1.762 20 5 BDBDRO Cc1ncnc(O[C@@H](C)C[N+](C)(C)C)c1C ZINC001228322092 976111665 /nfs/dbraw/zinc/11/16/65/976111665.db2.gz JOYKXLBHPWYTSB-VIFPVBQESA-N 1 0 224.328 1.567 20 5 BDBDRO CC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cn1 ZINC001229012931 976645529 /nfs/dbraw/zinc/64/55/29/976645529.db2.gz OUYLRUSTEOPSQU-JTQLQIEISA-N 1 0 237.323 1.758 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2ccn(C)c21 ZINC001229020484 976663504 /nfs/dbraw/zinc/66/35/04/976663504.db2.gz SXCPABCJVYMNJB-SNVBAGLBSA-N 1 0 249.338 1.442 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccn2ccnc2c1 ZINC001229109061 976736626 /nfs/dbraw/zinc/73/66/26/976736626.db2.gz QTBHUXSUADLKIT-NSHDSACASA-N 1 0 234.323 1.808 20 5 BDBDRO C[C@@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])ccc1O ZINC001229395150 976857118 /nfs/dbraw/zinc/85/71/18/976857118.db2.gz FOBHEQDBBAYXSX-QMMMGPOBSA-N 1 0 240.259 1.629 20 5 BDBDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC001335412961 977041984 /nfs/dbraw/zinc/04/19/84/977041984.db2.gz SJNQNFYCMCGJBF-JQWIXIFHSA-N 1 0 238.287 1.283 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC001335905472 977356090 /nfs/dbraw/zinc/35/60/90/977356090.db2.gz IUZFQXXWZIPYEX-LLVKDONJSA-N 1 0 228.292 1.154 20 5 BDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC001336819745 977983416 /nfs/dbraw/zinc/98/34/16/977983416.db2.gz GOTOLRUAISXZNZ-JQWIXIFHSA-N 1 0 238.287 1.149 20 5 BDBDRO Cc1cccc(C(=O)NCC2([NH3+])CC2)c1[N+](=O)[O-] ZINC001341302492 979324407 /nfs/dbraw/zinc/32/44/07/979324407.db2.gz JWTGURNZYRWNTA-UHFFFAOYSA-N 1 0 249.270 1.124 20 5 BDBDRO Cc1cc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC001343777940 980235673 /nfs/dbraw/zinc/23/56/73/980235673.db2.gz VNLQZVFEIKSULL-KYZUINATSA-N 1 0 249.270 1.579 20 5 BDBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000688052076 985539592 /nfs/dbraw/zinc/53/95/92/985539592.db2.gz ZOHURNPAEGWJJF-BXKDBHETSA-N 1 0 236.271 1.719 20 5 BDBDRO [NH3+]CC1(NCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001580245206 986696883 /nfs/dbraw/zinc/69/68/83/986696883.db2.gz DRCBWXFUGDLDKV-UHFFFAOYSA-N 1 0 249.314 1.956 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC001515653897 989088474 /nfs/dbraw/zinc/08/84/74/989088474.db2.gz BDUNBUTWSLTZCE-DTORHVGOSA-N 1 0 249.270 1.123 20 5 BDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccccn1 ZINC001120576089 989745679 /nfs/dbraw/zinc/74/56/79/989745679.db2.gz CAGPDUIWRAEBOY-VIFPVBQESA-N 1 0 209.249 1.051 20 5 BDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCF)c1 ZINC001120584149 989756520 /nfs/dbraw/zinc/75/65/20/989756520.db2.gz YLIOLQIYKAGTFW-NSHDSACASA-N 1 0 242.250 1.577 20 5 BDBDRO Cc1cc(N(C)[C@@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000092027679 178100020 /nfs/dbraw/zinc/10/00/20/178100020.db2.gz NSLCITACTBGWQM-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]([NH3+])C1CC1 ZINC000129311177 178274417 /nfs/dbraw/zinc/27/44/17/178274417.db2.gz MBYSXCREQCCCKF-JTQLQIEISA-N 1 0 236.275 1.447 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([NH3+])C1 ZINC000346111320 178271474 /nfs/dbraw/zinc/27/14/74/178271474.db2.gz XGJYACCEQDEVSE-LBPRGKRZSA-N 1 0 249.314 1.826 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[NH2+]C1 ZINC000052093681 178273046 /nfs/dbraw/zinc/27/30/46/178273046.db2.gz ZYEZLCCQAWUYQK-VIFPVBQESA-N 1 0 221.260 1.677 20 5 BDBDRO C[C@@H]([NH2+][C@@H](C)CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285054230 398242453 /nfs/dbraw/zinc/24/24/53/398242453.db2.gz IPKMLUAXCNABQG-JGVFFNPUSA-N 1 0 239.275 1.208 20 5 BDBDRO Cn1cc(C[N@H+](C)CCC2CC2)c([N+](=O)[O-])n1 ZINC000602483229 349566490 /nfs/dbraw/zinc/56/64/90/349566490.db2.gz FIXVFPHBGUZKEE-UHFFFAOYSA-N 1 0 238.291 1.560 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CO)CCC2)c1 ZINC000133150244 398322671 /nfs/dbraw/zinc/32/26/71/398322671.db2.gz JKTNOOKSNQDYJE-UHFFFAOYSA-N 1 0 236.271 1.599 20 5 BDBDRO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602705219 349699351 /nfs/dbraw/zinc/69/93/51/349699351.db2.gz MOCFZIZXZYOWKK-UHFFFAOYSA-N 1 0 240.307 1.949 20 5 BDBDRO Cn1cc(C[N@H+](C)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602850764 349785504 /nfs/dbraw/zinc/78/55/04/349785504.db2.gz SDHBEKZLMKZARN-UHFFFAOYSA-N 1 0 226.280 1.559 20 5 BDBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]CC2)cs1 ZINC000038086769 343060161 /nfs/dbraw/zinc/06/01/61/343060161.db2.gz CLQWLQUCNJRPBK-UHFFFAOYSA-N 1 0 227.289 1.062 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCOC2)c1 ZINC000070969277 343579196 /nfs/dbraw/zinc/57/91/96/343579196.db2.gz DMSPAMGLMXXEPH-JTQLQIEISA-N 1 0 222.244 1.473 20 5 BDBDRO C[C@H](CNCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000038088056 343942196 /nfs/dbraw/zinc/94/21/96/343942196.db2.gz NRQNILHDCKPZOL-SNVBAGLBSA-N 1 0 237.303 1.635 20 5 BDBDRO CC[C@@H](O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000127381269 344250465 /nfs/dbraw/zinc/25/04/65/344250465.db2.gz RNVNOWGPKKCYFX-LLVKDONJSA-N 1 0 238.287 1.845 20 5 BDBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cn[nH]c2)c1 ZINC000611146434 344265384 /nfs/dbraw/zinc/26/53/84/344265384.db2.gz QGFUSMRSHYIPDS-UHFFFAOYSA-N 1 0 246.270 1.650 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000381388632 344500384 /nfs/dbraw/zinc/50/03/84/344500384.db2.gz RIDWOUGMWGLKGJ-YUMQZZPRSA-N 1 0 237.259 1.060 20 5 BDBDRO Cn1cc(CSCC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000603326277 349924106 /nfs/dbraw/zinc/92/41/06/349924106.db2.gz AIYNNFMKMWJJGA-UHFFFAOYSA-N 1 0 244.320 1.123 20 5 BDBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000136363754 346201169 /nfs/dbraw/zinc/20/11/69/346201169.db2.gz HLDZEFHESYKEKD-UWVGGRQHSA-N 1 0 238.287 1.844 20 5 BDBDRO CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365839616 347195263 /nfs/dbraw/zinc/19/52/63/347195263.db2.gz RZICSKJATPNEAL-UHFFFAOYSA-N 1 0 224.264 1.448 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N(C)CC[NH3+] ZINC000125756929 179207029 /nfs/dbraw/zinc/20/70/29/179207029.db2.gz CFZBXAADJYCLLG-UHFFFAOYSA-N 1 0 209.249 1.298 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)nc1 ZINC000591439890 347661578 /nfs/dbraw/zinc/66/15/78/347661578.db2.gz ZUXMMYWOSMHTFS-ONGXEEELSA-N 1 0 248.286 1.178 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591436936 347660453 /nfs/dbraw/zinc/66/04/53/347660453.db2.gz DHZNNPXCFZKGLG-GHMZBOCLSA-N 1 0 247.298 1.783 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCOC1 ZINC000594502476 348063900 /nfs/dbraw/zinc/06/39/00/348063900.db2.gz OLHBYKXRMFYIQE-BXKDBHETSA-N 1 0 248.282 1.961 20 5 BDBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000595765601 348334384 /nfs/dbraw/zinc/33/43/84/348334384.db2.gz LVMIWPWBABEQCF-JTQLQIEISA-N 1 0 238.291 1.570 20 5 BDBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[NH2+]C1 ZINC000596012796 348429348 /nfs/dbraw/zinc/42/93/48/348429348.db2.gz ANFGDSVDSAKJSI-QMMMGPOBSA-N 1 0 237.259 1.377 20 5 BDBDRO C[C@H](CCNc1ccc([N+](=O)[O-])nc1)[NH+](C)C ZINC000596430850 348545145 /nfs/dbraw/zinc/54/51/45/348545145.db2.gz LDODVYBFWAPOMR-SECBINFHSA-N 1 0 238.291 1.742 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1COC1 ZINC000599012256 349076634 /nfs/dbraw/zinc/07/66/34/349076634.db2.gz QMZDHPVMVHEDOZ-HWKANZROSA-N 1 0 248.282 1.844 20 5 BDBDRO Cc1nc(NC[C@@H](C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296215055 180019045 /nfs/dbraw/zinc/01/90/45/180019045.db2.gz CUPNMCZOWINRGL-SSDOTTSWSA-N 1 0 239.279 1.055 20 5 BDBDRO Cc1nc(N[C@@H](C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000295670663 180022972 /nfs/dbraw/zinc/02/29/72/180022972.db2.gz JWOHYKUIXJXJAU-ZETCQYMHSA-N 1 0 239.279 1.055 20 5 BDBDRO Cc1nn(C[C@H](C)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000330870396 180390190 /nfs/dbraw/zinc/39/01/90/180390190.db2.gz FRUJFFBSZZWJQI-ZETCQYMHSA-N 1 0 226.280 1.358 20 5 BDBDRO Cc1c(NC(=O)[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000035053896 351394085 /nfs/dbraw/zinc/39/40/85/351394085.db2.gz FRCJNFNWJNXDQW-JTQLQIEISA-N 1 0 249.270 1.594 20 5 BDBDRO Cc1c(C[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000061708265 188128104 /nfs/dbraw/zinc/12/81/04/188128104.db2.gz JUEFAVHRKUZMNY-LLVKDONJSA-N 1 0 236.271 1.470 20 5 BDBDRO C[C@@H](NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000235213354 188129271 /nfs/dbraw/zinc/12/92/71/188129271.db2.gz UKXSQOKUWBAEII-ZYHUDNBSSA-N 1 0 249.314 1.997 20 5 BDBDRO CC(C)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000266894664 353701602 /nfs/dbraw/zinc/70/16/02/353701602.db2.gz GBQKWWWFORJDPZ-UHFFFAOYSA-N 1 0 226.280 1.379 20 5 BDBDRO CO[C@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000191200022 355344838 /nfs/dbraw/zinc/34/48/38/355344838.db2.gz UGFLVCWZDCGKQP-SSDOTTSWSA-N 1 0 230.289 1.781 20 5 BDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000088058575 356469004 /nfs/dbraw/zinc/46/90/04/356469004.db2.gz NOEQTBCJDAEFNF-JTQLQIEISA-N 1 0 235.287 1.389 20 5 BDBDRO Cc1c(NC(=O)C2([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000088130043 356530103 /nfs/dbraw/zinc/53/01/03/356530103.db2.gz IFBNUTGZXUQYHC-UHFFFAOYSA-N 1 0 235.243 1.333 20 5 BDBDRO Cc1ccc([C@@H](C)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422917937 192506051 /nfs/dbraw/zinc/50/60/51/192506051.db2.gz GEXNRIVEZWCTEJ-PWSUYJOCSA-N 1 0 249.314 1.916 20 5 BDBDRO O=[N+]([O-])c1cccc(-c2cnn3c2C[NH2+]CC3)c1 ZINC000675078889 538515790 /nfs/dbraw/zinc/51/57/90/538515790.db2.gz AZWCFCDBCKVXKI-UHFFFAOYSA-N 1 0 244.254 1.562 20 5 BDBDRO CN(Cc1csc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000384859514 356780639 /nfs/dbraw/zinc/78/06/39/356780639.db2.gz MPDGWRCMPBHGDH-UHFFFAOYSA-N 1 0 241.316 1.578 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH2+]CC1 ZINC000346640925 357123660 /nfs/dbraw/zinc/12/36/60/357123660.db2.gz KJGKTALTOZNPPC-HYXAFXHYSA-N 1 0 247.298 1.513 20 5 BDBDRO NC(=O)c1ccc(C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000027270981 181294803 /nfs/dbraw/zinc/29/48/03/181294803.db2.gz KOTSKIISADQNOA-UHFFFAOYSA-N 1 0 249.270 1.290 20 5 BDBDRO O=C(NCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000054265968 359760608 /nfs/dbraw/zinc/76/06/08/359760608.db2.gz LUOAHSXLMNUHKL-UHFFFAOYSA-N 1 0 249.270 1.077 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](C)C1 ZINC000088058778 359935243 /nfs/dbraw/zinc/93/52/43/359935243.db2.gz SANIZMPPHDJHML-MNOVXSKESA-N 1 0 249.314 1.950 20 5 BDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCO ZINC000449061592 200720274 /nfs/dbraw/zinc/72/02/74/200720274.db2.gz GSAHUYMCNWDSEI-SNVBAGLBSA-N 1 0 238.287 1.498 20 5 BDBDRO [NH3+]C1(CNCc2csc([N+](=O)[O-])c2)CCC1 ZINC000342109296 181332794 /nfs/dbraw/zinc/33/27/94/181332794.db2.gz REHSLCSFOHPRNM-UHFFFAOYSA-N 1 0 241.316 1.627 20 5 BDBDRO C[NH2+]CCCOc1ccc([N+](=O)[O-])cc1F ZINC000037064774 361623555 /nfs/dbraw/zinc/62/35/55/361623555.db2.gz JQRBVBDMGYVFTL-UHFFFAOYSA-N 1 0 228.223 1.722 20 5 BDBDRO C[NH2+]CCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000435884139 201296208 /nfs/dbraw/zinc/29/62/08/201296208.db2.gz OJOKGHCUBWYUMJ-UHFFFAOYSA-N 1 0 249.314 1.562 20 5 BDBDRO [NH3+]CCCCNc1ccc([N+](=O)[O-])cc1F ZINC000037715019 181377866 /nfs/dbraw/zinc/37/78/66/181377866.db2.gz BXUSNZBNZMASDD-UHFFFAOYSA-N 1 0 227.239 1.885 20 5 BDBDRO Cc1c(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000573967260 364956434 /nfs/dbraw/zinc/95/64/34/364956434.db2.gz ULKVONOQZUEFPR-DTORHVGOSA-N 1 0 249.270 1.579 20 5 BDBDRO [NH3+]CCCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000035697485 181387194 /nfs/dbraw/zinc/38/71/94/181387194.db2.gz BQKXGMOYUSUTQI-UHFFFAOYSA-N 1 0 248.242 1.536 20 5 BDBDRO C[C@@H]([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000111302111 370126142 /nfs/dbraw/zinc/12/61/42/370126142.db2.gz BOGVYVZFLBLNHF-SSDOTTSWSA-N 1 0 238.247 1.064 20 5 BDBDRO CC[C@@H](O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000124308272 371182145 /nfs/dbraw/zinc/18/21/45/371182145.db2.gz VQDASYJCXFNECX-GFCCVEGCSA-N 1 0 238.287 1.845 20 5 BDBDRO [NH3+][C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000050228029 181588695 /nfs/dbraw/zinc/58/86/95/181588695.db2.gz JSZLKMVSKZYBKD-MRVPVSSYSA-N 1 0 227.289 1.189 20 5 BDBDRO Cc1c(CN2C[C@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000601329148 371747245 /nfs/dbraw/zinc/74/72/45/371747245.db2.gz FXORINNROLLVQQ-JOYOIKCWSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1ccccc1[N+](=O)[O-] ZINC000601329857 371749739 /nfs/dbraw/zinc/74/97/39/371749739.db2.gz NKTGFWBJZGPZBD-MWLCHTKSSA-N 1 0 235.287 1.516 20 5 BDBDRO C[C@H]1C[C@H]([NH3+])CN1Cc1ccccc1[N+](=O)[O-] ZINC000601329858 371750231 /nfs/dbraw/zinc/75/02/31/371750231.db2.gz NKTGFWBJZGPZBD-ONGXEEELSA-N 1 0 235.287 1.516 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnn[nH]2)cc1 ZINC000602717207 371832296 /nfs/dbraw/zinc/83/22/96/371832296.db2.gz YEXKJAKYCGPMBH-UHFFFAOYSA-N 1 0 247.258 1.045 20 5 BDBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602824219 371844645 /nfs/dbraw/zinc/84/46/45/371844645.db2.gz YGSNHVIZDSKLLU-WPRPVWTQSA-N 1 0 238.291 1.607 20 5 BDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN ZINC000218198065 372080438 /nfs/dbraw/zinc/08/04/38/372080438.db2.gz OAUXTKHWBHEAKF-SECBINFHSA-N 1 0 223.276 1.074 20 5 BDBDRO O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[NH2+]1 ZINC000236411091 182950206 /nfs/dbraw/zinc/95/02/06/182950206.db2.gz LRAWAWBCABMGGW-LLVKDONJSA-N 1 0 235.287 1.436 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C(F)F)cc1 ZINC000226575618 134366451 /nfs/dbraw/zinc/36/64/51/134366451.db2.gz YXBSRFOIFZVOBR-SECBINFHSA-N 1 0 246.213 1.310 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C(F)F)cc1 ZINC000226575623 134366559 /nfs/dbraw/zinc/36/65/59/134366559.db2.gz YXBSRFOIFZVOBR-VIFPVBQESA-N 1 0 246.213 1.310 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[NH2+]C2)nc1 ZINC000082303998 384117593 /nfs/dbraw/zinc/11/75/93/384117593.db2.gz IEEMJYWGFRUMOC-MRVPVSSYSA-N 1 0 222.248 1.011 20 5 BDBDRO CC[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000048346901 384487194 /nfs/dbraw/zinc/48/71/94/384487194.db2.gz KMVXENXSELZDOE-UHFFFAOYSA-N 1 0 238.287 1.452 20 5 BDBDRO C[C@@H](N[C@H](C)C1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000423011351 384493522 /nfs/dbraw/zinc/49/35/22/384493522.db2.gz AXKZJOGBVYSTDI-NXEZZACHSA-N 1 0 249.314 1.853 20 5 BDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000051886750 384699290 /nfs/dbraw/zinc/69/92/90/384699290.db2.gz QVLIVSXSRFNBPM-NSHDSACASA-N 1 0 236.271 1.409 20 5 BDBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCC2)s1 ZINC000189686106 385269383 /nfs/dbraw/zinc/26/93/83/385269383.db2.gz URHBPTZRDPPAFU-UHFFFAOYSA-N 1 0 242.304 1.559 20 5 BDBDRO Cc1cnc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000168979881 385397079 /nfs/dbraw/zinc/39/70/79/385397079.db2.gz LKUPQNCGHIMELQ-VIFPVBQESA-N 1 0 238.291 1.660 20 5 BDBDRO Cc1ccc(CN[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414866520 385779479 /nfs/dbraw/zinc/77/94/79/385779479.db2.gz FISUDWYPZJOKEU-NSHDSACASA-N 1 0 235.287 1.355 20 5 BDBDRO Cc1ccc(C[NH2+]C2(CO)CC2)cc1[N+](=O)[O-] ZINC000120391989 385904291 /nfs/dbraw/zinc/90/42/91/385904291.db2.gz JTTQIHLSWKGXQK-UHFFFAOYSA-N 1 0 236.271 1.518 20 5 BDBDRO Cc1c(CNCC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000342133465 385865279 /nfs/dbraw/zinc/86/52/79/385865279.db2.gz NONQXIZIOZUXEI-UHFFFAOYSA-N 1 0 249.314 1.874 20 5 BDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000262596016 386409217 /nfs/dbraw/zinc/40/92/17/386409217.db2.gz JDHNSMZHDMNKFS-LURJTMIESA-N 1 0 243.288 1.076 20 5 BDBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000262596017 386409227 /nfs/dbraw/zinc/40/92/27/386409227.db2.gz JDHNSMZHDMNKFS-ZCFIWIBFSA-N 1 0 243.288 1.076 20 5 BDBDRO C[C@H](C[NH3+])NCc1csc([N+](=O)[O-])c1 ZINC000414922120 386591488 /nfs/dbraw/zinc/59/14/88/386591488.db2.gz BYBPDUWCMIWPCK-ZCFIWIBFSA-N 1 0 215.278 1.093 20 5 BDBDRO C[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035115413 387045122 /nfs/dbraw/zinc/04/51/22/387045122.db2.gz NHQNKNHXBZGXPA-BDAKNGLRSA-N 1 0 224.260 1.626 20 5 BDBDRO C[C@@H]1[NH2+]CCN(Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000346648873 387356557 /nfs/dbraw/zinc/35/65/57/387356557.db2.gz BNPKTWUBTAJNGX-QWRGUYRKSA-N 1 0 249.314 1.777 20 5 BDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC1(C)C ZINC000355340805 387521009 /nfs/dbraw/zinc/52/10/09/387521009.db2.gz XEOBBTVDAGONRX-UHFFFAOYSA-N 1 0 238.291 1.703 20 5 BDBDRO Cc1ccc(CN[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415006670 387652746 /nfs/dbraw/zinc/65/27/46/387652746.db2.gz KUVYATSCWWODQV-VHSXEESVSA-N 1 0 237.303 1.729 20 5 BDBDRO C[C@@H]([NH3+])[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000415018680 387663322 /nfs/dbraw/zinc/66/33/22/387663322.db2.gz QYRVVHSHDHTIQC-HTQZYQBOSA-N 1 0 241.266 1.559 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]C[C@H]1C ZINC000347025606 387815498 /nfs/dbraw/zinc/81/54/98/387815498.db2.gz SSABRMCYJLGJOX-LLVKDONJSA-N 1 0 249.314 1.697 20 5 BDBDRO Cc1ccc(CN2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000347044389 387921140 /nfs/dbraw/zinc/92/11/40/387921140.db2.gz NBKCAJVCDBTSDP-LBPRGKRZSA-N 1 0 249.314 1.684 20 5 BDBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000228067793 388377709 /nfs/dbraw/zinc/37/77/09/388377709.db2.gz JKGOCBMPQIOHMM-UWVGGRQHSA-N 1 0 238.287 1.844 20 5 BDBDRO C[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000122352335 388381505 /nfs/dbraw/zinc/38/15/05/388381505.db2.gz BPPZUOPDGARBGB-QMMMGPOBSA-N 1 0 242.250 1.547 20 5 BDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000133748302 388389372 /nfs/dbraw/zinc/38/93/72/388389372.db2.gz QTLJDUBJWNGNNQ-SFYZADRCSA-N 1 0 237.259 1.517 20 5 BDBDRO C[C@H]([NH2+]CCN1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358341512 388398226 /nfs/dbraw/zinc/39/82/26/388398226.db2.gz OGKHQDNVVDUYSJ-NSHDSACASA-N 1 0 249.314 1.951 20 5 BDBDRO CC[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000077453800 388675885 /nfs/dbraw/zinc/67/58/85/388675885.db2.gz XGJUSXGPYBDZIQ-LLVKDONJSA-N 1 0 238.287 1.845 20 5 BDBDRO C[C@H](N[C@@H](C)C1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422951492 388687402 /nfs/dbraw/zinc/68/74/02/388687402.db2.gz YTIHFZCFPNFKKN-UWVGGRQHSA-N 1 0 249.314 1.853 20 5 BDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000423217610 388688243 /nfs/dbraw/zinc/68/82/43/388688243.db2.gz SDQTUCXUHUUWOF-ZYHUDNBSSA-N 1 0 249.314 1.477 20 5 BDBDRO C[C@@H](N[C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423269806 388689264 /nfs/dbraw/zinc/68/92/64/388689264.db2.gz FXAXFELLMRNYKA-NOZJJQNGSA-N 1 0 249.314 1.983 20 5 BDBDRO C[C@@H](N[C@H](C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423268791 388690156 /nfs/dbraw/zinc/69/01/56/388690156.db2.gz DYRKTWCAZIMZPY-NOZJJQNGSA-N 1 0 249.314 1.983 20 5 BDBDRO Cc1ccc([C@H](C)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423333250 388691020 /nfs/dbraw/zinc/69/10/20/388691020.db2.gz RIMHCEPQQXZFKK-ZJUUUORDSA-N 1 0 237.303 1.901 20 5 BDBDRO C[C@H](C[NH3+])N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423331963 388691841 /nfs/dbraw/zinc/69/18/41/388691841.db2.gz QLWNYVFQJUZHJO-NOZJJQNGSA-N 1 0 249.314 1.909 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000375811548 388720872 /nfs/dbraw/zinc/72/08/72/388720872.db2.gz WNFXZJRWUQNLEY-CNDDSTCGSA-N 1 0 248.282 1.577 20 5 BDBDRO C[C@@H]([NH2+]CCO)c1ccccc1[N+](=O)[O-] ZINC000020596831 388778664 /nfs/dbraw/zinc/77/86/64/388778664.db2.gz BFDQDPZQUCQCJM-MRVPVSSYSA-N 1 0 210.233 1.238 20 5 BDBDRO [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000097092789 388834042 /nfs/dbraw/zinc/83/40/42/388834042.db2.gz FWNJZVKQTIHQCT-IUCAKERBSA-N 1 0 249.270 1.661 20 5 BDBDRO Cc1nc(N2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000124094314 132228094 /nfs/dbraw/zinc/22/80/94/132228094.db2.gz IMPGRAKQWNSMFH-VIFPVBQESA-N 1 0 236.275 1.226 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH3+])C2)c1 ZINC000087151056 135107867 /nfs/dbraw/zinc/10/78/67/135107867.db2.gz VCFBWIDWNIAVLK-VIFPVBQESA-N 1 0 221.260 1.441 20 5 BDBDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000087129378 135107888 /nfs/dbraw/zinc/10/78/88/135107888.db2.gz PROVGHWHUYXLJI-RKDXNWHRSA-N 1 0 224.260 1.454 20 5 BDBDRO C[NH2+]CCNc1c(F)cccc1[N+](=O)[O-] ZINC000261538928 135177204 /nfs/dbraw/zinc/17/72/04/135177204.db2.gz ZVDJKNKQCIYBMD-UHFFFAOYSA-N 1 0 213.212 1.365 20 5 BDBDRO C[C@@H]1[C@@H]([NH3+])CCN1c1ccccc1[N+](=O)[O-] ZINC000261563871 135206198 /nfs/dbraw/zinc/20/61/98/135206198.db2.gz CEBGSAGHMMVQPK-BDAKNGLRSA-N 1 0 221.260 1.521 20 5 BDBDRO C[C@@H]1C[NH2+]CC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000261573774 135215650 /nfs/dbraw/zinc/21/56/50/135215650.db2.gz MLFOJOPIGKKYRF-ZWNOBZJWSA-N 1 0 249.314 1.682 20 5 BDBDRO Cc1cccc(N2CC[C@@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC000261547839 135241149 /nfs/dbraw/zinc/24/11/49/135241149.db2.gz IRSMMEMFNMVZAS-NXEZZACHSA-N 1 0 235.287 1.829 20 5 BDBDRO Cc1c(CN2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000088060268 135514900 /nfs/dbraw/zinc/51/49/00/135514900.db2.gz NLNSGPLDHIFACV-JTQLQIEISA-N 1 0 249.314 1.697 20 5 BDBDRO CC1(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000390553851 398042676 /nfs/dbraw/zinc/04/26/76/398042676.db2.gz PSGBFLHIITZJQK-UHFFFAOYSA-N 1 0 224.264 1.181 20 5 BDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000086466614 411405780 /nfs/dbraw/zinc/40/57/80/411405780.db2.gz DDTIGYXZXOLBTF-GHMZBOCLSA-N 1 0 249.314 1.777 20 5 BDBDRO C[NH+](C)C(C)(C)CNc1ncc([N+](=O)[O-])s1 ZINC000226771601 172397074 /nfs/dbraw/zinc/39/70/74/172397074.db2.gz RPTYATOUNIPGAE-UHFFFAOYSA-N 1 0 244.320 1.803 20 5 BDBDRO C[NH2+]CCN(C)c1cccc(OC)c1[N+](=O)[O-] ZINC000134894408 173353790 /nfs/dbraw/zinc/35/37/90/173353790.db2.gz KKLCOUJOCSRYFN-UHFFFAOYSA-N 1 0 239.275 1.259 20 5 BDBDRO C[NH2+]CCNc1ccc([N+](=O)[O-])cc1F ZINC000054244752 173356690 /nfs/dbraw/zinc/35/66/90/173356690.db2.gz HMELSZMGGRZVLT-UHFFFAOYSA-N 1 0 213.212 1.365 20 5 BDBDRO C[NH2+]CCNc1cccc(C)c1[N+](=O)[O-] ZINC000234386794 173356714 /nfs/dbraw/zinc/35/67/14/173356714.db2.gz QKSLOCSAPDBQNC-UHFFFAOYSA-N 1 0 209.249 1.535 20 5 BDBDRO C[NH2+]C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000071147817 173370290 /nfs/dbraw/zinc/37/02/90/173370290.db2.gz JPJJJUWSDNZEAQ-JTQLQIEISA-N 1 0 235.287 1.641 20 5 BDBDRO C[NH2+]C[C@H](C)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000129515856 173375425 /nfs/dbraw/zinc/37/54/25/173375425.db2.gz IVSOMCNCLCLLHU-QMMMGPOBSA-N 1 0 238.291 1.566 20 5 BDBDRO COCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000082829129 174335042 /nfs/dbraw/zinc/33/50/42/174335042.db2.gz WQHLZLKCYAWOPE-UHFFFAOYSA-N 1 0 244.678 1.984 20 5 BDBDRO COc1cc(N[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111051353 175004831 /nfs/dbraw/zinc/00/48/31/175004831.db2.gz NQHOZQVSVUJYJO-VIFPVBQESA-N 1 0 237.259 1.377 20 5 BDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000310110373 175672761 /nfs/dbraw/zinc/67/27/61/175672761.db2.gz FHHWHZJBKZKZJW-QMMMGPOBSA-N 1 0 237.259 1.062 20 5 BDBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000339562929 176296655 /nfs/dbraw/zinc/29/66/55/176296655.db2.gz OWZZQFCLJUXDLB-RKDXNWHRSA-N 1 0 224.264 1.132 20 5 BDBDRO C[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000355339048 176301268 /nfs/dbraw/zinc/30/12/68/176301268.db2.gz HSSXANMUMDSVQQ-DTORHVGOSA-N 1 0 238.291 1.416 20 5 BDBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000070075123 176307337 /nfs/dbraw/zinc/30/73/37/176307337.db2.gz LZHOWRCRLSDLOY-GHMZBOCLSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235360083 176317928 /nfs/dbraw/zinc/31/79/28/176317928.db2.gz FAQKFBHLVXCHQD-FOGDFJRCSA-N 1 0 249.314 1.935 20 5 BDBDRO C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157321558 177100582 /nfs/dbraw/zinc/10/05/82/177100582.db2.gz CPSWHYPAHBIAAQ-JTQLQIEISA-N 1 0 238.291 1.523 20 5 BDBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330393788 177126466 /nfs/dbraw/zinc/12/64/66/177126466.db2.gz CGMASFOHXMJEDZ-IUCAKERBSA-N 1 0 238.291 1.607 20 5 BDBDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000340946943 177374125 /nfs/dbraw/zinc/37/41/25/177374125.db2.gz CQRPPWSOXVPCGZ-ONGXEEELSA-N 1 0 236.271 1.550 20 5 BDBDRO C[C@@H]([NH3+])C[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000566229936 322976563 /nfs/dbraw/zinc/97/65/63/322976563.db2.gz VDIBGWKYQOIBQO-HTQZYQBOSA-N 1 0 243.332 1.872 20 5 BDBDRO Cc1nn(CC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000571914950 323507936 /nfs/dbraw/zinc/50/79/36/323507936.db2.gz PRCOEJNQPPLVHS-SNVBAGLBSA-N 1 0 238.291 1.489 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567892057 326277577 /nfs/dbraw/zinc/27/75/77/326277577.db2.gz YYSXUCSXHDWGBK-DTORHVGOSA-N 1 0 249.270 1.579 20 5 BDBDRO CC1(C)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000551529799 517511283 /nfs/dbraw/zinc/51/12/83/517511283.db2.gz JEUHWNVSKFDUEF-SNVBAGLBSA-N 1 0 238.291 1.570 20 5 BDBDRO C[NH2+][C@@H](C)CNc1ccc([N+](=O)[O-])cn1 ZINC000261536897 536345107 /nfs/dbraw/zinc/34/51/07/536345107.db2.gz UDSXPTAIUWXFME-ZETCQYMHSA-N 1 0 210.237 1.010 20 5 BDBDRO C[NH2+][C@H](C)CNc1cccc(OC)c1[N+](=O)[O-] ZINC000261547431 536404413 /nfs/dbraw/zinc/40/44/13/536404413.db2.gz HZWDBPPBODTCIV-MRVPVSSYSA-N 1 0 239.275 1.623 20 5 BDBDRO CN1CC[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000895770978 583724978 /nfs/dbraw/zinc/72/49/78/583724978.db2.gz FFGYTTYABVXZEV-SSDOTTSWSA-N 1 0 227.289 1.772 20 5 BDBDRO C[NH+](C)C1(CNCC[N+](=O)[O-])CCCCCC1 ZINC000899861345 584242775 /nfs/dbraw/zinc/24/27/75/584242775.db2.gz YHYNLJIACMTJPC-UHFFFAOYSA-N 1 0 243.351 1.507 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000899891261 584246235 /nfs/dbraw/zinc/24/62/35/584246235.db2.gz NLIBKROCMUMYAM-SNVBAGLBSA-N 1 0 228.292 1.345 20 5 BDBDRO COCc1csc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000899892224 584248576 /nfs/dbraw/zinc/24/85/76/584248576.db2.gz ORIOBPVOJLEBGP-UHFFFAOYSA-N 1 0 230.289 1.261 20 5 BDBDRO [NH3+]CCSc1c(Cl)cncc1[N+](=O)[O-] ZINC000900021636 584267352 /nfs/dbraw/zinc/26/73/52/584267352.db2.gz LBHGOKABZMESKG-UHFFFAOYSA-N 1 0 233.680 1.694 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000903960514 584828010 /nfs/dbraw/zinc/82/80/10/584828010.db2.gz NNBRVCFENMEULP-BXKDBHETSA-N 1 0 235.287 1.292 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782623122 585823014 /nfs/dbraw/zinc/82/30/14/585823014.db2.gz YWWBWDXJGGJJRO-WCQYABFASA-N 1 0 248.282 1.409 20 5 BDBDRO O=[N+]([O-])CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000791053026 585972726 /nfs/dbraw/zinc/97/27/26/585972726.db2.gz GQDJEMYUHRTQKH-UHFFFAOYSA-N 1 0 249.314 1.081 20 5 BDBDRO C[N@H+](CC[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000791053139 585973368 /nfs/dbraw/zinc/97/33/68/585973368.db2.gz IKJCEVXGOMKULF-LBPRGKRZSA-N 1 0 220.272 1.882 20 5 BDBDRO C[N@H+](CC[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000791053133 585973392 /nfs/dbraw/zinc/97/33/92/585973392.db2.gz IKJCEVXGOMKULF-GFCCVEGCSA-N 1 0 220.272 1.882 20 5 BDBDRO CCO[C@H]1C[C@@H]([N@H+](C)CC[N+](=O)[O-])C1(C)C ZINC000798197736 586140516 /nfs/dbraw/zinc/14/05/16/586140516.db2.gz UMNACTBUKNWHLW-ZJUUUORDSA-N 1 0 230.308 1.399 20 5 BDBDRO C[C@H](C[N+](=O)[O-])OC(=O)C[C@H](C)n1ccnc1 ZINC000845578637 588233974 /nfs/dbraw/zinc/23/39/74/588233974.db2.gz ZZDIRRCAXWRXRO-DTWKUNHWSA-N 1 0 241.247 1.043 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)O ZINC000873006643 589978933 /nfs/dbraw/zinc/97/89/33/589978933.db2.gz NNYXMQKWDOTBNR-VIFPVBQESA-N 1 0 238.287 1.682 20 5 BDBDRO C[NH+](C)CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881736894 591268308 /nfs/dbraw/zinc/26/83/08/591268308.db2.gz KKSMXRDFDBCKRL-UHFFFAOYSA-N 1 0 228.227 1.102 20 5 BDBDRO Cc1ccc(NC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000133775505 591856237 /nfs/dbraw/zinc/85/62/37/591856237.db2.gz LYPOYJALRAYYNX-SNVBAGLBSA-N 1 0 235.287 1.925 20 5 BDBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1CC1 ZINC000885958341 592115755 /nfs/dbraw/zinc/11/57/55/592115755.db2.gz GLLOZRGHOWIHNV-UHFFFAOYSA-N 1 0 221.260 1.832 20 5 BDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886346479 592213467 /nfs/dbraw/zinc/21/34/67/592213467.db2.gz JNUDNBKZKHXBNL-NTZNESFSSA-N 1 0 248.282 1.580 20 5 BDBDRO CC(C)(C)[C@@H]1CSCC[N@@H+]1CC[N+](=O)[O-] ZINC000931591575 634607714 /nfs/dbraw/zinc/60/77/14/634607714.db2.gz CMSXMDDHXKVMIL-VIFPVBQESA-N 1 0 232.349 1.727 20 5 BDBDRO [NH2+]=C(NCc1cccc([N+](=O)[O-])c1)NC1CC1 ZINC000052345274 632131132 /nfs/dbraw/zinc/13/11/32/632131132.db2.gz FCKUNGZCRLNGMC-UHFFFAOYSA-N 1 0 234.259 1.371 20 5 BDBDRO C[C@@H]1SCC[N@H+](CC[N+](=O)[O-])[C@H]1C ZINC000306333064 636818351 /nfs/dbraw/zinc/81/83/51/636818351.db2.gz DSOPXRXUMFGEIN-YUMQZZPRSA-N 1 0 204.295 1.089 20 5 BDBDRO C[C@H]1CCCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000899877186 637146508 /nfs/dbraw/zinc/14/65/08/637146508.db2.gz XCFBVYGJYQDKOA-VHSXEESVSA-N 1 0 200.282 1.679 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000899887422 637149481 /nfs/dbraw/zinc/14/94/81/637149481.db2.gz SXYGKVOBDWAVFA-NSHDSACASA-N 1 0 240.303 1.154 20 5 BDBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000904451523 637416348 /nfs/dbraw/zinc/41/63/48/637416348.db2.gz YVOXVXFXRJILFN-UHFFFAOYSA-N 1 0 239.250 1.315 20 5 BDBDRO Cc1ccc(CNCC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000904450296 637417471 /nfs/dbraw/zinc/41/74/71/637417471.db2.gz RAEAGQOCFUWMSS-UHFFFAOYSA-N 1 0 235.287 1.484 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1Cc2ccccc21 ZINC000905053176 637569418 /nfs/dbraw/zinc/56/94/18/637569418.db2.gz YVNLBBJTMTWHHC-SNVBAGLBSA-N 1 0 206.245 1.193 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCOc1ccccc1 ZINC000905025537 637573458 /nfs/dbraw/zinc/57/34/58/637573458.db2.gz LJJZHXBYKZXGSI-UHFFFAOYSA-N 1 0 224.260 1.322 20 5 BDBDRO CCCC[N@@H+]1CCCC[C@H]1CNCC[N+](=O)[O-] ZINC000905083541 637581952 /nfs/dbraw/zinc/58/19/52/637581952.db2.gz WEUYFVNWPQHKCI-LBPRGKRZSA-N 1 0 243.351 1.507 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1cccc(F)c1F ZINC000905108159 637615762 /nfs/dbraw/zinc/61/57/62/637615762.db2.gz DVRNEPGBTGDJEA-UHFFFAOYSA-N 1 0 230.214 1.374 20 5 BDBDRO Cc1cccc(O[C@@H](C)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905135279 637645575 /nfs/dbraw/zinc/64/55/75/637645575.db2.gz JOUVZJWIZCNIGA-NSHDSACASA-N 1 0 238.287 1.629 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000905140610 637647953 /nfs/dbraw/zinc/64/79/53/637647953.db2.gz XGWQLUWPQXZFCS-UHFFFAOYSA-N 1 0 239.231 1.004 20 5 BDBDRO C[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C[C@@H](C)C1 ZINC000905138716 637648619 /nfs/dbraw/zinc/64/86/19/637648619.db2.gz VPUMBFBPFZEZKU-MYJAWHEDSA-N 1 0 200.282 1.677 20 5 BDBDRO CCS[C@@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905147726 637656867 /nfs/dbraw/zinc/65/68/67/637656867.db2.gz LTORXYPZGWODJW-VHSXEESVSA-N 1 0 232.349 1.917 20 5 BDBDRO CC(C)CSCCC[NH2+]CC[N+](=O)[O-] ZINC000905186956 637669329 /nfs/dbraw/zinc/66/93/29/637669329.db2.gz JWRJACPIKOKOPN-UHFFFAOYSA-N 1 0 220.338 1.632 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000905174129 637683379 /nfs/dbraw/zinc/68/33/79/637683379.db2.gz DLEKZSZXIPIFNC-YNEHKIRRSA-N 1 0 232.283 1.581 20 5 BDBDRO COc1ccc(C[NH2+]CC[N+](=O)[O-])cc1Cl ZINC000905177883 637685284 /nfs/dbraw/zinc/68/52/84/637685284.db2.gz YKUCBMKOXGPFDA-UHFFFAOYSA-N 1 0 244.678 1.715 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000905176453 637685357 /nfs/dbraw/zinc/68/53/57/637685357.db2.gz RVOKIYPNVDPWDY-SSDOTTSWSA-N 1 0 208.208 1.431 20 5 BDBDRO CC(C)(C)OC(=O)CCCC[NH2+]CC[N+](=O)[O-] ZINC000905199593 637694024 /nfs/dbraw/zinc/69/40/24/637694024.db2.gz HODWQWKDDVAXMQ-UHFFFAOYSA-N 1 0 246.307 1.365 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCCS1 ZINC000905203546 637695301 /nfs/dbraw/zinc/69/53/01/637695301.db2.gz LNDYBAUSMDALSW-QMMMGPOBSA-N 1 0 204.295 1.138 20 5 BDBDRO C[C@@H]1CCC[C@H](C[NH2+]CC[N+](=O)[O-])[C@@H]1C ZINC000905247409 637707066 /nfs/dbraw/zinc/70/70/66/637707066.db2.gz JKAOVHJDNXIWNJ-GMTAPVOTSA-N 1 0 214.309 1.925 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])C1CCC1 ZINC000905271434 637730342 /nfs/dbraw/zinc/73/03/42/637730342.db2.gz CLUZPZHJELPTBY-UHFFFAOYSA-N 1 0 200.282 1.679 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000905384236 637783801 /nfs/dbraw/zinc/78/38/01/637783801.db2.gz VEMSFONXZLDDNZ-GRYCIOLGSA-N 1 0 236.246 1.330 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1cccc2c1CCOC2 ZINC000905402239 637797101 /nfs/dbraw/zinc/79/71/01/637797101.db2.gz AJENIHGVQVNCAU-UHFFFAOYSA-N 1 0 236.271 1.126 20 5 BDBDRO C[NH2+]CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000043598939 638628550 /nfs/dbraw/zinc/62/85/50/638628550.db2.gz FADHPAQWCNGQLX-UHFFFAOYSA-N 1 0 248.242 1.407 20 5 BDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])C1CCOCC1 ZINC000930238848 639646778 /nfs/dbraw/zinc/64/67/78/639646778.db2.gz GDAJZLJKALMAKJ-JTQLQIEISA-N 1 0 216.281 1.058 20 5 BDBDRO CCOC1CC2(C1)CC[N@H+](CC[N+](=O)[O-])C2 ZINC000930466357 639767547 /nfs/dbraw/zinc/76/75/47/639767547.db2.gz JLDWDOADFZUQIE-UHFFFAOYSA-N 1 0 228.292 1.154 20 5 BDBDRO C[C@H]1CN(CC[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000930561356 639811504 /nfs/dbraw/zinc/81/15/04/639811504.db2.gz XAGOZBLGVLPSAR-NSHDSACASA-N 1 0 241.335 1.069 20 5 BDBDRO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000930612482 639821293 /nfs/dbraw/zinc/82/12/93/639821293.db2.gz QTYISKCVHWQHKZ-IJLUTSLNSA-N 1 0 242.319 1.279 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000931026027 640028111 /nfs/dbraw/zinc/02/81/11/640028111.db2.gz OMRBCGVGSIISQX-RYUDHWBXSA-N 1 0 242.319 1.544 20 5 BDBDRO Cc1cncc([C@H]2CCCN2CC[N+](=O)[O-])c1 ZINC000931566398 640275590 /nfs/dbraw/zinc/27/55/90/640275590.db2.gz DNKGSRHIOFQBMS-GFCCVEGCSA-N 1 0 235.287 1.804 20 5 BDBDRO Cc1csc([C@@H]2CCN(CC[N+](=O)[O-])C2)n1 ZINC000931614711 640291070 /nfs/dbraw/zinc/29/10/70/640291070.db2.gz BTBSFKGHTGKWJH-SECBINFHSA-N 1 0 241.316 1.518 20 5 BDBDRO COc1ccc([C@@H](C)[NH2+]CC[N+](=O)[O-])cc1C ZINC000933485015 640721380 /nfs/dbraw/zinc/72/13/80/640721380.db2.gz YMIKUXXGXNYGJU-SNVBAGLBSA-N 1 0 238.287 1.931 20 5 BDBDRO Cc1nn(C[C@@H]2CCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000915323216 641820298 /nfs/dbraw/zinc/82/02/98/641820298.db2.gz YDKADPFXJBTFBC-JTQLQIEISA-N 1 0 238.291 1.502 20 5 BDBDRO C[NH+](C)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000071531616 643152702 /nfs/dbraw/zinc/15/27/02/643152702.db2.gz LFPUCZLMQNZEFO-UHFFFAOYSA-N 1 0 224.264 1.151 20 5 BDBDRO CN(CC(C)(C)C[NH3+])c1ccc([N+](=O)[O-])nc1 ZINC000093874621 644045376 /nfs/dbraw/zinc/04/53/76/644045376.db2.gz MHLGVTTTXMVFDP-UHFFFAOYSA-N 1 0 238.291 1.411 20 5 BDBDRO C[N@H+](CCCc1ccccc1)CC[N+](=O)[O-] ZINC000929263309 646045035 /nfs/dbraw/zinc/04/50/35/646045035.db2.gz LDNTWKNBOCHCTF-UHFFFAOYSA-N 1 0 222.288 1.828 20 5 BDBDRO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000929891780 646368519 /nfs/dbraw/zinc/36/85/19/646368519.db2.gz RLVUSQNFAQVKSG-LBPRGKRZSA-N 1 0 236.271 1.806 20 5 BDBDRO COc1cccc([C@@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC000930188992 646483770 /nfs/dbraw/zinc/48/37/70/646483770.db2.gz HKUSZGXIMDBHET-SECBINFHSA-N 1 0 224.260 1.623 20 5 BDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000930190346 646484015 /nfs/dbraw/zinc/48/40/15/646484015.db2.gz ULMFSUXQNFWHQT-MRVPVSSYSA-N 1 0 238.243 1.343 20 5 BDBDRO CC[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000044626024 711724416 /nfs/dbraw/zinc/72/44/16/711724416.db2.gz MGIOOSZTQHEOAV-UHFFFAOYSA-N 1 0 248.242 1.754 20 5 BDBDRO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000712596154 712436002 /nfs/dbraw/zinc/43/60/02/712436002.db2.gz UHMFAJMKQVWDOL-MRVPVSSYSA-N 1 0 222.248 1.106 20 5 BDBDRO Cc1nc(NC[C@@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000712608361 712437394 /nfs/dbraw/zinc/43/73/94/712437394.db2.gz SGZMFVJBCIZCDV-VIFPVBQESA-N 1 0 236.275 1.414 20 5 BDBDRO CCN1CC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000712527885 712441257 /nfs/dbraw/zinc/44/12/57/712441257.db2.gz IFOVXHSBOSFSLI-ZDUSSCGKSA-N 1 0 249.314 1.779 20 5 BDBDRO Cc1ccc(CN2C[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000714028685 712477366 /nfs/dbraw/zinc/47/73/66/712477366.db2.gz HPQGPWBCMOMWBG-PWSUYJOCSA-N 1 0 249.314 1.825 20 5 BDBDRO Cc1ccc(Cn2ccnc2C[NH3+])cc1[N+](=O)[O-] ZINC000714020091 712477485 /nfs/dbraw/zinc/47/74/85/712477485.db2.gz NMHBWAMGERISFB-UHFFFAOYSA-N 1 0 246.270 1.607 20 5 BDBDRO Cc1c(C[NH2+][C@]23C[C@H]2COC3)cccc1[N+](=O)[O-] ZINC000718018820 712736823 /nfs/dbraw/zinc/73/68/23/712736823.db2.gz XDVWCLDGUQPMQR-AAEUAGOBSA-N 1 0 248.282 1.782 20 5 BDBDRO C[C@@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000719598558 712813108 /nfs/dbraw/zinc/81/31/08/712813108.db2.gz IDKZRPJWQXLXEC-MFKMUULPSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000719601987 712815694 /nfs/dbraw/zinc/81/56/94/712815694.db2.gz NZUILJXEYCAINX-ZWNOBZJWSA-N 1 0 249.314 1.777 20 5 BDBDRO CCOC(=O)[C@@H](CC(C)C)OCC[N+](C)(C)C ZINC001224772471 964935479 /nfs/dbraw/zinc/93/54/79/964935479.db2.gz ABPKNTMESWYVSO-GFCCVEGCSA-N 1 0 246.371 1.687 20 5 BDBDRO CCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168961918 969312593 /nfs/dbraw/zinc/31/25/93/969312593.db2.gz LEDIBSHKSSNWQS-VHSXEESVSA-N 1 0 200.282 1.822 20 5 BDBDRO CC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168960631 969309818 /nfs/dbraw/zinc/30/98/18/969309818.db2.gz FYXQIFAIWLYXMI-MNOVXSKESA-N 1 0 242.319 1.591 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCOC[C@@H]2F)C1 ZINC001169002618 969327744 /nfs/dbraw/zinc/32/77/44/969327744.db2.gz LHDMZWLEBCTNJX-ZNSHCXBVSA-N 1 0 246.282 1.148 20 5 BDBDRO CC1(C)COCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037703 969357953 /nfs/dbraw/zinc/35/79/53/969357953.db2.gz SXMMAXQIQCWPLK-WDEREUQCSA-N 1 0 242.319 1.543 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ncncc1F ZINC001226711529 975045224 /nfs/dbraw/zinc/04/52/24/975045224.db2.gz SYRPAJGKZPMRNJ-MRVPVSSYSA-N 1 0 214.264 1.089 20 5 BDBDRO COCC[N@H+](CC[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC001332980982 975354310 /nfs/dbraw/zinc/35/43/10/975354310.db2.gz OVESKXKKTZVXSH-GHMZBOCLSA-N 1 0 230.308 1.400 20 5 BDBDRO CS[C@H]1CC[C@@H]([N@H+](C)CC[N+](=O)[O-])C1 ZINC001333832380 976113463 /nfs/dbraw/zinc/11/34/63/976113463.db2.gz GIXFVQASLRNLMC-BDAKNGLRSA-N 1 0 218.322 1.479 20 5 BDBDRO Cc1ccc([C@@H](C)[NH2+]CC[N+](=O)[O-])s1 ZINC001334059058 976258885 /nfs/dbraw/zinc/25/88/85/976258885.db2.gz YZIKLRRWMYLYFR-MRVPVSSYSA-N 1 0 214.290 1.984 20 5 BDBDRO CC(C)(C)[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC001341025794 979202654 /nfs/dbraw/zinc/20/26/54/979202654.db2.gz PFWUCLFZYVRNJM-SECBINFHSA-N 1 0 200.282 1.631 20 5 BDBDRO COc1cc([N+](=O)[O-])cnc1NCC(C)(C)[NH3+] ZINC001171184825 972822505 /nfs/dbraw/zinc/82/25/05/972822505.db2.gz BCECHUZQERJZTI-UHFFFAOYSA-N 1 0 240.263 1.148 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OC[C@H]1CCOC1 ZINC001224476419 973688641 /nfs/dbraw/zinc/68/86/41/973688641.db2.gz MBGCVRJFVRHUID-MNOVXSKESA-N 1 0 202.318 1.134 20 5 BDBDRO CCCCOC(=O)[C@@H](C)OCCC[N+](C)(C)C ZINC001224622942 973806084 /nfs/dbraw/zinc/80/60/84/973806084.db2.gz JBGJKKAZEMAZDV-GFCCVEGCSA-N 1 0 246.371 1.831 20 5 BDBDRO CCCCOC(=O)[C@@H](C)OCC[N+](C)(C)C ZINC001224771295 973938908 /nfs/dbraw/zinc/93/89/08/973938908.db2.gz IRNBVCCJWWXHFZ-LLVKDONJSA-N 1 0 232.344 1.441 20 5 BDBDRO O=[N+]([O-])C[C@H](OC[C@H]1CCC[NH2+]C1)C1CC1 ZINC001217879016 971475106 /nfs/dbraw/zinc/47/51/06/971475106.db2.gz LYMRMENABMOXBI-ONGXEEELSA-N 1 0 228.292 1.058 20 5 BDBDRO Cc1cc(O[C@H]2CC[NH2+]C2)cc(C)c1[N+](=O)[O-] ZINC001218181201 971614818 /nfs/dbraw/zinc/61/48/18/971614818.db2.gz IYSKIINNEIGHPF-JTQLQIEISA-N 1 0 236.271 1.952 20 5 BDBDRO Cc1cc(F)c(O[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218184148 971620854 /nfs/dbraw/zinc/62/08/54/971620854.db2.gz ZPDRLWUPCFEFII-QMMMGPOBSA-N 1 0 240.234 1.783 20 5 BDBDRO [NH3+]Cc1cccc(O[C@H](C[N+](=O)[O-])C2CC2)c1 ZINC001218327572 971711335 /nfs/dbraw/zinc/71/13/35/971711335.db2.gz BQIRVLMNHANALB-GFCCVEGCSA-N 1 0 236.271 1.579 20 5 BDBDRO CC[C@@]([NH3+])(CO)Nc1c(C)cccc1[N+](=O)[O-] ZINC001170865524 971996050 /nfs/dbraw/zinc/99/60/50/971996050.db2.gz NTQRGMVNKWFBKV-NSHDSACASA-N 1 0 239.275 1.372 20 5 BDBDRO CC[C@]([NH3+])(CO)Nc1cccc(C)c1[N+](=O)[O-] ZINC001170866493 972003766 /nfs/dbraw/zinc/00/37/66/972003766.db2.gz XHVQRMWNJLJGEU-LLVKDONJSA-N 1 0 239.275 1.372 20 5 BDBDRO Nc1c[nH+]cn1-c1ccc(F)cc1[N+](=O)[O-] ZINC001210952251 957957314 /nfs/dbraw/zinc/95/73/14/957957314.db2.gz CSQUFRGPXROXSU-UHFFFAOYSA-N 1 0 222.179 1.502 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCCC(=O)OC(C)(C)C ZINC001222194611 972405827 /nfs/dbraw/zinc/40/58/27/972405827.db2.gz XGYVREFLIBKQRH-NSHDSACASA-N 1 0 246.371 1.830 20 5 BDBDRO C[NH2+]CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001167723758 960231104 /nfs/dbraw/zinc/23/11/04/960231104.db2.gz AOYOUPSMCYTUNN-UHFFFAOYSA-N 1 0 246.270 1.774 20 5 BDBDRO COc1cc(C)c([N+](=O)[O-])cc1NC=[NH2+] ZINC001167868156 961361123 /nfs/dbraw/zinc/36/11/23/961361123.db2.gz GSQULTWRBKQVQK-UHFFFAOYSA-N 1 0 209.205 1.931 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1-n1ccc([C@H](C)[NH3+])n1 ZINC001158345421 963848777 /nfs/dbraw/zinc/84/87/77/963848777.db2.gz MPQZISJHAQOWPR-QMMMGPOBSA-N 1 0 247.258 1.504 20 5 BDBDRO O=[N+]([O-])c1cccc(N2CCC3(C[NH2+]C3)CC2)n1 ZINC001159042147 963980874 /nfs/dbraw/zinc/98/08/74/963980874.db2.gz PJMYYJUIACFGKJ-UHFFFAOYSA-N 1 0 248.286 1.180 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1-n1cc(C[NH3+])cn1 ZINC001168262307 964084073 /nfs/dbraw/zinc/08/40/73/964084073.db2.gz QNJWQLCMNPWXES-UHFFFAOYSA-N 1 0 232.243 1.548 20 5 BDBDRO C[C@@H]([NH3+])CCNc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001159774814 964191155 /nfs/dbraw/zinc/19/11/55/964191155.db2.gz SQHQCPVKFPABSJ-ZCFIWIBFSA-N 1 0 244.682 1.792 20 5 BDBDRO COc1cc(NCC(C)(C)[NH3+])ncc1[N+](=O)[O-] ZINC001160024864 964237614 /nfs/dbraw/zinc/23/76/14/964237614.db2.gz DCZLSQXDEPVWCF-UHFFFAOYSA-N 1 0 240.263 1.148 20 5 BDBDRO C[C@@H](OCCC[N+](C)(C)C)c1cncnc1 ZINC001224622519 964809036 /nfs/dbraw/zinc/80/90/36/964809036.db2.gz GZNOLEVSNDWXQW-LLVKDONJSA-N 1 0 224.328 1.651 20 5 BDBDRO Cc1ccnc(N[C@H]2C[C@@](C)([NH3+])C2)c1[N+](=O)[O-] ZINC001162324871 964932050 /nfs/dbraw/zinc/93/20/50/964932050.db2.gz KFOFECFFOSAYRA-DKTWLAJQSA-N 1 0 236.275 1.590 20 5 BDBDRO CCOC(=O)[C@@H]1CC[C@H](OCC[N+](C)(C)C)C1 ZINC001224775082 964938763 /nfs/dbraw/zinc/93/87/63/964938763.db2.gz IIOGYKJEJSCXJQ-NEPJUHHUSA-N 1 0 244.355 1.441 20 5 BDBDRO [NH3+][C@H]1CCC[C@@H](Nc2cnc([N+](=O)[O-])cn2)C1 ZINC001162401917 964960066 /nfs/dbraw/zinc/96/00/66/964960066.db2.gz NTZNROMLPRTFGT-JGVFFNPUSA-N 1 0 237.263 1.067 20 5 BDBDRO COc1cccc(-n2nccc2C[NH3+])c1[N+](=O)[O-] ZINC001162593909 965067193 /nfs/dbraw/zinc/06/71/93/965067193.db2.gz VHJBQDUIIVAHES-UHFFFAOYSA-N 1 0 248.242 1.248 20 5 BDBDRO Cc1c(F)cc([N+](=O)[O-])cc1N1CC[C@H]([NH3+])C1 ZINC001164287012 965832361 /nfs/dbraw/zinc/83/23/61/965832361.db2.gz AGVDDXRAYFZKBI-QMMMGPOBSA-N 1 0 239.250 1.580 20 5 BDBDRO C[NH+](C)C1(C)CN(c2cccc([N+](=O)[O-])n2)C1 ZINC001165117126 965965856 /nfs/dbraw/zinc/96/58/56/965965856.db2.gz QBBQOMYLWINANI-UHFFFAOYSA-N 1 0 236.275 1.130 20 5 BDBDRO O=[N+]([O-])C[C@@H](OCC[NH+]1CCCCC1)C1CC1 ZINC001206709387 966159852 /nfs/dbraw/zinc/15/98/52/966159852.db2.gz JBLWUYHNVHNPJL-GFCCVEGCSA-N 1 0 242.319 1.544 20 5 BDBDRO CCOC(=O)CCO[C@@H](C)C[N+](C)(C)C ZINC001205071826 967325499 /nfs/dbraw/zinc/32/54/99/967325499.db2.gz ASLVZYFVTWZLAA-JTQLQIEISA-N 1 0 218.317 1.051 20 5 BDBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000699765293 968095708 /nfs/dbraw/zinc/09/57/08/968095708.db2.gz YIRRAHXZHFZGDG-APPZFPTMSA-N 1 0 242.300 1.781 20 5 BDBDRO [NH3+][C@@H]1CCN(c2cc([N+](=O)[O-])cc3cc[nH]c32)C1 ZINC001164281592 968211366 /nfs/dbraw/zinc/21/13/66/968211366.db2.gz HTBHPKMZQNSQJQ-SECBINFHSA-N 1 0 246.270 1.614 20 5 BDBDRO COCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000824372235 968593727 /nfs/dbraw/zinc/59/37/27/968593727.db2.gz OFTULFNWVMRLAZ-UHFFFAOYSA-N 1 0 236.271 1.673 20 5 BDBDRO CC(C)OCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976514 969296077 /nfs/dbraw/zinc/29/60/77/969296077.db2.gz DGJXEWUVNUAFMT-NWDGAFQWSA-N 1 0 244.335 1.837 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CC3(COC3)C2)C1 ZINC001168976015 969296864 /nfs/dbraw/zinc/29/68/64/969296864.db2.gz YGVIKDDQCASLQC-UWVGGRQHSA-N 1 0 240.303 1.200 20 5 BDBDRO [NH3+]CCc1cnn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168978182 969297826 /nfs/dbraw/zinc/29/78/26/969297826.db2.gz PKJYQQVGYQIUAU-ONGXEEELSA-N 1 0 238.291 1.002 20 5 BDBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)CN ZINC001168985593 969300500 /nfs/dbraw/zinc/30/05/00/969300500.db2.gz TXRHQHYJDHZKSG-VHSXEESVSA-N 1 0 229.324 1.101 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccon2)C1 ZINC001168956320 969305213 /nfs/dbraw/zinc/30/52/13/969305213.db2.gz AWUOQQPTBUZVIP-IUCAKERBSA-N 1 0 225.248 1.210 20 5 BDBDRO Cc1ncccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168960235 969308861 /nfs/dbraw/zinc/30/88/61/969308861.db2.gz FDYRBWWOXZEQBM-DGCLKSJQSA-N 1 0 249.314 1.925 20 5 BDBDRO Cc1cccnc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958534 969308899 /nfs/dbraw/zinc/30/88/99/969308899.db2.gz ODLSERQWZURSPW-NEPJUHHUSA-N 1 0 249.314 1.925 20 5 BDBDRO CC(F)(F)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168960758 969310032 /nfs/dbraw/zinc/31/00/32/969310032.db2.gz GWKYUOFDDSTDEU-YUMQZZPRSA-N 1 0 222.235 1.677 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCN2CCCC2)C1 ZINC001168959669 969310904 /nfs/dbraw/zinc/31/09/04/969310904.db2.gz XVIJBGHUSXBGFO-NEPJUHHUSA-N 1 0 241.335 1.117 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](F)C2)C1 ZINC001168963142 969314706 /nfs/dbraw/zinc/31/47/06/969314706.db2.gz NTFSQPUTFAFBMS-DBIOUOCHSA-N 1 0 230.283 1.912 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](F)C2)C1 ZINC001168963146 969315144 /nfs/dbraw/zinc/31/51/44/969315144.db2.gz NTFSQPUTFAFBMS-ZDCRXTMVSA-N 1 0 230.283 1.912 20 5 BDBDRO Cc1cnccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965270 969318862 /nfs/dbraw/zinc/31/88/62/969318862.db2.gz YXTSNGNWTPXXTE-DGCLKSJQSA-N 1 0 249.314 1.925 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001168967859 969321639 /nfs/dbraw/zinc/32/16/39/969321639.db2.gz TZOUSKJSKXULMW-UTUOFQBUSA-N 1 0 242.319 1.448 20 5 BDBDRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)on1 ZINC001168967943 969321862 /nfs/dbraw/zinc/32/18/62/969321862.db2.gz VASHEEGWYUEEFG-NXEZZACHSA-N 1 0 239.275 1.518 20 5 BDBDRO CC(C)(C)C(=O)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966971 969321947 /nfs/dbraw/zinc/32/19/47/969321947.db2.gz MNWQRELMKMZBIS-UWVGGRQHSA-N 1 0 242.319 1.637 20 5 BDBDRO CC(C)N1CC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168970876 969323274 /nfs/dbraw/zinc/32/32/74/969323274.db2.gz JCWGFCPCPNURTD-MNOVXSKESA-N 1 0 241.335 1.114 20 5 BDBDRO CC1(C)C[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)O1 ZINC001168970431 969323597 /nfs/dbraw/zinc/32/35/97/969323597.db2.gz HGYPJVLUNYHWDA-GARJFASQSA-N 1 0 242.319 1.589 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2F)C1 ZINC001168974710 969324120 /nfs/dbraw/zinc/32/41/20/969324120.db2.gz SRRSZHYQGGIZER-BZNPZCIMSA-N 1 0 202.229 1.132 20 5 BDBDRO [NH3+]CCc1ccn([C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168971430 969325077 /nfs/dbraw/zinc/32/50/77/969325077.db2.gz KOMQPUCOLMDTBO-ONGXEEELSA-N 1 0 238.291 1.002 20 5 BDBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001168996953 969326325 /nfs/dbraw/zinc/32/63/25/969326325.db2.gz AERRWHSONXKKJD-DDHJBXDOSA-N 1 0 242.319 1.589 20 5 BDBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)O ZINC001169001145 969327389 /nfs/dbraw/zinc/32/73/89/969327389.db2.gz CTYGKCFEEOGPSW-KXUCPTDWSA-N 1 0 230.308 1.181 20 5 BDBDRO C[N@H+](Cc1ccncc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011063 969338408 /nfs/dbraw/zinc/33/84/08/969338408.db2.gz HWVKFYLTZDKLAH-CHWSQXEVSA-N 1 0 249.314 1.959 20 5 BDBDRO C[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011548 969339088 /nfs/dbraw/zinc/33/90/88/969339088.db2.gz KVHUJMKCZUWWNC-RCWTZXSCSA-N 1 0 230.283 1.864 20 5 BDBDRO C[C@H]1CC[C@@H](CO)[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013975 969341449 /nfs/dbraw/zinc/34/14/49/969341449.db2.gz XDYACHFBLPNWCV-QCNOEVLYSA-N 1 0 242.319 1.277 20 5 BDBDRO CO[C@@H](C)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986821 969342267 /nfs/dbraw/zinc/34/22/67/969342267.db2.gz ZTUUMPLVCUDNOG-LPEHRKFASA-N 1 0 216.281 1.056 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CCCO3)C1 ZINC001169014450 969342907 /nfs/dbraw/zinc/34/29/07/969342907.db2.gz ZWQWHVYVCJOVTG-GHMZBOCLSA-N 1 0 240.303 1.297 20 5 BDBDRO [NH3+]CCc1cccn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986817 969343048 /nfs/dbraw/zinc/34/30/48/969343048.db2.gz ZSUKOPOXKJQHAD-ZYHUDNBSSA-N 1 0 237.303 1.607 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCSCC2)C1 ZINC001169013402 969343058 /nfs/dbraw/zinc/34/30/58/969343058.db2.gz UUZSLBBLPGKKFB-NXEZZACHSA-N 1 0 230.333 1.481 20 5 BDBDRO CC(=O)CC(C)(C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988085 969343787 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BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC3(CSC3)C2)C1 ZINC001169045473 969364570 /nfs/dbraw/zinc/36/45/70/969364570.db2.gz JFOVAICVTWAFRM-VHSXEESVSA-N 1 0 242.344 1.481 20 5 BDBDRO C[C@H]([NH3+])c1ccn(-c2ncccc2[N+](=O)[O-])n1 ZINC001169230777 969501890 /nfs/dbraw/zinc/50/18/90/969501890.db2.gz CFSAOLOLUHPIMT-ZETCQYMHSA-N 1 0 233.231 1.195 20 5 BDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(C)C1 ZINC001254537279 969736119 /nfs/dbraw/zinc/73/61/19/969736119.db2.gz ZCJYASLHWLHJLN-JTQLQIEISA-N 1 0 249.314 1.429 20 5 BDBDRO C[N@H+](CCF)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610463 969747141 /nfs/dbraw/zinc/74/71/41/969747141.db2.gz LXLHMQDUPHGXSO-LBPRGKRZSA-N 1 0 238.262 1.963 20 5 BDBDRO [NH3+]Cc1ccn(-c2ncccc2[N+](=O)[O-])c1 ZINC001169726514 969820632 /nfs/dbraw/zinc/82/06/32/969820632.db2.gz WMEHWYBHUGEJEM-UHFFFAOYSA-N 1 0 218.216 1.239 20 5 BDBDRO COc1ccc([N+](=O)[O-])cc1-n1c[nH+]cc1N ZINC001210444913 969888710 /nfs/dbraw/zinc/88/87/10/969888710.db2.gz ORUFRFQARWNUHN-UHFFFAOYSA-N 1 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BDBDRO Cc1nn(C)cc1[C@@H](C)OCCC[N+](C)(C)C ZINC001224620445 973802364 /nfs/dbraw/zinc/80/23/64/973802364.db2.gz YSWWYIDZLAATJF-GFCCVEGCSA-N 1 0 240.371 1.902 20 5 BDBDRO COC(C[C@@H](C)OCC[N+](C)(C)C)OC ZINC001224776734 973940286 /nfs/dbraw/zinc/94/02/86/973940286.db2.gz ZEZGMTVZZGDBIK-SNVBAGLBSA-N 1 0 220.333 1.107 20 5 BDBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC001330670468 974399560 /nfs/dbraw/zinc/39/95/60/974399560.db2.gz FZSMHUIOQUQSIK-UHFFFAOYSA-N 1 0 240.307 1.949 20 5 BDBDRO Cc1ncc(O[C@H](C)C[N+](C)(C)C)c(C)n1 ZINC001225405566 974464946 /nfs/dbraw/zinc/46/49/46/974464946.db2.gz JFKHTRFJPMNCBB-SECBINFHSA-N 1 0 224.328 1.567 20 5 BDBDRO C[N@@H+]1CC[C@@H](Oc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001225488892 974526376 /nfs/dbraw/zinc/52/63/76/974526376.db2.gz MYTIXGWOGRBYQQ-SECBINFHSA-N 1 0 238.243 1.383 20 5 BDBDRO O=[N+]([O-])c1cccnc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001225593003 974581024 /nfs/dbraw/zinc/58/10/24/974581024.db2.gz KDDCVEWAVWJQPW-LLVKDONJSA-N 1 0 249.270 1.463 20 5 BDBDRO Cc1cc(C)nc(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001225644917 974618572 /nfs/dbraw/zinc/61/85/72/974618572.db2.gz RZICXEJBWUMTFZ-NSHDSACASA-N 1 0 224.328 1.567 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ncccc1O ZINC001225654101 974624898 /nfs/dbraw/zinc/62/48/98/974624898.db2.gz FFLDFUAITHZHSN-SECBINFHSA-O 1 0 211.285 1.261 20 5 BDBDRO Cc1ccnc(O[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001226117680 974799997 /nfs/dbraw/zinc/79/99/97/974799997.db2.gz DQXQSADNJJAJMZ-VIFPVBQESA-N 1 0 239.275 1.627 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1[nH]nc2ncccc21 ZINC001226306180 974851326 /nfs/dbraw/zinc/85/13/26/974851326.db2.gz QHQDOGJVZFWCSU-VIFPVBQESA-N 1 0 235.311 1.431 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1nnnc2ccccc21 ZINC001226398234 974879778 /nfs/dbraw/zinc/87/97/78/974879778.db2.gz BCLUFZSDFHCEFB-JTQLQIEISA-N 1 0 247.322 1.498 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2nccn2n1 ZINC001226569182 974960493 /nfs/dbraw/zinc/96/04/93/974960493.db2.gz SJBSRASYZLQFBM-SNVBAGLBSA-N 1 0 235.311 1.203 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1O[C@H]1CC[N@@H+](C)C1 ZINC001226761684 975062869 /nfs/dbraw/zinc/06/28/69/975062869.db2.gz KHWXVRVPMWJHLV-JTQLQIEISA-N 1 0 237.259 1.381 20 5 BDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH3+])C1 ZINC001173213189 975077883 /nfs/dbraw/zinc/07/78/83/975077883.db2.gz GDNMKSGFIOORDW-JQWIXIFHSA-N 1 0 249.314 1.559 20 5 BDBDRO COc1ccnc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001226825184 975103792 /nfs/dbraw/zinc/10/37/92/975103792.db2.gz PDTZPBCTAIWLRO-SNVBAGLBSA-N 1 0 225.312 1.564 20 5 BDBDRO Cc1ncc(O[C@H](C)C[N+](C)(C)C)cn1 ZINC001226955600 975186299 /nfs/dbraw/zinc/18/62/99/975186299.db2.gz BVJLITSIZILNPW-SECBINFHSA-N 1 0 210.301 1.259 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1nnccc1Cl ZINC001227792308 975689903 /nfs/dbraw/zinc/68/99/03/975689903.db2.gz ROAAEYLOSKIOBP-MRVPVSSYSA-N 1 0 230.719 1.604 20 5 BDBDRO CC(=O)c1ncccc1O[C@@H](C)C[N+](C)(C)C ZINC001227982764 975826208 /nfs/dbraw/zinc/82/62/08/975826208.db2.gz IDKQPWNCNBYGEP-JTQLQIEISA-N 1 0 237.323 1.758 20 5 BDBDRO O=[N+]([O-])c1cncc(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001227988834 975835072 /nfs/dbraw/zinc/83/50/72/975835072.db2.gz YMVCHKYJDPMDBD-GFCCVEGCSA-N 1 0 249.270 1.463 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2cccnc21 ZINC001228013384 975851966 /nfs/dbraw/zinc/85/19/66/975851966.db2.gz WVTPRASKNSJVNA-SNVBAGLBSA-N 1 0 247.322 1.498 20 5 BDBDRO Cc1ncnc(O[C@H](C)C[N+](C)(C)C)c1C ZINC001228322091 976110559 /nfs/dbraw/zinc/11/05/59/976110559.db2.gz JOYKXLBHPWYTSB-SECBINFHSA-N 1 0 224.328 1.567 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](C)C1 ZINC001228915641 976576737 /nfs/dbraw/zinc/57/67/37/976576737.db2.gz IIMKJWHRCZZKEX-NSHDSACASA-N 1 0 236.271 1.986 20 5 BDBDRO CCc1cnnc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001229057301 976684236 /nfs/dbraw/zinc/68/42/36/976684236.db2.gz XBVLJHWQNKLTPH-SNVBAGLBSA-N 1 0 224.328 1.513 20 5 BDBDRO COc1nc(C)cc(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001229820312 976992833 /nfs/dbraw/zinc/99/28/33/976992833.db2.gz BFXWFACUZQMDRU-JTQLQIEISA-N 1 0 240.327 1.267 20 5 BDBDRO C[C@](O)(CC[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001335985230 977406940 /nfs/dbraw/zinc/40/69/40/977406940.db2.gz BHYZEMGGLWSLRT-LBPRGKRZSA-N 1 0 238.287 1.151 20 5 BDBDRO Cc1cc(O)c(O[C@H](C)C[N+](C)(C)C)c(O)c1 ZINC001231343680 977574949 /nfs/dbraw/zinc/57/49/49/977574949.db2.gz QUZCJSMRBUVTKF-SNVBAGLBSA-O 1 0 240.323 1.880 20 5 BDBDRO Cc1[nH+]cn(-c2cc([N+](=O)[O-])ccc2F)c1N ZINC001175734207 977668608 /nfs/dbraw/zinc/66/86/08/977668608.db2.gz NQBYGHITXXKBLL-UHFFFAOYSA-N 1 0 236.206 1.810 20 5 BDBDRO Cc1ccc([C@@H]2C[C@H]2[NH2+]CC[N+](=O)[O-])cc1 ZINC001338549276 978701982 /nfs/dbraw/zinc/70/19/82/978701982.db2.gz GDTXBQNYXFWFPZ-NWDGAFQWSA-N 1 0 220.272 1.717 20 5 BDBDRO O=[N+]([O-])c1cc(O)cc(Nc2cc[nH+]cc2)c1 ZINC001199800858 983020554 /nfs/dbraw/zinc/02/05/54/983020554.db2.gz JDOPVDKHKAHYGZ-UHFFFAOYSA-N 1 0 231.211 1.861 20 5 BDBDRO Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001356442951 983606940 /nfs/dbraw/zinc/60/69/40/983606940.db2.gz RUYFPNFSGPKRBJ-DTORHVGOSA-N 1 0 249.270 1.123 20 5 BDBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000688052078 985538804 /nfs/dbraw/zinc/53/88/04/985538804.db2.gz ZOHURNPAEGWJJF-CABZTGNLSA-N 1 0 236.271 1.719 20 5 BDBDRO C[C@@H](NC(=O)[C@H](C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001122166606 990274698 /nfs/dbraw/zinc/27/46/98/990274698.db2.gz MOTDCNXDLOAQHI-JGVFFNPUSA-N 1 0 237.259 1.119 20 5 BDBDRO CCC[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC001262259134 992822485 /nfs/dbraw/zinc/82/24/85/992822485.db2.gz BQKJDQDHQFFVHW-SNVBAGLBSA-N 1 0 200.282 1.918 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[NH+](C)C ZINC000052812504 178274219 /nfs/dbraw/zinc/27/42/19/178274219.db2.gz ZLZPEDKXLIGCDO-SECBINFHSA-N 1 0 238.291 1.660 20 5 BDBDRO Cc1cccc(N2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000235924699 398344533 /nfs/dbraw/zinc/34/45/33/398344533.db2.gz GCYXLNWKHZUCPR-SNVBAGLBSA-N 1 0 235.287 1.831 20 5 BDBDRO Cc1c(Cn2ccnc2C[NH3+])cccc1[N+](=O)[O-] ZINC000060280969 343346702 /nfs/dbraw/zinc/34/67/02/343346702.db2.gz PESNYEZENLIITF-UHFFFAOYSA-N 1 0 246.270 1.607 20 5 BDBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]2)cn1 ZINC000166851702 136364399 /nfs/dbraw/zinc/36/43/99/136364399.db2.gz ZSZCZFNWJBBFPX-SECBINFHSA-N 1 0 236.275 1.544 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3CCC[C@H]32)c1 ZINC000610762460 344151843 /nfs/dbraw/zinc/15/18/43/344151843.db2.gz GLKRWAYKZXWIPK-MWLCHTKSSA-N 1 0 236.275 1.276 20 5 BDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000381350406 344496273 /nfs/dbraw/zinc/49/62/73/344496273.db2.gz HVEWGGJGCXXTPB-HTQZYQBOSA-N 1 0 237.259 1.060 20 5 BDBDRO C[C@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449095099 201807894 /nfs/dbraw/zinc/80/78/94/201807894.db2.gz WFXGTJOFGGDTAQ-NXEZZACHSA-N 1 0 238.287 1.496 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107574286 345537810 /nfs/dbraw/zinc/53/78/10/345537810.db2.gz UKZDACONHWNZAW-RYUDHWBXSA-N 1 0 247.298 1.246 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000235704174 178928702 /nfs/dbraw/zinc/92/87/02/178928702.db2.gz QQOMCLRLVMISSW-CBAPKCEASA-N 1 0 236.275 1.082 20 5 BDBDRO C[C@@H](C[NH+](C)C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401142188 346312052 /nfs/dbraw/zinc/31/20/52/346312052.db2.gz ZHOVPKLPVGPYSI-ZETCQYMHSA-N 1 0 242.254 1.491 20 5 BDBDRO C[NH+](C)CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000401180635 346397437 /nfs/dbraw/zinc/39/74/37/346397437.db2.gz FIEFGJRFIIVNHN-UHFFFAOYSA-N 1 0 228.227 1.102 20 5 BDBDRO Cc1cccc(N[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000235925793 179154684 /nfs/dbraw/zinc/15/46/84/179154684.db2.gz FKOYMLPYUZUIFA-SECBINFHSA-N 1 0 221.260 1.677 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000591435837 347659766 /nfs/dbraw/zinc/65/97/66/347659766.db2.gz UIUHORJZVBLIMV-AOOOYVTPSA-N 1 0 248.286 1.321 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000591437416 347660383 /nfs/dbraw/zinc/66/03/83/347660383.db2.gz HGXSBTYFNQZGTP-GXSJLCMTSA-N 1 0 248.286 1.178 20 5 BDBDRO C[C@@H](NCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577204 347677007 /nfs/dbraw/zinc/67/70/07/347677007.db2.gz AXKPPGGSLOADFM-SNVBAGLBSA-N 1 0 249.314 1.997 20 5 BDBDRO C[C@H]([NH3+])CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000591581504 347678915 /nfs/dbraw/zinc/67/89/15/347678915.db2.gz ZFRVFDYOWDPSIJ-TVQRCGJNSA-N 1 0 249.314 1.909 20 5 BDBDRO C[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000591757988 347692090 /nfs/dbraw/zinc/69/20/90/347692090.db2.gz DKDBUOPZBPEZDS-SECBINFHSA-N 1 0 224.260 1.108 20 5 BDBDRO O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)[nH]1 ZINC000592357299 347772534 /nfs/dbraw/zinc/77/25/34/347772534.db2.gz VQSIOZWBCLCKDJ-LURJTMIESA-N 1 0 249.230 1.397 20 5 BDBDRO Cc1ccc(C[NH2+]C/C=C/CO)cc1[N+](=O)[O-] ZINC000594973511 348162119 /nfs/dbraw/zinc/16/21/19/348162119.db2.gz DRFBBAHRQHFSGW-NSCUHMNNSA-N 1 0 236.271 1.541 20 5 BDBDRO CC[C@@H](O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000124474694 187394843 /nfs/dbraw/zinc/39/48/43/187394843.db2.gz ULZHGPLQWWGKEV-LLVKDONJSA-N 1 0 238.287 1.764 20 5 BDBDRO Cc1c(NC(=O)[C@H]2C[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000595931028 348393183 /nfs/dbraw/zinc/39/31/83/348393183.db2.gz ULKVONOQZUEFPR-KYZUINATSA-N 1 0 249.270 1.579 20 5 BDBDRO C[NH2+]C[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000596104587 348440467 /nfs/dbraw/zinc/44/04/67/348440467.db2.gz GRTWYWZZSYWLTJ-XOIDGJRKSA-N 1 0 249.314 1.806 20 5 BDBDRO Cc1cc(N(C)CC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596152728 348453494 /nfs/dbraw/zinc/45/34/94/348453494.db2.gz OCVHZBADNWPNFF-UHFFFAOYSA-N 1 0 243.332 1.963 20 5 BDBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])s1)[NH+](C)C ZINC000596429464 348538635 /nfs/dbraw/zinc/53/86/35/348538635.db2.gz HTTJCPUNPQDVEY-ZETCQYMHSA-N 1 0 244.320 1.225 20 5 BDBDRO CO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599016877 349082168 /nfs/dbraw/zinc/08/21/68/349082168.db2.gz VWNHMZZMJKJANB-UMSPYCQHSA-N 1 0 236.271 1.862 20 5 BDBDRO CN(CCC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000122211040 362943419 /nfs/dbraw/zinc/94/34/19/362943419.db2.gz GOXPWKNXYKXIRZ-UHFFFAOYSA-N 1 0 237.259 1.016 20 5 BDBDRO Cc1nc(NC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124167346 180021271 /nfs/dbraw/zinc/02/12/71/180021271.db2.gz ZCIUUYSTAVLAFJ-VIFPVBQESA-N 1 0 236.275 1.320 20 5 BDBDRO Cc1c(OC[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000051890678 350549061 /nfs/dbraw/zinc/54/90/61/350549061.db2.gz GWLSSIHPYIHRQN-SNVBAGLBSA-N 1 0 236.271 1.892 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCOCC1 ZINC000036308528 358461663 /nfs/dbraw/zinc/46/16/63/358461663.db2.gz VUYIIRLPNMNHJS-UHFFFAOYSA-N 1 0 236.271 1.863 20 5 BDBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](C)O ZINC000386754146 363038484 /nfs/dbraw/zinc/03/84/84/363038484.db2.gz HDDLCANKWWOCQT-CBAPKCEASA-N 1 0 244.316 1.905 20 5 BDBDRO CC[C@H]([NH3+])CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414980090 352417229 /nfs/dbraw/zinc/41/72/29/352417229.db2.gz OXQHAWMKISRBOI-NSHDSACASA-N 1 0 237.303 1.730 20 5 BDBDRO C[C@H](CO)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000086622729 352428172 /nfs/dbraw/zinc/42/81/72/352428172.db2.gz UGQXHMAUIUYENZ-UWVGGRQHSA-N 1 0 238.287 1.874 20 5 BDBDRO Cc1ccc(C[NH2+]CC(C)(C)O)cc1[N+](=O)[O-] ZINC000096480828 188147457 /nfs/dbraw/zinc/14/74/57/188147457.db2.gz KNTXJFMRNATECR-UHFFFAOYSA-N 1 0 238.287 1.764 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H]([NH3+])C1 ZINC000420277437 192198791 /nfs/dbraw/zinc/19/87/91/192198791.db2.gz TZNATWNMPRBLKP-GHMZBOCLSA-N 1 0 249.314 1.997 20 5 BDBDRO CC[C@H](NC[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000420391907 192237082 /nfs/dbraw/zinc/23/70/82/192237082.db2.gz BGVKPKOOEVHWFX-CABZTGNLSA-N 1 0 237.303 1.983 20 5 BDBDRO Cc1ccc([C@@H](C)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420409757 192239581 /nfs/dbraw/zinc/23/95/81/192239581.db2.gz QTFTUBUJRDOPOO-VHSXEESVSA-N 1 0 237.303 1.901 20 5 BDBDRO C[C@H](NC(=O)[C@H]1CC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000384748048 356740182 /nfs/dbraw/zinc/74/01/82/356740182.db2.gz LPEBSTCAZNONID-GZMMTYOYSA-N 1 0 249.270 1.134 20 5 BDBDRO CN(Cc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000385145532 356907756 /nfs/dbraw/zinc/90/77/56/356907756.db2.gz CHAVXERORMBFFM-UHFFFAOYSA-N 1 0 249.314 1.908 20 5 BDBDRO Cc1ccc(CN2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000346635674 357119139 /nfs/dbraw/zinc/11/91/39/357119139.db2.gz HLGWPMWIIZNTKD-LLVKDONJSA-N 1 0 235.287 1.436 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC([NH3+])CC1 ZINC000346648125 357126964 /nfs/dbraw/zinc/12/69/64/357126964.db2.gz OVZHRMAFQXTKPI-UHFFFAOYSA-N 1 0 249.314 1.826 20 5 BDBDRO C[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035602419 358002335 /nfs/dbraw/zinc/00/23/35/358002335.db2.gz REHUTAKJIPIJNW-MRVPVSSYSA-N 1 0 210.233 1.065 20 5 BDBDRO C[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035602417 358002461 /nfs/dbraw/zinc/00/24/61/358002461.db2.gz REHUTAKJIPIJNW-QMMMGPOBSA-N 1 0 210.233 1.065 20 5 BDBDRO C[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677779 358087865 /nfs/dbraw/zinc/08/78/65/358087865.db2.gz MEGRRXLWOQEYEE-VIFPVBQESA-N 1 0 224.260 1.108 20 5 BDBDRO C[NH2+]CCCOc1ccc(C)c([N+](=O)[O-])c1 ZINC000300847130 358998977 /nfs/dbraw/zinc/99/89/77/358998977.db2.gz GHVNQRQEDNBHFK-UHFFFAOYSA-N 1 0 224.260 1.892 20 5 BDBDRO CC(C)[NH2+]CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000037386057 363624314 /nfs/dbraw/zinc/62/43/14/363624314.db2.gz DPCPZQVVASZPMT-UHFFFAOYSA-N 1 0 237.259 1.531 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCOC2)cc1 ZINC000037668302 364461217 /nfs/dbraw/zinc/46/12/17/364461217.db2.gz OTZFPVFUCFSSBG-NSHDSACASA-N 1 0 236.271 1.721 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2O)cc1 ZINC000037690268 364525201 /nfs/dbraw/zinc/52/52/01/364525201.db2.gz WWIDOUAELGFRGW-NWDGAFQWSA-N 1 0 236.271 1.598 20 5 BDBDRO CCO[C@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000581586975 367613183 /nfs/dbraw/zinc/61/31/83/367613183.db2.gz FPBCHJLUDBXLKE-NEPJUHHUSA-N 1 0 236.271 1.862 20 5 BDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000122333694 181431454 /nfs/dbraw/zinc/43/14/54/181431454.db2.gz AICWCYHXVKZIDT-NSHDSACASA-N 1 0 249.270 1.158 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)cc1 ZINC000067384107 368687030 /nfs/dbraw/zinc/68/70/30/368687030.db2.gz WYHRUYMSJSNTOH-UHFFFAOYSA-N 1 0 247.298 1.879 20 5 BDBDRO CC(C)[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000092394119 371097152 /nfs/dbraw/zinc/09/71/52/371097152.db2.gz IHEHWEMIUQQHJX-LBPRGKRZSA-N 1 0 238.287 1.701 20 5 BDBDRO Cc1ccc(NC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000019503763 371155339 /nfs/dbraw/zinc/15/53/39/371155339.db2.gz YQZIPEYELXKJSN-UHFFFAOYSA-N 1 0 223.232 1.191 20 5 BDBDRO [NH3+][C@@H](CNc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000226783094 181547939 /nfs/dbraw/zinc/54/79/39/181547939.db2.gz PDHAHTGZSHNDRZ-LURJTMIESA-N 1 0 228.277 1.201 20 5 BDBDRO CC[NH+](CC)CCNc1ncccc1[N+](=O)[O-] ZINC000021518468 371439232 /nfs/dbraw/zinc/43/92/32/371439232.db2.gz DUOVCACRWNCQGO-UHFFFAOYSA-N 1 0 238.291 1.744 20 5 BDBDRO Cc1c(C[NH2+][C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000131449653 371606081 /nfs/dbraw/zinc/60/60/81/371606081.db2.gz LFYIPVHRUVLVCN-NSHDSACASA-N 1 0 236.271 1.782 20 5 BDBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CCC1 ZINC000602476100 371809626 /nfs/dbraw/zinc/80/96/26/371809626.db2.gz CKUXLJQPHTXBMW-UHFFFAOYSA-N 1 0 238.291 1.703 20 5 BDBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CCC[NH2+]C1 ZINC000043326455 182950853 /nfs/dbraw/zinc/95/08/53/182950853.db2.gz SHMJTMZTLZZEEK-SECBINFHSA-N 1 0 221.260 1.759 20 5 BDBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CCCC[NH2+]1 ZINC000044493175 182953254 /nfs/dbraw/zinc/95/32/54/182953254.db2.gz KBRATAUEJOELCS-VIFPVBQESA-N 1 0 236.275 1.544 20 5 BDBDRO CCC[NH2+]CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000124107367 169260430 /nfs/dbraw/zinc/26/04/30/169260430.db2.gz RLJSFFBYAKCQJE-UHFFFAOYSA-N 1 0 238.291 1.710 20 5 BDBDRO C[NH+](C)CCSCCn1cc([N+](=O)[O-])cn1 ZINC000339687074 384008404 /nfs/dbraw/zinc/00/84/04/384008404.db2.gz GIAHSKWZLDLRCY-UHFFFAOYSA-N 1 0 244.320 1.086 20 5 BDBDRO C[C@H]([NH3+])CCNc1c(F)cccc1[N+](=O)[O-] ZINC000304543213 384351844 /nfs/dbraw/zinc/35/18/44/384351844.db2.gz NUHOCRWHEUFNQK-ZETCQYMHSA-N 1 0 227.239 1.883 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)C2CC2)cs1 ZINC000070882351 384367432 /nfs/dbraw/zinc/36/74/32/384367432.db2.gz AJIFMOZETGNJKP-VIFPVBQESA-N 1 0 242.300 1.517 20 5 BDBDRO CN(Cc1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000395049205 384393791 /nfs/dbraw/zinc/39/37/91/384393791.db2.gz LPKDWFRXXULLSF-UHFFFAOYSA-N 1 0 235.287 1.516 20 5 BDBDRO [NH3+][C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000236306208 384385499 /nfs/dbraw/zinc/38/54/99/384385499.db2.gz IXKFPNKBSCQOCK-SSDOTTSWSA-N 1 0 241.678 1.786 20 5 BDBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000229606745 384388409 /nfs/dbraw/zinc/38/84/09/384388409.db2.gz PMWFBSOALMWDCU-IUCAKERBSA-N 1 0 236.275 1.542 20 5 BDBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176204000 384467304 /nfs/dbraw/zinc/46/73/04/384467304.db2.gz ANNXUOVROSLBGY-UHFFFAOYSA-N 1 0 238.291 1.664 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000363343976 384459316 /nfs/dbraw/zinc/45/93/16/384459316.db2.gz CSBWUWNQXGEATJ-TXEJJXNPSA-N 1 0 248.282 1.958 20 5 BDBDRO [NH3+]CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000040587694 384587961 /nfs/dbraw/zinc/58/79/61/384587961.db2.gz ZLHGVULJCCUHGD-AATRIKPKSA-N 1 0 249.270 1.073 20 5 BDBDRO C[NH2+]CCCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000020525014 384789133 /nfs/dbraw/zinc/78/91/33/384789133.db2.gz NLPGYMXIMQAEBT-UHFFFAOYSA-N 1 0 224.260 1.892 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113788 385060905 /nfs/dbraw/zinc/06/09/05/385060905.db2.gz KSIAPZJTXIJZGE-VIFPVBQESA-N 1 0 249.270 1.451 20 5 BDBDRO CO[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000167063293 385023816 /nfs/dbraw/zinc/02/38/16/385023816.db2.gz OHJIJGKGIYEUMH-VIFPVBQESA-N 1 0 224.260 1.719 20 5 BDBDRO C[C@H](CCO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000085126703 385027635 /nfs/dbraw/zinc/02/76/35/385027635.db2.gz GBMYRMPLSPTYES-MRVPVSSYSA-N 1 0 244.316 1.764 20 5 BDBDRO O=[N+]([O-])c1cccc(CNC[C@H]2CCC[NH2+]2)c1 ZINC000236408298 385121166 /nfs/dbraw/zinc/12/11/66/385121166.db2.gz MELHAVGZBGVFDB-LLVKDONJSA-N 1 0 235.287 1.436 20 5 BDBDRO C[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000120156451 385195068 /nfs/dbraw/zinc/19/50/68/385195068.db2.gz ZUODEKJYLCNNTF-LBPRGKRZSA-N 1 0 236.271 1.863 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CO)CC2)c1 ZINC000120339665 385687998 /nfs/dbraw/zinc/68/79/98/385687998.db2.gz BLIKCIZBJYPFJK-UHFFFAOYSA-N 1 0 222.244 1.209 20 5 BDBDRO C[NH+](C)C1(CNc2ncccc2[N+](=O)[O-])CC1 ZINC000397879908 385727054 /nfs/dbraw/zinc/72/70/54/385727054.db2.gz XWPZSMRRZVKGTR-UHFFFAOYSA-N 1 0 236.275 1.496 20 5 BDBDRO C[C@@H](C[NH3+])NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414964210 385901730 /nfs/dbraw/zinc/90/17/30/385901730.db2.gz YJZZMOODQJXGPF-RWCYGVJQSA-N 1 0 235.287 1.545 20 5 BDBDRO C[C@@H](CC[NH3+])NCc1csc([N+](=O)[O-])c1 ZINC000414889268 386113230 /nfs/dbraw/zinc/11/32/30/386113230.db2.gz SHUMJMUGIVTNFZ-ZETCQYMHSA-N 1 0 229.305 1.483 20 5 BDBDRO CCC[C@@H](NC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000571991507 386344982 /nfs/dbraw/zinc/34/49/82/386344982.db2.gz COSWGZBXNYVGSC-CYBMUJFWSA-N 1 0 249.314 1.997 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)C1CC([NH3+])C1 ZINC000414767689 386438545 /nfs/dbraw/zinc/43/85/45/386438545.db2.gz GQQABCIFZNNFKY-UHFFFAOYSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@H](N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000094087105 386468105 /nfs/dbraw/zinc/46/81/05/386468105.db2.gz OMSRDIXKKWFJIQ-GXSJLCMTSA-N 1 0 235.287 1.607 20 5 BDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000053254188 386557709 /nfs/dbraw/zinc/55/77/09/386557709.db2.gz FASSQYCOCXPLIC-JTQLQIEISA-N 1 0 249.270 1.077 20 5 BDBDRO CN(CC[NH+](C)C)Cc1csc([N+](=O)[O-])c1 ZINC000267057356 386751041 /nfs/dbraw/zinc/75/10/41/386751041.db2.gz LFLWXTMQTWCJEU-UHFFFAOYSA-N 1 0 243.332 1.650 20 5 BDBDRO O=[N+]([O-])c1cn(CCC[NH+]2CCCCC2)cn1 ZINC000191819314 387151213 /nfs/dbraw/zinc/15/12/13/387151213.db2.gz AEYPVPGJQOLTOC-UHFFFAOYSA-N 1 0 238.291 1.667 20 5 BDBDRO CC[C@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1F ZINC000414984588 387630140 /nfs/dbraw/zinc/63/01/40/387630140.db2.gz VCXGSMQOZVHSFJ-VIFPVBQESA-N 1 0 241.266 1.561 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@@H](C)[NH3+] ZINC000415013150 387664300 /nfs/dbraw/zinc/66/43/00/387664300.db2.gz KJQTYLOROBKQAR-NXEZZACHSA-N 1 0 237.303 1.729 20 5 BDBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[NH3+] ZINC000415104615 387707263 /nfs/dbraw/zinc/70/72/63/387707263.db2.gz HFGMEULWPAHCPZ-GQCTYLIASA-N 1 0 235.287 1.499 20 5 BDBDRO CN(CC[NH3+])c1c2ccccc2ncc1[N+](=O)[O-] ZINC000162159397 388347526 /nfs/dbraw/zinc/34/75/26/388347526.db2.gz NSCMJUDDYJGTDR-UHFFFAOYSA-N 1 0 246.270 1.538 20 5 BDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000090539443 388351662 /nfs/dbraw/zinc/35/16/62/388351662.db2.gz ACRVCSCWXCBKKK-NSHDSACASA-N 1 0 240.307 1.816 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[NH+](C)C)n1 ZINC000162603129 388354093 /nfs/dbraw/zinc/35/40/93/388354093.db2.gz RZTQCWZDGKXBRT-SECBINFHSA-N 1 0 238.291 1.660 20 5 BDBDRO C[C@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])s1 ZINC000226771470 388354833 /nfs/dbraw/zinc/35/48/33/388354833.db2.gz VMLDASRJLLSAEN-SSDOTTSWSA-N 1 0 244.320 1.803 20 5 BDBDRO C[NH+](C)C1CN(c2ccccc2[N+](=O)[O-])C1 ZINC000270892047 388369374 /nfs/dbraw/zinc/36/93/74/388369374.db2.gz QMBPBQLNFVVNBH-UHFFFAOYSA-N 1 0 221.260 1.345 20 5 BDBDRO C[N@H+](CCCCO)Cc1ccccc1[N+](=O)[O-] ZINC000170871278 388586244 /nfs/dbraw/zinc/58/62/44/388586244.db2.gz CZMFDHSJALNGSW-UHFFFAOYSA-N 1 0 238.287 1.799 20 5 BDBDRO C[C@@H](N[C@@H](C)C1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422951494 388686278 /nfs/dbraw/zinc/68/62/78/388686278.db2.gz YTIHFZCFPNFKKN-ZJUUUORDSA-N 1 0 249.314 1.853 20 5 BDBDRO C[NH2+][C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000123226084 388637345 /nfs/dbraw/zinc/63/73/45/388637345.db2.gz IRLVLFHMSSETLW-LBPRGKRZSA-N 1 0 249.314 1.697 20 5 BDBDRO C[NH2+]CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423225554 388690082 /nfs/dbraw/zinc/69/00/82/388690082.db2.gz NFIDDUVCYPGKLY-VIFPVBQESA-N 1 0 223.276 1.465 20 5 BDBDRO C[C@@H](N[C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423269808 388690175 /nfs/dbraw/zinc/69/01/75/388690175.db2.gz FXAXFELLMRNYKA-RNCFNFMXSA-N 1 0 249.314 1.983 20 5 BDBDRO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423231532 388690218 /nfs/dbraw/zinc/69/02/18/388690218.db2.gz GSLWSCMLQBATLF-PWSUYJOCSA-N 1 0 249.314 1.997 20 5 BDBDRO C[C@H](NCC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423307015 388691587 /nfs/dbraw/zinc/69/15/87/388691587.db2.gz UXZMDEHRTMGBRC-VIFPVBQESA-N 1 0 235.287 1.465 20 5 BDBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330802737 388762196 /nfs/dbraw/zinc/76/21/96/388762196.db2.gz BADYGGMKWRONSH-BDAKNGLRSA-N 1 0 240.307 1.853 20 5 BDBDRO C[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000495090281 533649959 /nfs/dbraw/zinc/64/99/59/533649959.db2.gz HSOOAMQQCLDYLZ-FXPVBKGRSA-N 1 0 238.291 1.425 20 5 BDBDRO [NH3+]C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000044559369 132225168 /nfs/dbraw/zinc/22/51/68/132225168.db2.gz RNLSBSKKRANRQZ-VIFPVBQESA-N 1 0 236.275 1.307 20 5 BDBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342386 132238888 /nfs/dbraw/zinc/23/88/88/132238888.db2.gz CCYXJOMRQZORCE-ZJUUUORDSA-N 1 0 235.287 1.768 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]C[C@@H]1C ZINC000347025608 133802689 /nfs/dbraw/zinc/80/26/89/133802689.db2.gz SSABRMCYJLGJOX-NSHDSACASA-N 1 0 249.314 1.697 20 5 BDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[NH+](C)C ZINC000047873328 134615858 /nfs/dbraw/zinc/61/58/58/134615858.db2.gz BHHYTZUJOUUFIT-QMMMGPOBSA-N 1 0 224.264 1.352 20 5 BDBDRO Cc1cc(NCC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000261534834 135168292 /nfs/dbraw/zinc/16/82/92/135168292.db2.gz NCOCCXYMUGDDKI-UHFFFAOYSA-N 1 0 213.212 1.413 20 5 BDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ncc([N+](=O)[O-])s1 ZINC000261535235 135169014 /nfs/dbraw/zinc/16/90/14/135169014.db2.gz XBOCZKLNVBYKRR-NKWVEPMBSA-N 1 0 242.304 1.238 20 5 BDBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccccc1[N+](=O)[O-] ZINC000261541571 135181628 /nfs/dbraw/zinc/18/16/28/135181628.db2.gz BJDABNQLDPJQOZ-ONGXEEELSA-N 1 0 235.287 1.516 20 5 BDBDRO C[NH2+]CCN(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000261541800 135182185 /nfs/dbraw/zinc/18/21/85/135182185.db2.gz BLHAAADRIVJMSC-UHFFFAOYSA-N 1 0 241.266 1.385 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH3+])[C@H]1C ZINC000261542104 135182742 /nfs/dbraw/zinc/18/27/42/135182742.db2.gz BTYVUDSKYSDLIK-SCZZXKLOSA-N 1 0 236.275 1.224 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261554405 135193417 /nfs/dbraw/zinc/19/34/17/135193417.db2.gz AXDMLNPKUOUWRD-WDEREUQCSA-N 1 0 247.298 1.783 20 5 BDBDRO C[C@H]1C[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000261567594 135209792 /nfs/dbraw/zinc/20/97/92/135209792.db2.gz ITBBOGKLAKCAFF-GXFFZTMASA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000261573772 135215943 /nfs/dbraw/zinc/21/59/43/135215943.db2.gz MLFOJOPIGKKYRF-MFKMUULPSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@]1(C[NH3+])CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261589234 135230476 /nfs/dbraw/zinc/23/04/76/135230476.db2.gz WDHUFFDUGXMQFA-CYBMUJFWSA-N 1 0 249.314 1.766 20 5 BDBDRO CC(C)C1([NH2+]CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000293006531 166752796 /nfs/dbraw/zinc/75/27/96/166752796.db2.gz NNOSLOVBYTYVOE-UHFFFAOYSA-N 1 0 238.291 1.570 20 5 BDBDRO CC(C)NC(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC000052044423 167035669 /nfs/dbraw/zinc/03/56/69/167035669.db2.gz KXQCAXLOIDFHBT-UHFFFAOYSA-N 1 0 236.275 1.617 20 5 BDBDRO CC[NH2+]CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094772133 170116214 /nfs/dbraw/zinc/11/62/14/170116214.db2.gz IBPUINNNIXNHLH-UHFFFAOYSA-N 1 0 249.274 1.493 20 5 BDBDRO CC[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000044626032 170130372 /nfs/dbraw/zinc/13/03/72/170130372.db2.gz LCCFVDOMDFGKLA-UHFFFAOYSA-N 1 0 248.242 1.754 20 5 BDBDRO CC[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000080108514 171170588 /nfs/dbraw/zinc/17/05/88/171170588.db2.gz BHCWYAMFVBSRDR-LBPRGKRZSA-N 1 0 238.287 1.845 20 5 BDBDRO CC[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357936394 171620566 /nfs/dbraw/zinc/62/05/66/171620566.db2.gz MXYHLEWJSHLXHR-JTQLQIEISA-N 1 0 238.291 1.666 20 5 BDBDRO C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226770080 173117264 /nfs/dbraw/zinc/11/72/64/173117264.db2.gz LMAPMKRZGWCECL-ZETCQYMHSA-N 1 0 242.304 1.415 20 5 BDBDRO C[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000052076705 173341733 /nfs/dbraw/zinc/34/17/33/173341733.db2.gz RQFGXJMEZIASSR-UHFFFAOYSA-N 1 0 237.259 1.451 20 5 BDBDRO C[NH2+][C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000133165634 173465802 /nfs/dbraw/zinc/46/58/02/173465802.db2.gz RJNHHWGAKHNUFJ-VIFPVBQESA-N 1 0 241.316 1.450 20 5 BDBDRO C[NH2+][C@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000129132234 173466756 /nfs/dbraw/zinc/46/67/56/173466756.db2.gz DYAUCKMNOKVJCD-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO C[NH2+][C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000116942539 173467223 /nfs/dbraw/zinc/46/72/23/173467223.db2.gz UMORVFCOGMPHDJ-VIFPVBQESA-N 1 0 221.260 1.393 20 5 BDBDRO COCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285396879 174278705 /nfs/dbraw/zinc/27/87/05/174278705.db2.gz SXBJGJMUCDFWJE-UHFFFAOYSA-N 1 0 238.287 1.716 20 5 BDBDRO COCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472309 174335356 /nfs/dbraw/zinc/33/53/56/174335356.db2.gz KVYGEIBTWHATEZ-UHFFFAOYSA-N 1 0 216.262 1.392 20 5 BDBDRO COCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525908 174337701 /nfs/dbraw/zinc/33/77/01/174337701.db2.gz YQZDLGJZNCNSBS-VIFPVBQESA-N 1 0 224.260 1.892 20 5 BDBDRO COCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020085623 174339786 /nfs/dbraw/zinc/33/97/86/174339786.db2.gz FGSUVKKVNSWIDR-SECBINFHSA-N 1 0 224.260 1.892 20 5 BDBDRO COC[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677560 174456972 /nfs/dbraw/zinc/45/69/72/174456972.db2.gz GHIZIVHFPVJEFZ-SNVBAGLBSA-N 1 0 238.287 1.762 20 5 BDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000235354094 176260965 /nfs/dbraw/zinc/26/09/65/176260965.db2.gz ZQSZLEDYARVHKE-LDYMZIIASA-N 1 0 249.270 1.014 20 5 BDBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000235324665 176293927 /nfs/dbraw/zinc/29/39/27/176293927.db2.gz KFJSAHYFFSZCSE-MFKMUULPSA-N 1 0 249.314 1.416 20 5 BDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094339051 176304813 /nfs/dbraw/zinc/30/48/13/176304813.db2.gz YQRRVZXYYMYYEC-MFKMUULPSA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@@H]1C[C@@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000336781918 176396689 /nfs/dbraw/zinc/39/66/89/176396689.db2.gz WBHOGUSVDVGKGC-RKDXNWHRSA-N 1 0 224.264 1.037 20 5 BDBDRO C[C@H](C[NH3+])N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000347032635 176660959 /nfs/dbraw/zinc/66/09/59/176660959.db2.gz ADIFOTNLUZSBMH-SECBINFHSA-N 1 0 223.276 1.374 20 5 BDBDRO C[C@H](CNc1ccc([N+](=O)[O-])nc1)C[NH+](C)C ZINC000336687996 176686516 /nfs/dbraw/zinc/68/65/16/176686516.db2.gz GWCHAUPMEKYDEF-SECBINFHSA-N 1 0 238.291 1.599 20 5 BDBDRO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000357994428 177236617 /nfs/dbraw/zinc/23/66/17/177236617.db2.gz MXAOSDZOTDJREW-JQWIXIFHSA-N 1 0 249.314 1.635 20 5 BDBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351810986 177265438 /nfs/dbraw/zinc/26/54/38/177265438.db2.gz OLMPZJFMKMMXRX-CABZTGNLSA-N 1 0 236.271 1.407 20 5 BDBDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000229606756 177395114 /nfs/dbraw/zinc/39/51/14/177395114.db2.gz PMWFBSOALMWDCU-BDAKNGLRSA-N 1 0 236.275 1.542 20 5 BDBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000229600936 177396553 /nfs/dbraw/zinc/39/65/53/177396553.db2.gz PKYQVRANEWEJAD-PSASIEDQSA-N 1 0 236.275 1.542 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCO ZINC000159696297 323044182 /nfs/dbraw/zinc/04/41/82/323044182.db2.gz KEHREIPOZWFOKC-SECBINFHSA-N 1 0 224.260 1.546 20 5 BDBDRO Cc1ccc(CNC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414842523 323151598 /nfs/dbraw/zinc/15/15/98/323151598.db2.gz IQQAMTVKRXTXAH-GFCCVEGCSA-N 1 0 249.314 1.745 20 5 BDBDRO [NH3+][C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000399233848 323200971 /nfs/dbraw/zinc/20/09/71/323200971.db2.gz QBRQMLBAIIAKGD-LLVKDONJSA-N 1 0 249.270 1.661 20 5 BDBDRO C[NH2+][C@@H](C)CNc1nccc(C)c1[N+](=O)[O-] ZINC000261596411 536344871 /nfs/dbraw/zinc/34/48/71/536344871.db2.gz YVHNVRHPEIZBMU-QMMMGPOBSA-N 1 0 224.264 1.318 20 5 BDBDRO C[NH2+][C@@H](C)CNc1ccc([N+](=O)[O-])cc1F ZINC000261564073 536344891 /nfs/dbraw/zinc/34/48/91/536344891.db2.gz CFDYGIDBOHOKCO-ZETCQYMHSA-N 1 0 227.239 1.754 20 5 BDBDRO C[NH2+][C@@H](C)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000261585731 536344113 /nfs/dbraw/zinc/34/41/13/536344113.db2.gz QOVHMEMIBHSAEI-VIFPVBQESA-N 1 0 223.276 1.923 20 5 BDBDRO C[NH2+][C@H](C)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000261565043 536404327 /nfs/dbraw/zinc/40/43/27/536404327.db2.gz YBYGZJADZINZNT-ZCFIWIBFSA-N 1 0 245.229 1.893 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(F)cc1 ZINC000899859995 584242386 /nfs/dbraw/zinc/24/23/86/584242386.db2.gz OTQRGYBRULGXKF-UHFFFAOYSA-N 1 0 212.224 1.235 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1ccccc1F ZINC000899859289 584242725 /nfs/dbraw/zinc/24/27/25/584242725.db2.gz IQXZIFNPDXVSEZ-UHFFFAOYSA-N 1 0 212.224 1.235 20 5 BDBDRO Cc1ccc(C[NH2+]CC[N+](=O)[O-])cc1F ZINC000899864722 584244262 /nfs/dbraw/zinc/24/42/62/584244262.db2.gz MHDZTCJTYMCBMY-UHFFFAOYSA-N 1 0 212.224 1.500 20 5 BDBDRO COc1ccc(C)cc1CNCC[N+](=O)[O-] ZINC000899866409 584245357 /nfs/dbraw/zinc/24/53/57/584245357.db2.gz NGAGXZCEFPSVKU-UHFFFAOYSA-N 1 0 224.260 1.370 20 5 BDBDRO CC1CCC(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000899873464 584245508 /nfs/dbraw/zinc/24/55/08/584245508.db2.gz PPOSGONRMZLPGX-UHFFFAOYSA-N 1 0 200.282 1.679 20 5 BDBDRO C[N@H+](Cc1ccccc1)C1CN(CC[N+](=O)[O-])C1 ZINC000899885070 584246527 /nfs/dbraw/zinc/24/65/27/584246527.db2.gz GBUCAUHLGGHPJM-UHFFFAOYSA-N 1 0 249.314 1.079 20 5 BDBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC[N+](=O)[O-] ZINC000791052115 585972583 /nfs/dbraw/zinc/97/25/83/585972583.db2.gz LMIGVXZXKSJYSY-MXWKQRLJSA-N 1 0 212.293 1.916 20 5 BDBDRO CC(C)[C@@H]1C[N@H+](CC[N+](=O)[O-])CCS1 ZINC000791052048 585972795 /nfs/dbraw/zinc/97/27/95/585972795.db2.gz KJHVDCAEGWDPQM-VIFPVBQESA-N 1 0 218.322 1.337 20 5 BDBDRO CS[C@@H]1CCCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791055133 585973012 /nfs/dbraw/zinc/97/30/12/585973012.db2.gz PLLIZVIFXHBRGM-SECBINFHSA-N 1 0 218.322 1.481 20 5 BDBDRO C[C@H]1CC[N@H+](CC[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000791055813 585973733 /nfs/dbraw/zinc/97/37/33/585973733.db2.gz YVDPIBJRKVYIKB-WDEREUQCSA-N 1 0 238.291 1.043 20 5 BDBDRO C[NH2+]CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841037361 587938163 /nfs/dbraw/zinc/93/81/63/587938163.db2.gz ZWLSTTTZRDMFGJ-UHFFFAOYSA-N 1 0 243.694 1.557 20 5 BDBDRO C[C@@H](COC(=O)C[C@H](C)n1ccnc1)[N+](=O)[O-] ZINC000845577046 588233824 /nfs/dbraw/zinc/23/38/24/588233824.db2.gz QZSWKPBNJDMWII-IUCAKERBSA-N 1 0 241.247 1.043 20 5 BDBDRO CCC[C@@H]([NH3+])c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642837 589387455 /nfs/dbraw/zinc/38/74/55/589387455.db2.gz XFEWGTWMFKOCBF-MRVPVSSYSA-N 1 0 241.295 1.133 20 5 BDBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000876560238 590216048 /nfs/dbraw/zinc/21/60/48/590216048.db2.gz GFQUPRUOVIOHCF-UHFFFAOYSA-N 1 0 226.280 1.559 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000880293170 590987328 /nfs/dbraw/zinc/98/73/28/590987328.db2.gz FHENJFGMEWLEPZ-VIFPVBQESA-N 1 0 242.254 1.083 20 5 BDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000886317118 592207692 /nfs/dbraw/zinc/20/76/92/592207692.db2.gz YVNCSNFNHVPLIR-VIFPVBQESA-N 1 0 239.250 1.781 20 5 BDBDRO CSC[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000308299564 631273614 /nfs/dbraw/zinc/27/36/14/631273614.db2.gz JPQWTRBMNASNPK-MRVPVSSYSA-N 1 0 204.295 1.091 20 5 BDBDRO C[C@@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1C ZINC000308685628 631523226 /nfs/dbraw/zinc/52/32/26/631523226.db2.gz ZIWKTJNQPHNJRZ-OPRDCNLKSA-N 1 0 200.282 1.677 20 5 BDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178857031 635747614 /nfs/dbraw/zinc/74/76/14/635747614.db2.gz FUEAXNVRWZHIBU-GFCCVEGCSA-N 1 0 236.271 1.722 20 5 BDBDRO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000342187207 636328222 /nfs/dbraw/zinc/32/82/22/636328222.db2.gz FPILPZHPNJPNTA-UWVGGRQHSA-N 1 0 238.287 1.762 20 5 BDBDRO O=[N+]([O-])c1ccnn1C[C@H]1CCCC[NH2+]C1 ZINC000899624303 637101289 /nfs/dbraw/zinc/10/12/89/637101289.db2.gz OXFKXHAJRCYFHG-VIFPVBQESA-N 1 0 224.264 1.181 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1cccs1 ZINC000905024932 637574027 /nfs/dbraw/zinc/57/40/27/637574027.db2.gz KOMPICHCFLTFEI-UHFFFAOYSA-N 1 0 200.263 1.157 20 5 BDBDRO C[C@H](COc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905056399 637588547 /nfs/dbraw/zinc/58/85/47/637588547.db2.gz ZACCOLISEMKZJQ-SNVBAGLBSA-N 1 0 224.260 1.320 20 5 BDBDRO CC(C)CC(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905156272 637638653 /nfs/dbraw/zinc/63/86/53/637638653.db2.gz YRWKHDBFSJRVHP-UHFFFAOYSA-N 1 0 202.298 1.925 20 5 BDBDRO CCc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905129291 637641197 /nfs/dbraw/zinc/64/11/97/637641197.db2.gz ZLMNPUULKYXTMV-UHFFFAOYSA-N 1 0 222.288 1.658 20 5 BDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])Cc1cccs1 ZINC000905132601 637643749 /nfs/dbraw/zinc/64/37/49/637643749.db2.gz BMBAKUMXKYHBPR-VIFPVBQESA-N 1 0 228.317 1.793 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000905172130 637683208 /nfs/dbraw/zinc/68/32/08/637683208.db2.gz BREUTSYXAHLNPW-NSHDSACASA-N 1 0 242.319 1.735 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCCS1 ZINC000905203544 637696350 /nfs/dbraw/zinc/69/63/50/637696350.db2.gz LNDYBAUSMDALSW-MRVPVSSYSA-N 1 0 204.295 1.138 20 5 BDBDRO C[C@@H]1CCC[C@@H](C[NH2+]CC[N+](=O)[O-])[C@H]1C ZINC000905247412 637707223 /nfs/dbraw/zinc/70/72/23/637707223.db2.gz JKAOVHJDNXIWNJ-VWYCJHECSA-N 1 0 214.309 1.925 20 5 BDBDRO Cc1cnc([C@@H](C)C[NH2+]CC[N+](=O)[O-])s1 ZINC000905214743 637699838 /nfs/dbraw/zinc/69/98/38/637699838.db2.gz VTIJXEYAVDQQOA-ZETCQYMHSA-N 1 0 229.305 1.421 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCC[C@H]1CCCCO1 ZINC000905214779 637700039 /nfs/dbraw/zinc/70/00/39/637700039.db2.gz WLJQSMBUAUSRFX-SNVBAGLBSA-N 1 0 216.281 1.202 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000905243648 637704021 /nfs/dbraw/zinc/70/40/21/637704021.db2.gz LHYXPWOIIANOLM-UMSPYCQHSA-N 1 0 238.262 1.938 20 5 BDBDRO Cc1cccc2c1OC[C@@H]([NH2+]CC[N+](=O)[O-])C2 ZINC000905263218 637717258 /nfs/dbraw/zinc/71/72/58/637717258.db2.gz LLGLCGXPESDBRG-NSHDSACASA-N 1 0 236.271 1.165 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000905269855 637729256 /nfs/dbraw/zinc/72/92/56/637729256.db2.gz YONNOTFLEGSUPT-UMSPYCQHSA-N 1 0 238.262 1.938 20 5 BDBDRO C[C@]1(CC[NH2+]CC[N+](=O)[O-])CC1(Cl)Cl ZINC000905279785 637735295 /nfs/dbraw/zinc/73/52/95/637735295.db2.gz NAQKCLRUBAHGRE-ZETCQYMHSA-N 1 0 241.118 1.827 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000905286724 637739931 /nfs/dbraw/zinc/73/99/31/637739931.db2.gz RFJIOMGOQVTZRW-MNOVXSKESA-N 1 0 212.293 1.679 20 5 BDBDRO CN1Cc2ccccc2[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905407513 637798807 /nfs/dbraw/zinc/79/88/07/637798807.db2.gz BRIZTVXECJJOGH-LBPRGKRZSA-N 1 0 235.287 1.039 20 5 BDBDRO CC1(C)CC[C@@H](CC[NH2+]CC[N+](=O)[O-])OC1 ZINC000905643266 637880466 /nfs/dbraw/zinc/88/04/66/637880466.db2.gz LFOHEXZXHZYQTE-JTQLQIEISA-N 1 0 230.308 1.448 20 5 BDBDRO C[C@@H]1CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905975243 637991440 /nfs/dbraw/zinc/99/14/40/637991440.db2.gz PYNMUXPDVVKSHW-BXKDBHETSA-N 1 0 236.271 1.722 20 5 BDBDRO CC1(C)CN(CC[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000930507028 639778862 /nfs/dbraw/zinc/77/88/62/639778862.db2.gz BKQQYRLCCBITNV-ZJUUUORDSA-N 1 0 228.292 1.153 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000930516549 639794697 /nfs/dbraw/zinc/79/46/97/639794697.db2.gz MPSFOOKALRERTG-LLVKDONJSA-N 1 0 221.260 1.148 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000930810005 639913443 /nfs/dbraw/zinc/91/34/43/639913443.db2.gz FEOMQZSVCQIYLM-GHMZBOCLSA-N 1 0 228.292 1.154 20 5 BDBDRO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])C1(CO)CC=CC1 ZINC000930825126 639927544 /nfs/dbraw/zinc/92/75/44/639927544.db2.gz LXABMCYLIPVJLY-LLVKDONJSA-N 1 0 242.319 1.206 20 5 BDBDRO CN(c1ccccc1)[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000931058883 640046508 /nfs/dbraw/zinc/04/65/08/640046508.db2.gz FJKKSRLWBPBEBN-CYBMUJFWSA-N 1 0 249.314 1.474 20 5 BDBDRO C/C=C/C[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931339159 640165470 /nfs/dbraw/zinc/16/54/70/640165470.db2.gz VXLGDTCQLAPIHV-VUDBWIFFSA-N 1 0 212.293 1.941 20 5 BDBDRO CC(C)([NH2+]CC[N+](=O)[O-])[C@H]1CCCCO1 ZINC000931505669 640239716 /nfs/dbraw/zinc/23/97/16/640239716.db2.gz WIWKUYPPJXCSCO-SECBINFHSA-N 1 0 216.281 1.200 20 5 BDBDRO Cc1ccccc1[C@@H](CO)N(C)CC[N+](=O)[O-] ZINC000931743879 640342610 /nfs/dbraw/zinc/34/26/10/640342610.db2.gz JKZYUWMHVQPXQL-GFCCVEGCSA-N 1 0 238.287 1.237 20 5 BDBDRO CC[NH+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351099 641040676 /nfs/dbraw/zinc/04/06/76/641040676.db2.gz MFSKAOAOCZYRLH-GFCCVEGCSA-N 1 0 238.287 1.970 20 5 BDBDRO Cc1c(C[NH2+]CCCCO)cccc1[N+](=O)[O-] ZINC000231885355 641212151 /nfs/dbraw/zinc/21/21/51/641212151.db2.gz OPIMARBUMBNQCZ-UHFFFAOYSA-N 1 0 238.287 1.765 20 5 BDBDRO CC(C)[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000920484083 642509438 /nfs/dbraw/zinc/50/94/38/642509438.db2.gz BSUHLOLNDMQOBZ-LLVKDONJSA-N 1 0 238.291 1.869 20 5 BDBDRO [NH3+]C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000050245175 643656720 /nfs/dbraw/zinc/65/67/20/643656720.db2.gz QCBICSGRJOIPKR-LLVKDONJSA-N 1 0 235.287 1.375 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](CO)C2)cs1 ZINC000923006774 644226234 /nfs/dbraw/zinc/22/62/34/644226234.db2.gz FDJMFGJJOKXVKJ-XWEPSHTISA-N 1 0 242.300 1.517 20 5 BDBDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000087128194 644477980 /nfs/dbraw/zinc/47/79/80/644477980.db2.gz BGPZNFGADQKDAO-RKDXNWHRSA-N 1 0 224.260 1.454 20 5 BDBDRO Cc1cc([C@H]2CCCN2CC[N+](=O)[O-])on1 ZINC000929289216 646059724 /nfs/dbraw/zinc/05/97/24/646059724.db2.gz MXFOGTGZEYURLN-SECBINFHSA-N 1 0 225.248 1.397 20 5 BDBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000929850649 646362017 /nfs/dbraw/zinc/36/20/17/646362017.db2.gz LPQIBBGMMRFMSA-JTQLQIEISA-N 1 0 238.287 1.532 20 5 BDBDRO CN1CC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000712584422 712434266 /nfs/dbraw/zinc/43/42/66/712434266.db2.gz AXOBXFKHLVUQOP-GFCCVEGCSA-N 1 0 235.287 1.389 20 5 BDBDRO Cc1ccc(C[NH2+]C[C@H]2CCN2C)cc1[N+](=O)[O-] ZINC000712525940 712440958 /nfs/dbraw/zinc/44/09/58/712440958.db2.gz DSVCOVXSLPHVRR-GFCCVEGCSA-N 1 0 249.314 1.697 20 5 BDBDRO CCN1CC[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000712532368 712441656 /nfs/dbraw/zinc/44/16/56/712441656.db2.gz ATSUMXLOQMSMSU-LBPRGKRZSA-N 1 0 249.314 1.779 20 5 BDBDRO C[C@H]1[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000719604325 712815921 /nfs/dbraw/zinc/81/59/21/712815921.db2.gz UUUDAXZAUGDMCN-CMPLNLGQSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCCCCCC(N)=O ZINC001210103317 957640378 /nfs/dbraw/zinc/64/03/78/957640378.db2.gz UOVHRRXHEYBXKD-LLVKDONJSA-O 1 0 231.360 1.143 20 5 BDBDRO CN(c1cccnc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC000714242467 963635365 /nfs/dbraw/zinc/63/53/65/963635365.db2.gz HMFAPDPUFWQSMV-UHFFFAOYSA-N 1 0 224.264 1.163 20 5 BDBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000699765294 966079489 /nfs/dbraw/zinc/07/94/89/966079489.db2.gz YIRRAHXZHFZGDG-CBAPKCEASA-N 1 0 242.300 1.781 20 5 BDBDRO CSCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966770 969318332 /nfs/dbraw/zinc/31/83/32/969318332.db2.gz KSRSJPFSWYBUPN-IUCAKERBSA-N 1 0 218.322 1.384 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCOC[C@@H]2F)C1 ZINC001169002611 969327226 /nfs/dbraw/zinc/32/72/26/969327226.db2.gz LHDMZWLEBCTNJX-NAKRPEOUSA-N 1 0 246.282 1.148 20 5 BDBDRO CC(C)[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005653 969328885 /nfs/dbraw/zinc/32/88/85/969328885.db2.gz BWJKJDKEZREJRZ-NXEZZACHSA-N 1 0 200.282 1.772 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]2C2CC2)C1 ZINC001169006274 969330017 /nfs/dbraw/zinc/33/00/17/969330017.db2.gz GMEQGVQWMSCGCY-QTKMDUPCSA-N 1 0 224.304 1.820 20 5 BDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169010244 969338666 /nfs/dbraw/zinc/33/86/66/969338666.db2.gz BSAFAKNWVIETFM-YTWAJWBKSA-N 1 0 230.283 1.722 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(F)CCC2)C1 ZINC001168990042 969344659 /nfs/dbraw/zinc/34/46/59/969344659.db2.gz BAGKIWZLXZBTHX-UWVGGRQHSA-N 1 0 230.283 1.914 20 5 BDBDRO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)CO1 ZINC001169042457 969362447 /nfs/dbraw/zinc/36/24/47/969362447.db2.gz DOSKTSLADQMSIV-QCNOEVLYSA-N 1 0 242.319 1.541 20 5 BDBDRO CC(=O)[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169049231 969365371 /nfs/dbraw/zinc/36/53/71/969365371.db2.gz WJDNMEBXMSQLDD-TUAOUCFPSA-N 1 0 240.303 1.343 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)ccn1 ZINC001226766234 975067502 /nfs/dbraw/zinc/06/75/02/975067502.db2.gz ZDMHHFPLIRLLMG-VIFPVBQESA-N 1 0 213.276 1.694 20 5 BDBDRO C[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC001332850523 975289740 /nfs/dbraw/zinc/28/97/40/975289740.db2.gz XRIRPGHQSMSTST-VWYCJHECSA-N 1 0 212.293 1.774 20 5 BDBDRO CC(C)(C)OCCC[NH2+]CC[N+](=O)[O-] ZINC001335409466 977035261 /nfs/dbraw/zinc/03/52/61/977035261.db2.gz UKBJXFAOTWZRNN-UHFFFAOYSA-N 1 0 204.270 1.058 20 5 BDBDRO CCOc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1 ZINC001356548379 983626684 /nfs/dbraw/zinc/62/66/84/983626684.db2.gz MHRPFCCWRIIUIZ-UHFFFAOYSA-N 1 0 238.287 1.494 20 5 BDBDRO CC[C@H]1OC(=O)C(OCCC[N+](C)(C)C)=C1C ZINC001224624471 973808571 /nfs/dbraw/zinc/80/85/71/973808571.db2.gz WPZZCEUQKHMCJF-LLVKDONJSA-N 1 0 242.339 1.709 20 5 BDBDRO C[N@@H+]1CCCC[C@H]1CO[C@H](C[N+](=O)[O-])C1CC1 ZINC001224708316 973879920 /nfs/dbraw/zinc/87/99/20/973879920.db2.gz XHAQYDUDXMPZHR-NWDGAFQWSA-N 1 0 242.319 1.543 20 5 BDBDRO CC(=O)OCCCCO[C@H](C)C[N+](C)(C)C ZINC001224718841 973887662 /nfs/dbraw/zinc/88/76/62/973887662.db2.gz FNZFBBFFMDPVEE-LLVKDONJSA-N 1 0 232.344 1.441 20 5 BDBDRO CCC[C@@H](OCC[N+](C)(C)C)C(=O)OCC ZINC001224772041 973936941 /nfs/dbraw/zinc/93/69/41/973936941.db2.gz WIKCPWOWBOIMOE-LLVKDONJSA-N 1 0 232.344 1.441 20 5 BDBDRO O=[N+]([O-])c1ccnc(Cl)c1O[C@H]1CC[NH2+]C1 ZINC001218178253 971611622 /nfs/dbraw/zinc/61/16/22/971611622.db2.gz YTAZLZKFUWHSNJ-LURJTMIESA-N 1 0 243.650 1.384 20 5 BDBDRO O=[N+]([O-])c1cc(O[C@H]2CC[NH2+]C2)ccc1F ZINC001218178035 971612376 /nfs/dbraw/zinc/61/23/76/971612376.db2.gz RFDLROJDRDJKEN-QMMMGPOBSA-N 1 0 226.207 1.475 20 5 BDBDRO O=[N+]([O-])c1ccc(O)c(O[C@H]2CC[NH2+]C2)c1 ZINC001218181120 971614004 /nfs/dbraw/zinc/61/40/04/971614004.db2.gz HRKQQOFFKAQCFN-QMMMGPOBSA-N 1 0 224.216 1.041 20 5 BDBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]C1 ZINC001218184181 971622172 /nfs/dbraw/zinc/62/21/72/971622172.db2.gz ZEDNMPZPLGSMAW-VIFPVBQESA-N 1 0 240.234 1.783 20 5 BDBDRO Nc1ccc(O[C@@H]2CCC23C[NH2+]C3)cc1[N+](=O)[O-] 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CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225634368 962463547 /nfs/dbraw/zinc/46/35/47/962463547.db2.gz VZNUHKLDSKOOSV-SNVBAGLBSA-N 1 0 237.259 1.463 20 5 BDBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cccc([N+](=O)[O-])n2)C1 ZINC001154975136 962926220 /nfs/dbraw/zinc/92/62/20/962926220.db2.gz HAVWYFXHRZHJFI-RKDXNWHRSA-N 1 0 236.275 1.672 20 5 BDBDRO C[C@@H]1C[C@@H](CNc2cccc([N+](=O)[O-])n2)C[NH2+]1 ZINC001155101008 962973665 /nfs/dbraw/zinc/97/36/65/962973665.db2.gz FCJVBSMWGHVUAO-RKDXNWHRSA-N 1 0 236.275 1.400 20 5 BDBDRO [NH3+]Cc1cccn1-c1ncc([N+](=O)[O-])cc1F ZINC001156723747 963445219 /nfs/dbraw/zinc/44/52/19/963445219.db2.gz FDMAGDDUVWQFEZ-UHFFFAOYSA-N 1 0 236.206 1.378 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C)C1 ZINC000052812602 963547827 /nfs/dbraw/zinc/54/78/27/963547827.db2.gz HCPWZGACMFGCQA-VIFPVBQESA-N 1 0 236.275 1.414 20 5 BDBDRO C[C@H]1[C@H]([NH3+])CCCN1c1cccc([N+](=O)[O-])n1 ZINC001157732838 963711214 /nfs/dbraw/zinc/71/12/14/963711214.db2.gz 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O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C23CC(C2)C3)C1 ZINC001168956501 969306100 /nfs/dbraw/zinc/30/61/00/969306100.db2.gz BHDWYXDFTHLYSE-BZCXBAJXSA-N 1 0 210.277 1.574 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001168958016 969306247 /nfs/dbraw/zinc/30/62/47/969306247.db2.gz KXCWVFMEGDHYJD-CMPLNLGQSA-N 1 0 235.287 1.617 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001168958363 969307650 /nfs/dbraw/zinc/30/76/50/969307650.db2.gz NDTWXNKJJMXPOW-WDEREUQCSA-N 1 0 235.287 1.617 20 5 BDBDRO CC(C)(CO)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958819 969309254 /nfs/dbraw/zinc/30/92/54/969309254.db2.gz QCFOHZKSONNPTO-UWVGGRQHSA-N 1 0 230.308 1.040 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccco2)C1 ZINC001168958804 969309494 /nfs/dbraw/zinc/30/94/94/969309494.db2.gz PUFNBLXQPSLCTE-VHSXEESVSA-N 1 0 224.260 1.815 20 5 BDBDRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168961716 969313768 /nfs/dbraw/zinc/31/37/68/969313768.db2.gz 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O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCO1)C2 ZINC001254584985 969745421 /nfs/dbraw/zinc/74/54/21/969745421.db2.gz UVLSDMBJEUHXAZ-AAEUAGOBSA-N 1 0 248.282 1.441 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(-n2ccc(C[NH3+])c2)n1 ZINC001169725112 969815845 /nfs/dbraw/zinc/81/58/45/969815845.db2.gz IQVFKWDTARSVED-UHFFFAOYSA-N 1 0 232.243 1.548 20 5 BDBDRO COc1ccc([N+](=O)[O-])c(-n2ccc(C[NH3+])c2)n1 ZINC001169716832 969832839 /nfs/dbraw/zinc/83/28/39/969832839.db2.gz QSQSCXKKVSNYJV-UHFFFAOYSA-N 1 0 248.242 1.248 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCc1cccnn1 ZINC001222993657 972789752 /nfs/dbraw/zinc/78/97/52/972789752.db2.gz WRHWWAUICHUPRI-SNVBAGLBSA-N 1 0 210.301 1.088 20 5 BDBDRO Cc1cnc(CO[C@@H](C)C[N+](C)(C)C)nc1 ZINC001223203522 972876162 /nfs/dbraw/zinc/87/61/62/972876162.db2.gz GVRRZZPLCYSZGI-NSHDSACASA-N 1 0 224.328 1.396 20 5 BDBDRO COc1cccc(CO[C@@H](C)C[N+](C)(C)C)n1 ZINC001223468693 973086527 /nfs/dbraw/zinc/08/65/27/973086527.db2.gz SDLGYLGUNYVMJB-NSHDSACASA-N 1 0 239.339 1.702 20 5 BDBDRO C[N+](C)(C)CCCO[C@@H]1CCOC[C@H]1F ZINC001224621652 973802381 /nfs/dbraw/zinc/80/23/81/973802381.db2.gz YMPMNPXYPKEXLS-GHMZBOCLSA-N 1 0 220.308 1.226 20 5 BDBDRO C[N+](C)(C)CCCOC1CCC(=O)CC1 ZINC001224619282 973801561 /nfs/dbraw/zinc/80/15/61/973801561.db2.gz NFJLMBLRLRABMX-UHFFFAOYSA-N 1 0 214.329 1.611 20 5 BDBDRO CCOC[C@H](C)OCCC[N+](C)(C)C ZINC001224620764 973801785 /nfs/dbraw/zinc/80/17/85/973801785.db2.gz AVRJKHMWXTTWBS-NSHDSACASA-N 1 0 204.334 1.524 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCC1CC2(C1)OCCO2 ZINC001224638528 973815540 /nfs/dbraw/zinc/81/55/40/973815540.db2.gz ZMYBMYXXAPSBFI-NSHDSACASA-N 1 0 244.355 1.251 20 5 BDBDRO C[C@H]1CC[C@@H](COCC[N+](C)(C)C)O1 ZINC001224771539 973936467 /nfs/dbraw/zinc/93/64/67/973936467.db2.gz NVVZRTSGHQXLIF-QWRGUYRKSA-N 1 0 202.318 1.277 20 5 BDBDRO COC(=O)C1CCC(OCC[N+](C)(C)C)CC1 ZINC001224771982 973937592 /nfs/dbraw/zinc/93/75/92/973937592.db2.gz VGIWRKBWZRLCJU-UHFFFAOYSA-N 1 0 244.355 1.441 20 5 BDBDRO Cc1ncccc1O[C@H](C)C[N+](C)(C)C 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ZINC001226766233 975068049 /nfs/dbraw/zinc/06/80/49/975068049.db2.gz ZDMHHFPLIRLLMG-SECBINFHSA-N 1 0 213.276 1.694 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1c(O)cccc1O ZINC001227031329 975226220 /nfs/dbraw/zinc/22/62/20/975226220.db2.gz KTFAQTCTCYXQMO-SECBINFHSA-O 1 0 226.296 1.571 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c2c1CCCC2 ZINC001227102437 975277032 /nfs/dbraw/zinc/27/70/32/975277032.db2.gz HIYNXMUBZAAXSN-SNVBAGLBSA-N 1 0 238.355 1.762 20 5 BDBDRO Cc1ccncc1[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC001332835629 975291693 /nfs/dbraw/zinc/29/16/93/975291693.db2.gz PQMXIYWSKSOPFM-SECBINFHSA-N 1 0 209.249 1.317 20 5 BDBDRO C[C@H]1CC[N@H+](CC[N+](=O)[O-])CC1(C)C ZINC001332902658 975316621 /nfs/dbraw/zinc/31/66/21/975316621.db2.gz NZAHIOTUJTUUSP-VIFPVBQESA-N 1 0 200.282 1.631 20 5 BDBDRO C[C@@H](C[NH+](C)C)Oc1cncc([N+](=O)[O-])c1 ZINC001227987028 975834980 /nfs/dbraw/zinc/83/49/80/975834980.db2.gz DATZZJZUSHNNMW-QMMMGPOBSA-N 1 0 225.248 1.319 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cncc(O)c1 ZINC001228893615 976558897 /nfs/dbraw/zinc/55/88/97/976558897.db2.gz VPWRZVNMWXWAID-SECBINFHSA-O 1 0 211.285 1.261 20 5 BDBDRO CC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cn1 ZINC001229012933 976649005 /nfs/dbraw/zinc/64/90/05/976649005.db2.gz OUYLRUSTEOPSQU-SNVBAGLBSA-N 1 0 237.323 1.758 20 5 BDBDRO Cc1ccc(O[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001230143633 977119924 /nfs/dbraw/zinc/11/99/24/977119924.db2.gz NCWGBVJLWIGKCR-JTQLQIEISA-N 1 0 236.271 1.986 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2nccn2c1 ZINC001233756045 978689901 /nfs/dbraw/zinc/68/99/01/978689901.db2.gz WHSWACUVSBPRCA-NSHDSACASA-N 1 0 234.323 1.808 20 5 BDBDRO Cc1c(=O)cc[nH]c1O[C@@H](C)C[N+](C)(C)C ZINC001234175899 978786116 /nfs/dbraw/zinc/78/61/16/978786116.db2.gz BJELLGMUWUMBDJ-VIFPVBQESA-O 1 0 225.312 1.569 20 5 BDBDRO Cc1c(C(=O)N[C@H]2C[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC001343616695 980164984 /nfs/dbraw/zinc/16/49/84/980164984.db2.gz CXULGFSXDGMTGQ-KYZUINATSA-N 1 0 249.270 1.123 20 5 BDBDRO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)N1 ZINC001246970152 988799680 /nfs/dbraw/zinc/79/96/80/988799680.db2.gz SKGXAQVBZLOTLN-WHOHXGKFSA-N 1 0 241.335 1.114 20 5 BDBDRO Cc1cc(NC(=O)C(C)(C)[NH3+])cc([N+](=O)[O-])c1 ZINC001122598976 990421390 /nfs/dbraw/zinc/42/13/90/990421390.db2.gz FQJUQODBIVOUIW-UHFFFAOYSA-N 1 0 237.259 1.579 20 5 BDBDRO Cc1cc(N[C@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000086003034 136211826 /nfs/dbraw/zinc/21/18/26/136211826.db2.gz WPZQKVABCDVVJT-QMMMGPOBSA-N 1 0 222.248 1.072 20 5 BDBDRO C[C@H](NC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000576218757 365525351 /nfs/dbraw/zinc/52/53/51/365525351.db2.gz NUQXAGIEMSCULG-QMMMGPOBSA-N 1 0 221.260 1.217 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[NH2+]CC1 ZINC000036226186 178274514 /nfs/dbraw/zinc/27/45/14/178274514.db2.gz NTRPGRAERNBXKP-UHFFFAOYSA-N 1 0 236.275 1.098 20 5 BDBDRO Cn1cc(C[NH+]2CCCCCC2)c([N+](=O)[O-])n1 ZINC000602428621 349533480 /nfs/dbraw/zinc/53/34/80/349533480.db2.gz QERIHFLJSXJVKX-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/91/45/28/346914528.db2.gz FBQNMSDOSZDYSL-SECBINFHSA-N 1 0 224.260 1.108 20 5 BDBDRO C[C@@H](N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000043327200 343051381 /nfs/dbraw/zinc/05/13/81/343051381.db2.gz ONXLDCQVQYDUAP-PWSUYJOCSA-N 1 0 249.314 1.997 20 5 BDBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000386835046 343123202 /nfs/dbraw/zinc/12/32/02/343123202.db2.gz ILXGVVSMAKFICH-KOLCDFICSA-N 1 0 238.287 1.844 20 5 BDBDRO C[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000035602129 343299220 /nfs/dbraw/zinc/29/92/20/343299220.db2.gz UNUYPZPPVKSWTB-IUCAKERBSA-N 1 0 224.260 1.626 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCCCO)c1 ZINC000013718159 343634183 /nfs/dbraw/zinc/63/41/83/343634183.db2.gz NJRWNEFDKBUUJJ-UHFFFAOYSA-N 1 0 238.287 1.847 20 5 BDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1ncccc1[N+](=O)[O-] ZINC000216226339 344119162 /nfs/dbraw/zinc/11/91/62/344119162.db2.gz MTWNDNXACVXXLT-BDAKNGLRSA-N 1 0 236.275 1.163 20 5 BDBDRO CCN(CC[NH3+])Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000600775275 344370883 /nfs/dbraw/zinc/37/08/83/344370883.db2.gz MTFMVWCYOJTUPI-UHFFFAOYSA-N 1 0 237.303 1.684 20 5 BDBDRO Cc1nc(N2CC[N@@H+]3CC[C@H]2C3)ccc1[N+](=O)[O-] ZINC000599082732 537862606 /nfs/dbraw/zinc/86/26/06/537862606.db2.gz GNYSUWUIFORAIG-JTQLQIEISA-N 1 0 248.286 1.193 20 5 BDBDRO C[NH2+]C(C)(C)CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601132501 346212922 /nfs/dbraw/zinc/21/29/22/346212922.db2.gz IHJSNXQDVIQMHO-UHFFFAOYSA-N 1 0 242.254 1.539 20 5 BDBDRO C[C@H]([NH3+])CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000591581456 347678527 /nfs/dbraw/zinc/67/85/27/347678527.db2.gz XBQCXFNLXCCUKJ-IUCAKERBSA-N 1 0 223.276 1.593 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000594998877 348168423 /nfs/dbraw/zinc/16/84/23/348168423.db2.gz KLMRTUKMSXXRIM-MGCOHNPYSA-N 1 0 222.244 1.208 20 5 BDBDRO C[NH2+]C[C@@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000596104585 348440383 /nfs/dbraw/zinc/44/03/83/348440383.db2.gz GRTWYWZZSYWLTJ-JPVGGKMYSA-N 1 0 249.314 1.806 20 5 BDBDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596655371 348599576 /nfs/dbraw/zinc/59/95/76/348599576.db2.gz VZNOFPIXYFBCFV-ZJUUUORDSA-N 1 0 237.303 1.853 20 5 BDBDRO C[NH2+]CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000420155754 192164411 /nfs/dbraw/zinc/16/44/11/192164411.db2.gz LOKXQRGMKBTBMV-UHFFFAOYSA-N 1 0 224.264 1.238 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2COC2)c1 ZINC000599010798 349075563 /nfs/dbraw/zinc/07/55/63/349075563.db2.gz DYPMHXXWGXZXCB-UHFFFAOYSA-N 1 0 222.244 1.331 20 5 BDBDRO C[C@@H]([NH2+]CC1COC1)c1cccc([N+](=O)[O-])c1 ZINC000599084955 349089926 /nfs/dbraw/zinc/08/99/26/349089926.db2.gz GVFDRSKRPYBDTC-SECBINFHSA-N 1 0 236.271 1.892 20 5 BDBDRO CN(CCC[NH3+])C(=O)c1cccc([N+](=O)[O-])c1 ZINC000122222489 362946458 /nfs/dbraw/zinc/94/64/58/362946458.db2.gz CJHUYSUAEQTFPV-UHFFFAOYSA-N 1 0 237.259 1.016 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH3+])C1 ZINC000050227977 350315475 /nfs/dbraw/zinc/31/54/75/350315475.db2.gz FMUAHKRWAQYRFL-UWVGGRQHSA-N 1 0 235.287 1.689 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(OC[C@H]2CC[NH2+]C2)c1 ZINC000051890669 350549379 /nfs/dbraw/zinc/54/93/79/350549379.db2.gz YMUDHOYKKRUXKM-JTQLQIEISA-N 1 0 236.271 1.892 20 5 BDBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000292196143 350890484 /nfs/dbraw/zinc/89/04/84/350890484.db2.gz NODQBXKNRHIBBF-SNVBAGLBSA-N 1 0 238.287 1.798 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000035053889 351393847 /nfs/dbraw/zinc/39/38/47/351393847.db2.gz GLVTVSBNEDEEBM-SNVBAGLBSA-N 1 0 249.270 1.594 20 5 BDBDRO Cc1c(CNC(=O)C2([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000231856346 351411777 /nfs/dbraw/zinc/41/17/77/351411777.db2.gz BTWJBLHBMOYKJH-UHFFFAOYSA-N 1 0 249.270 1.011 20 5 BDBDRO Cc1cccc(NC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000235891633 188143977 /nfs/dbraw/zinc/14/39/77/188143977.db2.gz AOHWIQHGBQGTME-SNVBAGLBSA-N 1 0 235.287 1.925 20 5 BDBDRO CC(C)([NH3+])CNCc1ccccc1[N+](=O)[O-] ZINC000261561225 535209529 /nfs/dbraw/zinc/20/95/29/535209529.db2.gz AMQWMVPPOXICTB-UHFFFAOYSA-N 1 0 223.276 1.422 20 5 BDBDRO Cc1c(CN2CC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000050243865 188219574 /nfs/dbraw/zinc/21/95/74/188219574.db2.gz CGXSYPLMOUIKDM-LLVKDONJSA-N 1 0 235.287 1.436 20 5 BDBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[NH2+]C2)cc1 ZINC000415064208 191666543 /nfs/dbraw/zinc/66/65/43/191666543.db2.gz CASLGHZISGPNRZ-GFCCVEGCSA-N 1 0 249.314 1.827 20 5 BDBDRO COc1cc(Cn2ccnc2)ccc1[N+](=O)[O-] ZINC000034423561 355889715 /nfs/dbraw/zinc/88/97/15/355889715.db2.gz PMTDIUBNLUWYEZ-UHFFFAOYSA-N 1 0 233.227 1.848 20 5 BDBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])nc1 ZINC000053297652 356227967 /nfs/dbraw/zinc/22/79/67/356227967.db2.gz IAOGLBOVFBWDKL-SECBINFHSA-N 1 0 238.291 1.742 20 5 BDBDRO CN(CC[NH3+])c1nc2ccccc2cc1[N+](=O)[O-] ZINC000420281530 192199685 /nfs/dbraw/zinc/19/96/85/192199685.db2.gz MCAGQXIPWDTVDX-UHFFFAOYSA-N 1 0 246.270 1.538 20 5 BDBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000352186189 134099369 /nfs/dbraw/zinc/09/93/69/134099369.db2.gz JSPDMANRXCKFKQ-SNVBAGLBSA-N 1 0 238.287 1.798 20 5 BDBDRO C[C@H](CO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000088195092 356590645 /nfs/dbraw/zinc/59/06/45/356590645.db2.gz WXHLBYKRVOOHOA-VIFPVBQESA-N 1 0 224.260 1.313 20 5 BDBDRO [NH3+][C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000346630516 357118829 /nfs/dbraw/zinc/11/88/29/357118829.db2.gz CMBJLIZPIDIVGI-PYEVWLCESA-N 1 0 247.298 1.641 20 5 BDBDRO C[C@H]1CC[NH2+]C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000389751685 358436518 /nfs/dbraw/zinc/43/65/18/358436518.db2.gz LRBJJHFFFRMDIN-BQBZGAKWSA-N 1 0 242.304 1.461 20 5 BDBDRO CC1(C)CN(c2ccc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000212795685 359290347 /nfs/dbraw/zinc/29/03/47/359290347.db2.gz IVIHCPRYXYISRN-UHFFFAOYSA-N 1 0 236.275 1.178 20 5 BDBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000088058543 359935763 /nfs/dbraw/zinc/93/57/63/359935763.db2.gz IZAHUSGUTKGWSJ-JTQLQIEISA-N 1 0 235.287 1.389 20 5 BDBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000424330792 200913936 /nfs/dbraw/zinc/91/39/36/200913936.db2.gz IIRPSRRCTQUHAW-CHWSQXEVSA-N 1 0 249.314 1.954 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCO2)cs1 ZINC000037472328 364053669 /nfs/dbraw/zinc/05/36/69/364053669.db2.gz XYACERYLVIUFFV-SECBINFHSA-N 1 0 242.300 1.925 20 5 BDBDRO CCC[C@H](NCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037712699 364542700 /nfs/dbraw/zinc/54/27/00/364542700.db2.gz RHBAGAABKOUUET-LBPRGKRZSA-N 1 0 237.303 1.984 20 5 BDBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000107571832 369353646 /nfs/dbraw/zinc/35/36/46/369353646.db2.gz UBDCGIUGVZKDTD-GHMZBOCLSA-N 1 0 247.298 1.559 20 5 BDBDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CO1 ZINC000401952633 369375756 /nfs/dbraw/zinc/37/57/56/369375756.db2.gz VVUCSGPXUWRNEQ-ONGXEEELSA-N 1 0 236.271 1.862 20 5 BDBDRO Cc1ccc([C@H](C)[NH2+]CC(N)=O)cc1[N+](=O)[O-] ZINC000020083351 370236232 /nfs/dbraw/zinc/23/62/32/370236232.db2.gz JVCDDWQVBSNIGT-QMMMGPOBSA-N 1 0 237.259 1.039 20 5 BDBDRO CC[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331021071 371269080 /nfs/dbraw/zinc/26/90/80/371269080.db2.gz YBIXYGFRDBEGGX-SNVBAGLBSA-N 1 0 238.291 1.666 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2C[NH3+])c1 ZINC000156223926 371361271 /nfs/dbraw/zinc/36/12/71/371361271.db2.gz MQUMYMLJKCGNKS-SNVBAGLBSA-N 1 0 235.287 1.831 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCN1CCC1 ZINC000350102448 371554405 /nfs/dbraw/zinc/55/44/05/371554405.db2.gz PQGCBGGBGCXXAC-UHFFFAOYSA-N 1 0 249.314 1.699 20 5 BDBDRO C[C@H]1C[C@H]([NH3+])CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000601328894 371747711 /nfs/dbraw/zinc/74/77/11/371747711.db2.gz BUDAUDDDOMENRN-JQWIXIFHSA-N 1 0 249.314 1.559 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327794 371748591 /nfs/dbraw/zinc/74/85/91/371748591.db2.gz YIUMSSNNWPQOJN-QWRGUYRKSA-N 1 0 233.271 1.141 20 5 BDBDRO CC1(O)CN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000602688589 371830401 /nfs/dbraw/zinc/83/04/01/371830401.db2.gz LCYQINCTTFZYCN-XQRVVYSFSA-N 1 0 248.282 1.675 20 5 BDBDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602449140 371805356 /nfs/dbraw/zinc/80/53/56/371805356.db2.gz NRUPSVZJMXPSHL-QMMMGPOBSA-N 1 0 224.264 1.170 20 5 BDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000602598991 371823082 /nfs/dbraw/zinc/82/30/82/371823082.db2.gz NHCQPUYYJLNUQA-SCZZXKLOSA-N 1 0 249.270 1.157 20 5 BDBDRO CC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])COC1 ZINC000602739109 371836918 /nfs/dbraw/zinc/83/69/18/371836918.db2.gz JGEXFCKGMZZDBR-GQCTYLIASA-N 1 0 248.282 1.987 20 5 BDBDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000134181397 372174729 /nfs/dbraw/zinc/17/47/29/372174729.db2.gz YJBHGOXMACEMHL-CABZTGNLSA-N 1 0 236.271 1.862 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCn1ccnc1 ZINC000041063671 374102453 /nfs/dbraw/zinc/10/24/53/374102453.db2.gz ONOOYPZHYWKMSJ-UHFFFAOYSA-N 1 0 246.270 1.581 20 5 BDBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174846651 374270145 /nfs/dbraw/zinc/27/01/45/374270145.db2.gz BCLOEQNHIIVTFQ-UHFFFAOYSA-N 1 0 238.291 1.666 20 5 BDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000071397033 182329525 /nfs/dbraw/zinc/32/95/25/182329525.db2.gz SXUMKRMTEYGMOS-JTQLQIEISA-N 1 0 249.270 1.077 20 5 BDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000071397035 182329848 /nfs/dbraw/zinc/32/98/48/182329848.db2.gz PWMLRWDTRVJDTF-JTQLQIEISA-N 1 0 249.270 1.077 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[C@@H]2CCC[NH2+]C2)c1 ZINC000051919950 182960889 /nfs/dbraw/zinc/96/08/89/182960889.db2.gz BUSCQMMFQGWLPZ-VIFPVBQESA-N 1 0 224.264 1.181 20 5 BDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[NH2+]2)s1 ZINC000226779687 182958838 /nfs/dbraw/zinc/95/88/38/182958838.db2.gz LXOATTVJALTILQ-ZCFIWIBFSA-N 1 0 228.277 1.215 20 5 BDBDRO CCC[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000049825389 169167453 /nfs/dbraw/zinc/16/74/53/169167453.db2.gz VYCZVIQXMGWPGA-UHFFFAOYSA-N 1 0 238.287 1.799 20 5 BDBDRO CCC[NH2+]CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000054267513 169260436 /nfs/dbraw/zinc/26/04/36/169260436.db2.gz DATCYJCHNAITNC-UHFFFAOYSA-N 1 0 241.295 1.048 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+](C)C)n1 ZINC000088036084 383873634 /nfs/dbraw/zinc/87/36/34/383873634.db2.gz CTAPXKNXJFJNDC-UHFFFAOYSA-N 1 0 224.264 1.272 20 5 BDBDRO C[C@@H](C[NH3+])N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000235145625 384208245 /nfs/dbraw/zinc/20/82/45/384208245.db2.gz BNCNDUCLHWYKMW-IUCAKERBSA-N 1 0 223.276 1.593 20 5 BDBDRO C[C@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000336659238 384246933 /nfs/dbraw/zinc/24/69/33/384246933.db2.gz MXKHVKVGIXWUHS-ZCFIWIBFSA-N 1 0 243.288 1.123 20 5 BDBDRO Cc1cnc(N2C[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000235652362 384506370 /nfs/dbraw/zinc/50/63/70/384506370.db2.gz IRJCWZGSYQNHFC-IUCAKERBSA-N 1 0 236.275 1.082 20 5 BDBDRO CC[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000048346905 384487666 /nfs/dbraw/zinc/48/76/66/384487666.db2.gz XAWLYEKCIZYHBJ-UHFFFAOYSA-N 1 0 238.287 1.717 20 5 BDBDRO C[C@H](NCC(C)(C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423288367 384530910 /nfs/dbraw/zinc/53/09/10/384530910.db2.gz RWDTXXFRKBGEKZ-VIFPVBQESA-N 1 0 237.303 1.983 20 5 BDBDRO C[C@H](CO)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000158875041 384560900 /nfs/dbraw/zinc/56/09/00/384560900.db2.gz DLFLMWZCJBCZRY-SECBINFHSA-N 1 0 224.260 1.407 20 5 BDBDRO O=[N+]([O-])c1cccc(CNCCC[NH+]2CCC2)c1 ZINC000565214864 384620306 /nfs/dbraw/zinc/62/03/06/384620306.db2.gz JMQMRFQPFSZAJO-UHFFFAOYSA-N 1 0 249.314 1.780 20 5 BDBDRO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044386088 384655015 /nfs/dbraw/zinc/65/50/15/384655015.db2.gz CTSZGVNWDGPCJK-LLVKDONJSA-N 1 0 235.287 1.389 20 5 BDBDRO CN1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000044386090 384656547 /nfs/dbraw/zinc/65/65/47/384656547.db2.gz PTGBDXQGAXATQP-NSHDSACASA-N 1 0 235.287 1.389 20 5 BDBDRO Cc1c(CN(C)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000071311525 384814213 /nfs/dbraw/zinc/81/42/13/384814213.db2.gz LWCAPMSFKMFLSX-GFCCVEGCSA-N 1 0 249.314 1.697 20 5 BDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000450798962 384927858 /nfs/dbraw/zinc/92/78/58/384927858.db2.gz WERYGSYXJGIJPK-MFKMUULPSA-N 1 0 247.298 1.735 20 5 BDBDRO Cc1c(C[N@@H+](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000135506120 385032308 /nfs/dbraw/zinc/03/23/08/385032308.db2.gz FCTIFWBQSIXTAM-SECBINFHSA-N 1 0 238.287 1.716 20 5 BDBDRO C[NH+](C)[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000263987445 385190776 /nfs/dbraw/zinc/19/07/76/385190776.db2.gz FAEPGWLPYZFBNR-VIFPVBQESA-N 1 0 236.275 1.130 20 5 BDBDRO C[C@H]1[NH2+]CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000346684940 385256416 /nfs/dbraw/zinc/25/64/16/385256416.db2.gz SHDVWYXTYDFREZ-MNOVXSKESA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@H]1[NH2+]CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000396633931 385713340 /nfs/dbraw/zinc/71/33/40/385713340.db2.gz JSXOVQGLPHBIOX-MFKMUULPSA-N 1 0 249.314 1.825 20 5 BDBDRO CCCCN(CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355792955 385848354 /nfs/dbraw/zinc/84/83/54/385848354.db2.gz WKXHWVREXYDOKH-UHFFFAOYSA-N 1 0 240.307 1.950 20 5 BDBDRO Cc1ccc([C@H](C)NC(=O)C[NH3+])cc1[N+](=O)[O-] ZINC000237622892 386397793 /nfs/dbraw/zinc/39/77/93/386397793.db2.gz IUUZIRACGZWOMJ-QMMMGPOBSA-N 1 0 237.259 1.039 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000094663423 386465526 /nfs/dbraw/zinc/46/55/26/386465526.db2.gz FXPQDKMIWGXQIX-PHIMTYICSA-N 1 0 247.298 1.559 20 5 BDBDRO CC(C)([NH3+])CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414811333 386633683 /nfs/dbraw/zinc/63/36/83/386633683.db2.gz ZIODTZRFMODVSH-ALCCZGGFSA-N 1 0 249.314 1.935 20 5 BDBDRO C[C@@H](CC[NH3+])NCc1ccccc1[N+](=O)[O-] ZINC000414884930 387590947 /nfs/dbraw/zinc/59/09/47/387590947.db2.gz OLTUXCNNQGKFIA-VIFPVBQESA-N 1 0 223.276 1.422 20 5 BDBDRO O=[N+]([O-])c1ccccc1CNCC[C@H]1CCC[NH2+]1 ZINC000414907056 387599928 /nfs/dbraw/zinc/59/99/28/387599928.db2.gz QLFHPZPQXZUEDA-GFCCVEGCSA-N 1 0 249.314 1.827 20 5 BDBDRO C[C@@H](C[NH3+])N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000347032643 387842205 /nfs/dbraw/zinc/84/22/05/387842205.db2.gz ADIFOTNLUZSBMH-VIFPVBQESA-N 1 0 223.276 1.374 20 5 BDBDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000590661482 388128118 /nfs/dbraw/zinc/12/81/18/388128118.db2.gz WZSSFWKIOPVJNN-BXKDBHETSA-N 1 0 236.271 1.550 20 5 BDBDRO C[NH2+]CCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414863029 256628195 /nfs/dbraw/zinc/62/81/95/256628195.db2.gz WPZWEZLGTIKAEZ-UHFFFAOYSA-N 1 0 237.303 1.602 20 5 BDBDRO CC[N@H+](C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000162620753 388354502 /nfs/dbraw/zinc/35/45/02/388354502.db2.gz NDSPTMNHSIDUPW-UHFFFAOYSA-N 1 0 238.291 1.662 20 5 BDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[NH2+]C2)s1 ZINC000226779417 388355545 /nfs/dbraw/zinc/35/55/45/388355545.db2.gz IMBHMTYUYPTKSG-ZETCQYMHSA-N 1 0 242.304 1.463 20 5 BDBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000164604174 388395163 /nfs/dbraw/zinc/39/51/63/388395163.db2.gz YBJJJBUQSIQQGF-HTQZYQBOSA-N 1 0 244.316 1.905 20 5 BDBDRO Cc1cnc(N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692620 388470513 /nfs/dbraw/zinc/47/05/13/388470513.db2.gz STPZDGJKQDGRAE-SECBINFHSA-N 1 0 236.275 1.462 20 5 BDBDRO CN(CC[NH3+])Cc1csc([N+](=O)[O-])c1 ZINC000054417072 388518852 /nfs/dbraw/zinc/51/88/52/388518852.db2.gz ICWDYKZFGDKDDE-UHFFFAOYSA-N 1 0 215.278 1.047 20 5 BDBDRO C[NH+](C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000090998141 388589911 /nfs/dbraw/zinc/58/99/11/388589911.db2.gz XJUAYALAABJFCI-UHFFFAOYSA-N 1 0 244.682 1.617 20 5 BDBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000422950533 388686678 /nfs/dbraw/zinc/68/66/78/388686678.db2.gz WIAQGYCBOAKIKD-VIFPVBQESA-N 1 0 235.287 1.292 20 5 BDBDRO C[C@H](NCc1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000422932968 388686735 /nfs/dbraw/zinc/68/67/35/388686735.db2.gz AZXLLDZYXXEBQL-VIFPVBQESA-N 1 0 235.287 1.292 20 5 BDBDRO Cc1c([C@H](C)NCC[NH3+])cccc1[N+](=O)[O-] ZINC000423183498 388688730 /nfs/dbraw/zinc/68/87/30/388688730.db2.gz MJQCRBXGKKATTD-VIFPVBQESA-N 1 0 223.276 1.513 20 5 BDBDRO Cc1c([C@H](C)N[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423210218 388688775 /nfs/dbraw/zinc/68/87/75/388688775.db2.gz WLAAFPIBQXBKMZ-QWRGUYRKSA-N 1 0 249.314 1.916 20 5 BDBDRO Cc1cnc(OC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000330871361 388762063 /nfs/dbraw/zinc/76/20/63/388762063.db2.gz GFXZNCNFGYXYHX-SECBINFHSA-N 1 0 239.275 1.627 20 5 BDBDRO Cc1ccc([C@@H](C)[NH2+]CCO)cc1[N+](=O)[O-] ZINC000020596871 388779140 /nfs/dbraw/zinc/77/91/40/388779140.db2.gz WFVDPJUNDCOECE-SECBINFHSA-N 1 0 224.260 1.546 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([NH3+])CC2)c1 ZINC000094663223 132239267 /nfs/dbraw/zinc/23/92/67/132239267.db2.gz LPQOLRPMNQXCKX-UHFFFAOYSA-N 1 0 235.287 1.831 20 5 BDBDRO Cc1nc(N2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000118675088 132438866 /nfs/dbraw/zinc/43/88/66/132438866.db2.gz URQTUBYVIIDIRE-QMMMGPOBSA-N 1 0 236.275 1.096 20 5 BDBDRO CC(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352097287 134063964 /nfs/dbraw/zinc/06/39/64/134063964.db2.gz QOVDTSQNWCJPNE-UHFFFAOYSA-N 1 0 234.259 1.969 20 5 BDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000174857539 134285167 /nfs/dbraw/zinc/28/51/67/134285167.db2.gz IKYBOFRKIYEQRY-UHFFFAOYSA-N 1 0 238.291 1.523 20 5 BDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH3+])C2)c1 ZINC000155920263 134703204 /nfs/dbraw/zinc/70/32/04/134703204.db2.gz JLIRXSIWJOSQSB-QMMMGPOBSA-N 1 0 237.259 1.141 20 5 BDBDRO Cc1cccc(N2C[C@H](C)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000261540164 135179233 /nfs/dbraw/zinc/17/92/33/135179233.db2.gz FELLPLWGPMHJDW-VHSXEESVSA-N 1 0 235.287 1.687 20 5 BDBDRO Cc1cnc(N2C[C@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000261541024 135180930 /nfs/dbraw/zinc/18/09/30/135180930.db2.gz IRJCWZGSYQNHFC-DTWKUNHWSA-N 1 0 236.275 1.082 20 5 BDBDRO C[C@@]1(C[NH3+])CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000261544067 135185193 /nfs/dbraw/zinc/18/51/93/135185193.db2.gz DOCOPRBIRVGDPP-NSHDSACASA-N 1 0 236.275 1.165 20 5 BDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[NH2+]C ZINC000261560147 135201201 /nfs/dbraw/zinc/20/12/01/135201201.db2.gz UFWKVYYBHMSBIN-SSDOTTSWSA-N 1 0 241.295 1.139 20 5 BDBDRO C[C@H]1[C@H]([NH3+])CCN1c1ccccc1[N+](=O)[O-] ZINC000261563872 135206119 /nfs/dbraw/zinc/20/61/19/135206119.db2.gz CEBGSAGHMMVQPK-DTWKUNHWSA-N 1 0 221.260 1.521 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261582242 135223354 /nfs/dbraw/zinc/22/33/54/135223354.db2.gz RBBPGUUOWBJZKL-ZJUUUORDSA-N 1 0 248.286 1.036 20 5 BDBDRO C[C@@H]1C[NH2+]CCN1Cc1csc([N+](=O)[O-])c1 ZINC000261738565 135249046 /nfs/dbraw/zinc/24/90/46/135249046.db2.gz IFXVORSPPOQRES-MRVPVSSYSA-N 1 0 241.316 1.450 20 5 BDBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)CCC1 ZINC000261871519 135258959 /nfs/dbraw/zinc/25/89/59/135258959.db2.gz VHGLJLWLOXOKKA-UHFFFAOYSA-N 1 0 249.230 1.311 20 5 BDBDRO CC(C)[C@@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267071534 167367479 /nfs/dbraw/zinc/36/74/79/167367479.db2.gz LCHHIOHGACQXAT-SNVBAGLBSA-N 1 0 240.307 1.768 20 5 BDBDRO O=[N+]([O-])c1cnccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044725863 411140127 /nfs/dbraw/zinc/14/01/27/411140127.db2.gz ZSLSZGYQTOVZIP-SECBINFHSA-N 1 0 248.286 1.638 20 5 BDBDRO CC1=CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000270320876 168115490 /nfs/dbraw/zinc/11/54/90/168115490.db2.gz KGQASMCIYWWXAG-UHFFFAOYSA-N 1 0 236.275 1.443 20 5 BDBDRO CCNC(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC000052044419 170041908 /nfs/dbraw/zinc/04/19/08/170041908.db2.gz KWHHVKACQCFQRO-UHFFFAOYSA-N 1 0 222.248 1.229 20 5 BDBDRO Cn1cnc([N+](=O)[O-])c1NCC(C)(C)[NH+](C)C ZINC000029848120 172397584 /nfs/dbraw/zinc/39/75/84/172397584.db2.gz DYGRMPSCUMRSFS-UHFFFAOYSA-N 1 0 241.295 1.080 20 5 BDBDRO C[NH2+]CCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000124785166 173345661 /nfs/dbraw/zinc/34/56/61/173345661.db2.gz FPWQBUQWIAWTHE-UHFFFAOYSA-N 1 0 237.303 1.636 20 5 BDBDRO C[NH2+]C[C@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000133328802 173380509 /nfs/dbraw/zinc/38/05/09/173380509.db2.gz FCGNEDKYMIVSJL-SECBINFHSA-N 1 0 236.275 1.178 20 5 BDBDRO COC[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000044478304 174442853 /nfs/dbraw/zinc/44/28/53/174442853.db2.gz BQKIGXDZZUODSR-JTQLQIEISA-N 1 0 238.287 1.967 20 5 BDBDRO COC[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000135164740 174547352 /nfs/dbraw/zinc/54/73/52/174547352.db2.gz SGNOARYVOHKCDH-JTQLQIEISA-N 1 0 238.287 1.762 20 5 BDBDRO C[C@@H](CCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000096811702 175681673 /nfs/dbraw/zinc/68/16/73/175681673.db2.gz UOHUBEPHPMXLRN-VIFPVBQESA-N 1 0 224.260 1.455 20 5 BDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000235366099 176261811 /nfs/dbraw/zinc/26/18/11/176261811.db2.gz ITVGDKCKCGUORZ-KCJUWKMLSA-N 1 0 249.270 1.014 20 5 BDBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000351810984 176305678 /nfs/dbraw/zinc/30/56/78/176305678.db2.gz OLMPZJFMKMMXRX-BXKDBHETSA-N 1 0 236.271 1.407 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](C)C1 ZINC000251540903 176316670 /nfs/dbraw/zinc/31/66/70/176316670.db2.gz ATDKVSYPPVPJKP-GHMZBOCLSA-N 1 0 249.314 1.950 20 5 BDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccccc1[N+](=O)[O-] ZINC000126102133 176369001 /nfs/dbraw/zinc/36/90/01/176369001.db2.gz XJSSFBABKUAJMX-ZJUUUORDSA-N 1 0 235.287 1.768 20 5 BDBDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226784271 176459688 /nfs/dbraw/zinc/45/96/88/176459688.db2.gz XXSRJBKCLARXJQ-NKWVEPMBSA-N 1 0 242.304 1.604 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[NH3+] ZINC000054417032 177042266 /nfs/dbraw/zinc/04/22/66/177042266.db2.gz CWLNYPTUFFVQAW-SECBINFHSA-N 1 0 223.276 1.546 20 5 BDBDRO C[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176190490 177076641 /nfs/dbraw/zinc/07/66/41/177076641.db2.gz XQNWJXUHRGGQFA-JTQLQIEISA-N 1 0 238.291 1.666 20 5 BDBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc([N+](=O)[O-])c1 ZINC000125814239 177324938 /nfs/dbraw/zinc/32/49/38/177324938.db2.gz JMZIWLJKDCSXLF-JQWIXIFHSA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000229602857 177396421 /nfs/dbraw/zinc/39/64/21/177396421.db2.gz ILGAVPGEIUQHCT-PSASIEDQSA-N 1 0 236.275 1.542 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2c1CCC2 ZINC001226381720 974871848 /nfs/dbraw/zinc/87/18/48/974871848.db2.gz PIQPGVXUSDPYGP-JTQLQIEISA-N 1 0 236.339 1.439 20 5 BDBDRO C[C@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570410176 323058697 /nfs/dbraw/zinc/05/86/97/323058697.db2.gz FWUIJOMYHXGDFZ-KWQFWETISA-N 1 0 236.271 1.553 20 5 BDBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(C3CC3)CC2)n1 ZINC000543454502 325089726 /nfs/dbraw/zinc/08/97/26/325089726.db2.gz DYNZVZLLPIQFHR-UHFFFAOYSA-N 1 0 236.275 1.324 20 5 BDBDRO C[C@@H](O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000078781826 325431456 /nfs/dbraw/zinc/43/14/56/325431456.db2.gz COWMWPATCHFTPW-SSDOTTSWSA-N 1 0 230.289 1.517 20 5 BDBDRO C[NH2+][C@H](C)CNc1nccc(C)c1[N+](=O)[O-] ZINC000261596410 536405012 /nfs/dbraw/zinc/40/50/12/536405012.db2.gz YVHNVRHPEIZBMU-MRVPVSSYSA-N 1 0 224.264 1.318 20 5 BDBDRO C[NH2+][C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000053204919 536415564 /nfs/dbraw/zinc/41/55/64/536415564.db2.gz ULIJJPDCSQMDHJ-VIFPVBQESA-N 1 0 236.275 1.178 20 5 BDBDRO C[N@@H+]1C[C@H]2CCN(c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000893940408 583255180 /nfs/dbraw/zinc/25/51/80/583255180.db2.gz OHWMBLKFPAERRD-KOLCDFICSA-N 1 0 248.286 1.130 20 5 BDBDRO Cc1nn(CCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000899630023 584221988 /nfs/dbraw/zinc/22/19/88/584221988.db2.gz MOYUHWLWYNANFK-UHFFFAOYSA-N 1 0 224.264 1.242 20 5 BDBDRO CN(C)[C@H](C[NH2+]CC[N+](=O)[O-])c1cccs1 ZINC000899859671 584242507 /nfs/dbraw/zinc/24/25/07/584242507.db2.gz MBGWLCJGNWBWCJ-SECBINFHSA-N 1 0 243.332 1.217 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000899888041 584247415 /nfs/dbraw/zinc/24/74/15/584247415.db2.gz XYEJUVSQXCEDGP-MNOVXSKESA-N 1 0 210.277 1.384 20 5 BDBDRO CCc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000899892841 584248856 /nfs/dbraw/zinc/24/88/56/584248856.db2.gz ZCFGZKHYYTVHAN-UHFFFAOYSA-N 1 0 208.261 1.615 20 5 BDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC=CCC2)c1 ZINC000778969361 585743173 /nfs/dbraw/zinc/74/31/73/585743173.db2.gz KLCBQWWHDGXLIM-ZDUSSCGKSA-N 1 0 248.282 1.890 20 5 BDBDRO Cc1cccnc1[C@@H]([NH2+]CC[N+](=O)[O-])C(C)C ZINC000791055782 585973738 /nfs/dbraw/zinc/97/37/38/585973738.db2.gz XKEPDAWPMUFZNH-NSHDSACASA-N 1 0 237.303 1.953 20 5 BDBDRO CCSCC[C@@H](C)[N@H+](C)CC[N+](=O)[O-] ZINC000798197243 586140212 /nfs/dbraw/zinc/14/02/12/586140212.db2.gz PWWUGCQOFFRKNZ-SECBINFHSA-N 1 0 220.338 1.727 20 5 BDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000828987813 587477756 /nfs/dbraw/zinc/47/77/56/587477756.db2.gz LWGBFULVJHWFDZ-MFKMUULPSA-N 1 0 247.298 1.735 20 5 BDBDRO CNC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000848995407 588428597 /nfs/dbraw/zinc/42/85/97/588428597.db2.gz SNXVYFWUTGBSCI-UHFFFAOYSA-N 1 0 242.666 1.492 20 5 BDBDRO CC[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000119486117 589294497 /nfs/dbraw/zinc/29/44/97/589294497.db2.gz PVXIFBOHPYQFNR-VIFPVBQESA-N 1 0 224.264 1.481 20 5 BDBDRO C[C@@H]([NH2+]C[C@H](C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872016323 589856151 /nfs/dbraw/zinc/85/61/51/589856151.db2.gz IDFXZOZIPJGRHP-JGVFFNPUSA-N 1 0 242.250 1.765 20 5 BDBDRO C[C@@H]([NH2+]CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872018624 589856943 /nfs/dbraw/zinc/85/69/43/589856943.db2.gz OCOQJDPABBUDKO-SSDOTTSWSA-N 1 0 228.223 1.377 20 5 BDBDRO Cc1c(C[NH2+][C@H]2C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000873140194 589986119 /nfs/dbraw/zinc/98/61/19/589986119.db2.gz LGAJRPRYEUMTDG-XYPYZODXSA-N 1 0 236.271 1.516 20 5 BDBDRO C/C=C/C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877658292 590385665 /nfs/dbraw/zinc/38/56/65/590385665.db2.gz WDMINYRQIJNCQY-NSCUHMNNSA-N 1 0 236.275 1.661 20 5 BDBDRO Cc1noc(CN2CC[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000880300004 590995168 /nfs/dbraw/zinc/99/51/68/590995168.db2.gz OALOQMZLGZDJAT-QMMMGPOBSA-N 1 0 243.238 1.683 20 5 BDBDRO C[C@H](CCO)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000133080789 591762186 /nfs/dbraw/zinc/76/21/86/591762186.db2.gz JWIQGYBBOFZGIR-SNVBAGLBSA-N 1 0 238.287 1.498 20 5 BDBDRO Cc1ccc(NC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000133775717 591855759 /nfs/dbraw/zinc/85/57/59/591855759.db2.gz LYPOYJALRAYYNX-JTQLQIEISA-N 1 0 235.287 1.925 20 5 BDBDRO C[C@@H](NCc1cccnc1[N+](=O)[O-])c1cn[nH]c1 ZINC000886131616 592159463 /nfs/dbraw/zinc/15/94/63/592159463.db2.gz CBIXZONGVPENMX-MRVPVSSYSA-N 1 0 247.258 1.564 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348782 592214426 /nfs/dbraw/zinc/21/44/26/592214426.db2.gz SSUOSBFKRWCWLC-AOOOYVTPSA-N 1 0 236.275 1.051 20 5 BDBDRO CN(Cc1cccnc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000886841577 592362982 /nfs/dbraw/zinc/36/29/82/592362982.db2.gz PJRCXFHIZJVEBV-UHFFFAOYSA-N 1 0 238.291 1.159 20 5 BDBDRO C[C@@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1C ZINC000308685624 631523952 /nfs/dbraw/zinc/52/39/52/631523952.db2.gz ZIWKTJNQPHNJRZ-BBBLOLIVSA-N 1 0 200.282 1.677 20 5 BDBDRO CC1(C)C[N@H+](CC[N+](=O)[O-])CCS1 ZINC000307679890 635951694 /nfs/dbraw/zinc/95/16/94/635951694.db2.gz NUPBVQNBNFZBAP-UHFFFAOYSA-N 1 0 204.295 1.091 20 5 BDBDRO COCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648606 633857083 /nfs/dbraw/zinc/85/70/83/633857083.db2.gz VPVAWAALNUQVPS-UHFFFAOYSA-N 1 0 224.260 1.639 20 5 BDBDRO CO[C@]1(C)C[C@@H]([NH2+]CC[N+](=O)[O-])C1(C)C ZINC000930626800 633953980 /nfs/dbraw/zinc/95/39/80/633953980.db2.gz AYSHVUPHWBPBIX-PSASIEDQSA-N 1 0 216.281 1.056 20 5 BDBDRO Cc1c(C[NH2+]C2(CO)CC2)cccc1[N+](=O)[O-] ZINC000143040133 636234698 /nfs/dbraw/zinc/23/46/98/636234698.db2.gz CEPVSUSNELKZKU-UHFFFAOYSA-N 1 0 236.271 1.518 20 5 BDBDRO Cc1ccc(C[NH2+][C@H](C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000342187212 636327194 /nfs/dbraw/zinc/32/71/94/636327194.db2.gz FPILPZHPNJPNTA-ZJUUUORDSA-N 1 0 238.287 1.762 20 5 BDBDRO C[C@H](C[NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000054334702 636410053 /nfs/dbraw/zinc/41/00/53/636410053.db2.gz PRQAMBVXKCWDCF-SSDOTTSWSA-N 1 0 248.242 1.707 20 5 BDBDRO C[C@@H](C[NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000054334697 636411074 /nfs/dbraw/zinc/41/10/74/636411074.db2.gz OYIGHYHYBSRPET-ZETCQYMHSA-N 1 0 248.242 1.707 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000899886172 637147870 /nfs/dbraw/zinc/14/78/70/637147870.db2.gz RQKKNZBNMWHGFP-SNVBAGLBSA-N 1 0 210.277 1.528 20 5 BDBDRO CC(C)[C@@H]1[C@@H](C(C)C)C[N@@H+]1CC[N+](=O)[O-] ZINC000899886996 637148011 /nfs/dbraw/zinc/14/80/11/637148011.db2.gz MPLHWEZBFRMOMK-GHMZBOCLSA-N 1 0 214.309 1.876 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1cccc2cccnc21 ZINC000905031119 637577821 /nfs/dbraw/zinc/57/78/21/637577821.db2.gz LPBBVGRVJJLCBG-UHFFFAOYSA-N 1 0 245.282 1.644 20 5 BDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NCC[N+](=O)[O-] ZINC000905066040 637598320 /nfs/dbraw/zinc/59/83/20/637598320.db2.gz AURMHVZRZILNOU-TUAOUCFPSA-N 1 0 243.351 1.219 20 5 BDBDRO CN(C)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1F ZINC000905076331 637606985 /nfs/dbraw/zinc/60/69/85/637606985.db2.gz OOBOGHDRDKNYOM-UHFFFAOYSA-N 1 0 241.266 1.258 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCOc1ccc(F)c(F)c1 ZINC000905094445 637631215 /nfs/dbraw/zinc/63/12/15/637631215.db2.gz FLMNAPKVNWOQSL-UHFFFAOYSA-N 1 0 246.213 1.210 20 5 BDBDRO Cc1cccc2c(CC[NH2+]CC[N+](=O)[O-])c[nH]c21 ZINC000905131329 637642191 /nfs/dbraw/zinc/64/21/91/637642191.db2.gz DVOOZXUZXKPTKE-UHFFFAOYSA-N 1 0 247.298 1.885 20 5 BDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])Oc1ccccc1F ZINC000905138339 637646678 /nfs/dbraw/zinc/64/66/78/637646678.db2.gz PZJUERVOKJPEKK-SECBINFHSA-N 1 0 242.250 1.459 20 5 BDBDRO CCSCC[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905143570 637651640 /nfs/dbraw/zinc/65/16/40/637651640.db2.gz BTOVXWMRJJTFAT-QMMMGPOBSA-N 1 0 206.311 1.384 20 5 BDBDRO CCS[C@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905147725 637657637 /nfs/dbraw/zinc/65/76/37/637657637.db2.gz LTORXYPZGWODJW-UWVGGRQHSA-N 1 0 232.349 1.917 20 5 BDBDRO COCCC1(C[NH2+]CC[N+](=O)[O-])CCCC1 ZINC000905171099 637681882 /nfs/dbraw/zinc/68/18/82/637681882.db2.gz SFPXLOMQPZDCDN-UHFFFAOYSA-N 1 0 230.308 1.450 20 5 BDBDRO CCC1(C[NH2+]CC[N+](=O)[O-])CCCC1 ZINC000905172534 637682627 /nfs/dbraw/zinc/68/26/27/637682627.db2.gz YZVHYTLVHZRLNV-UHFFFAOYSA-N 1 0 200.282 1.823 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000905177446 637684651 /nfs/dbraw/zinc/68/46/51/637684651.db2.gz VVMXJBSQCBKMGS-SNVBAGLBSA-N 1 0 228.292 1.345 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000905231637 637692416 /nfs/dbraw/zinc/69/24/16/637692416.db2.gz KTXIUXCIJXTENO-LLVKDONJSA-N 1 0 236.271 1.116 20 5 BDBDRO C[Si](C)(C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905214409 637700547 /nfs/dbraw/zinc/70/05/47/637700547.db2.gz VGNNNVXEFDATOV-UHFFFAOYSA-N 1 0 238.363 1.008 20 5 BDBDRO C[C@@H]1CCC[C@@H](C[NH2+]CC[N+](=O)[O-])[C@@H]1C ZINC000905247410 637707140 /nfs/dbraw/zinc/70/71/40/637707140.db2.gz JKAOVHJDNXIWNJ-MXWKQRLJSA-N 1 0 214.309 1.925 20 5 BDBDRO COCC(C)(C)CCC[NH2+]CC[N+](=O)[O-] ZINC000905260457 637715575 /nfs/dbraw/zinc/71/55/75/637715575.db2.gz BGMTWKDXRNIURI-UHFFFAOYSA-N 1 0 218.297 1.306 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1CCCCCC1 ZINC000905273865 637732384 /nfs/dbraw/zinc/73/23/84/637732384.db2.gz PXUVQVRHBHRXOX-UHFFFAOYSA-N 1 0 200.282 1.823 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCC1CC(F)(F)C1 ZINC000905278996 637735160 /nfs/dbraw/zinc/73/51/60/637735160.db2.gz HYOBNSOQERXNRR-UHFFFAOYSA-N 1 0 208.208 1.288 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C1CCC(OC(F)F)CC1 ZINC000905281461 637735211 /nfs/dbraw/zinc/73/52/11/637735211.db2.gz SNCSZRZHYCWADM-UHFFFAOYSA-N 1 0 238.234 1.403 20 5 BDBDRO O=[N+]([O-])CCNC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000905387539 637787109 /nfs/dbraw/zinc/78/71/09/637787109.db2.gz AOIBOFAIBBLYTH-GFCCVEGCSA-N 1 0 241.335 1.260 20 5 BDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000905363841 637788023 /nfs/dbraw/zinc/78/80/23/637788023.db2.gz GXKDTLQVAFYFFQ-KCJUWKMLSA-N 1 0 242.250 1.114 20 5 BDBDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]CC[N+](=O)[O-] ZINC000905368036 637789785 /nfs/dbraw/zinc/78/97/85/637789785.db2.gz XWMXGWFMNZZFMQ-BDAKNGLRSA-N 1 0 244.316 1.426 20 5 BDBDRO CCc1ccc([C@H](O)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905366752 637789820 /nfs/dbraw/zinc/78/98/20/637789820.db2.gz HVAVDFSOGXWLRO-GFCCVEGCSA-N 1 0 238.287 1.149 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1CCC2(CC2)CC1 ZINC000905404838 637797346 /nfs/dbraw/zinc/79/73/46/637797346.db2.gz PETFGGJCCVDUOH-UHFFFAOYSA-N 1 0 212.293 1.823 20 5 BDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000905415907 637803693 /nfs/dbraw/zinc/80/36/93/637803693.db2.gz TZJOMKUQJRSVHB-RYUDHWBXSA-N 1 0 238.287 1.365 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000905393942 637807085 /nfs/dbraw/zinc/80/70/85/637807085.db2.gz DDWNUHBWTUSOMR-GXSJLCMTSA-N 1 0 242.225 1.687 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(-c2cnco2)cc1 ZINC000906546773 638208568 /nfs/dbraw/zinc/20/85/68/638208568.db2.gz SMGMASBCJDPCPI-UHFFFAOYSA-N 1 0 247.254 1.708 20 5 BDBDRO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000042545351 639407510 /nfs/dbraw/zinc/40/75/10/639407510.db2.gz CCSLWDUBWZBBJG-PWSUYJOCSA-N 1 0 249.314 1.950 20 5 BDBDRO CC[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648927 639798067 /nfs/dbraw/zinc/79/80/67/639798067.db2.gz CZLBOPQLULHMDE-NSHDSACASA-N 1 0 238.287 1.764 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000930596829 639816375 /nfs/dbraw/zinc/81/63/75/639816375.db2.gz PUIXFEZEIHFEBZ-UHFFFAOYSA-N 1 0 242.319 1.280 20 5 BDBDRO CO[C@@H]1C[C@H]([N@H+](C)CC[N+](=O)[O-])C12CCC2 ZINC000930652827 639841215 /nfs/dbraw/zinc/84/12/15/639841215.db2.gz PJSNLSCBXYEDJE-VHSXEESVSA-N 1 0 228.292 1.153 20 5 BDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1CC1(C)C ZINC000930744589 639892759 /nfs/dbraw/zinc/89/27/59/639892759.db2.gz YEDGEUXSNIUAJY-RKDXNWHRSA-N 1 0 200.282 1.677 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000930861761 639954576 /nfs/dbraw/zinc/95/45/76/639954576.db2.gz DPHZDUPTMWBLEH-QMMMGPOBSA-N 1 0 220.219 1.384 20 5 BDBDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000932168485 640447791 /nfs/dbraw/zinc/44/77/91/640447791.db2.gz BKZUSCOPZCPWPQ-SNVBAGLBSA-N 1 0 230.308 1.543 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC(F)(C2CC2)CC1 ZINC000932629164 640591442 /nfs/dbraw/zinc/59/14/42/640591442.db2.gz QAWBPMZEZPNLSM-UHFFFAOYSA-N 1 0 216.256 1.477 20 5 BDBDRO [NH3+]C1CC(NCc2cccc([N+](=O)[O-])c2)C1 ZINC000087651881 640956717 /nfs/dbraw/zinc/95/67/17/640956717.db2.gz AEPIJQJVUFQFEF-UHFFFAOYSA-N 1 0 221.260 1.174 20 5 BDBDRO CN1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000042546038 641553165 /nfs/dbraw/zinc/55/31/65/641553165.db2.gz BZBBMCWKPFASHM-SECBINFHSA-N 1 0 241.316 1.450 20 5 BDBDRO CCC[NH+](CCC)Cn1cc([N+](=O)[O-])cn1 ZINC000075581673 641761918 /nfs/dbraw/zinc/76/19/18/641761918.db2.gz GWUQWLYHGZYFLY-UHFFFAOYSA-N 1 0 226.280 1.871 20 5 BDBDRO Cc1[nH]c(C)c(Cn2cc([N+](=O)[O-])ccc2=O)[nH+]1 ZINC000915567044 641838580 /nfs/dbraw/zinc/83/85/80/641838580.db2.gz HJBLQJRMCBJGLM-UHFFFAOYSA-N 1 0 248.242 1.145 20 5 BDBDRO [NH3+]C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000050245179 643657927 /nfs/dbraw/zinc/65/79/27/643657927.db2.gz NACYYNRFEMCPOG-SNVBAGLBSA-N 1 0 235.287 1.375 20 5 BDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)C[NH2+]1 ZINC000086471299 644467427 /nfs/dbraw/zinc/46/74/27/644467427.db2.gz XLDHWURQCDIMMW-BDAKNGLRSA-N 1 0 236.275 1.176 20 5 BDBDRO [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000093214531 644681061 /nfs/dbraw/zinc/68/10/61/644681061.db2.gz BXFFISOIOKGPSW-NEPJUHHUSA-N 1 0 249.314 1.954 20 5 BDBDRO [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000093215715 644682542 /nfs/dbraw/zinc/68/25/42/644682542.db2.gz DPPXWOVBOWINBR-RYUDHWBXSA-N 1 0 249.314 1.954 20 5 BDBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CC[N+](=O)[O-])C1 ZINC000929274025 646051922 /nfs/dbraw/zinc/05/19/22/646051922.db2.gz PQDOWASVIDJYDK-NXEZZACHSA-N 1 0 200.282 1.774 20 5 BDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH2+]CC1 ZINC000035307879 646229627 /nfs/dbraw/zinc/22/96/27/646229627.db2.gz ZMUJHPYHPWDKLC-UHFFFAOYSA-N 1 0 239.250 1.139 20 5 BDBDRO O=[N+]([O-])CCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000929691182 646246476 /nfs/dbraw/zinc/24/64/76/646246476.db2.gz ZOODDNFUAPWKFE-UHFFFAOYSA-N 1 0 241.335 1.213 20 5 BDBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CC[N+](=O)[O-])C1(C)C ZINC000929758203 646291930 /nfs/dbraw/zinc/29/19/30/646291930.db2.gz XPHCEIRBPYKZPS-KOLCDFICSA-N 1 0 230.308 1.399 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000930180841 646483010 /nfs/dbraw/zinc/48/30/10/646483010.db2.gz XWQDZKAAZSFACC-NEPJUHHUSA-N 1 0 242.319 1.402 20 5 BDBDRO Cc1ccc(CN(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000714069904 712477934 /nfs/dbraw/zinc/47/79/34/712477934.db2.gz LQNBPQWWBDXKIM-JTQLQIEISA-N 1 0 237.303 1.682 20 5 BDBDRO Cc1ccc(C[NH2+]Cc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000038006257 712798757 /nfs/dbraw/zinc/79/87/57/712798757.db2.gz IILPSNQPWMOGFR-UHFFFAOYSA-N 1 0 246.270 1.916 20 5 BDBDRO Cc1noc(C)c1CO[C@H](C)C[N+](C)(C)C ZINC001205730004 967805785 /nfs/dbraw/zinc/80/57/85/967805785.db2.gz ZDCTXRMGUNKXMB-SECBINFHSA-N 1 0 227.328 1.903 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C23CC(C2)C3)C1 ZINC001168956504 969307836 /nfs/dbraw/zinc/30/78/36/969307836.db2.gz BHDWYXDFTHLYSE-VKAADOFISA-N 1 0 210.277 1.574 20 5 BDBDRO COC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)C ZINC001168961597 969312100 /nfs/dbraw/zinc/31/21/00/969312100.db2.gz JAFRXVHCIYCEFI-WOPDTQHZSA-N 1 0 244.335 1.692 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CO)C1 ZINC001169000994 969326944 /nfs/dbraw/zinc/32/69/44/969326944.db2.gz CCRSPFOHFRJOQO-RHYQMDGZSA-N 1 0 242.319 1.182 20 5 BDBDRO C[C@@H]1C[C@@H](F)C[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007089 969328352 /nfs/dbraw/zinc/32/83/52/969328352.db2.gz KVHUJMKCZUWWNC-DBIOUOCHSA-N 1 0 230.283 1.864 20 5 BDBDRO CO[C@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169006414 969330398 /nfs/dbraw/zinc/33/03/98/969330398.db2.gz HZWFFJUTNIFJHC-VLEAKVRGSA-N 1 0 246.282 1.101 20 5 BDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCO1 ZINC001169009706 969332471 /nfs/dbraw/zinc/33/24/71/969332471.db2.gz XJKOXJIOCXLYCM-GRYCIOLGSA-N 1 0 242.319 1.543 20 5 BDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@H]1O ZINC001169010114 969334536 /nfs/dbraw/zinc/33/45/36/969334536.db2.gz BEQPPWFMCZBFFL-KXNHARMFSA-N 1 0 242.319 1.135 20 5 BDBDRO COC(=O)C[C@@H](C)OCCC[N+](C)(C)C ZINC001224619849 973802402 /nfs/dbraw/zinc/80/24/02/973802402.db2.gz SNGWKJFRIWMXPZ-SNVBAGLBSA-N 1 0 218.317 1.051 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCC(=O)OC(C)(C)C ZINC001224671852 973844682 /nfs/dbraw/zinc/84/46/82/973844682.db2.gz OJJPVAKVVIRAHW-SNVBAGLBSA-N 1 0 232.344 1.439 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCC[C@@H]1CCOC1 ZINC001224702859 973870067 /nfs/dbraw/zinc/87/00/67/973870067.db2.gz IBTBGTAEECUCIY-RYUDHWBXSA-N 1 0 216.345 1.524 20 5 BDBDRO CCOCCOCCO[C@H](C)C[N+](C)(C)C ZINC001225034191 974160372 /nfs/dbraw/zinc/16/03/72/974160372.db2.gz FWKIVIJTTZMXCI-GFCCVEGCSA-N 1 0 234.360 1.151 20 5 BDBDRO O=[N+]([O-])c1cccc(O[C@H]2CC[NH2+]C2)c1Cl ZINC001218175941 971609565 /nfs/dbraw/zinc/60/95/65/971609565.db2.gz DJRRZQSOWAZYOP-ZETCQYMHSA-N 1 0 242.662 1.989 20 5 BDBDRO Nc1ccc(O[C@H]2CCC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001218243406 971650165 /nfs/dbraw/zinc/65/01/65/971650165.db2.gz DMZNBJRGWCVJHP-NSHDSACASA-N 1 0 249.270 1.308 20 5 BDBDRO O=[N+]([O-])c1cccc(O[C@@H]2CCC[NH2+]C2)c1F ZINC001218279833 971672692 /nfs/dbraw/zinc/67/26/92/971672692.db2.gz SRSGMBYWZHMUSJ-MRVPVSSYSA-N 1 0 240.234 1.865 20 5 BDBDRO Cc1cc(O[C@@H]2C[NH2+][C@@H]2C)cc([N+](=O)[O-])c1C ZINC001218385200 971763918 /nfs/dbraw/zinc/76/39/18/971763918.db2.gz GWENLQLNKIRWFK-BXKDBHETSA-N 1 0 236.271 1.951 20 5 BDBDRO Nc1ccc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1[N+](=O)[O-] ZINC001218450460 971822561 /nfs/dbraw/zinc/82/25/61/971822561.db2.gz WIRDDRVOKXSWBZ-XXFPWJFMSA-N 1 0 249.270 1.306 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCc1ccccn1 ZINC001222153745 972397090 /nfs/dbraw/zinc/39/70/90/972397090.db2.gz YXOQEINXOHNVOG-LLVKDONJSA-N 1 0 209.313 1.693 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCc1cnccn1 ZINC001222481031 960655640 /nfs/dbraw/zinc/65/56/40/960655640.db2.gz XKKKSEOILGMTDS-JTQLQIEISA-N 1 0 210.301 1.088 20 5 BDBDRO Cc1cncc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225479982 962192550 /nfs/dbraw/zinc/19/25/50/962192550.db2.gz GPJUKLDJQQQEGI-NSHDSACASA-N 1 0 209.313 1.864 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncccc1[N+](=O)[O-] ZINC001225598554 962372032 /nfs/dbraw/zinc/37/20/32/962372032.db2.gz WBCLGLWSVZRLCJ-VIFPVBQESA-N 1 0 240.283 1.463 20 5 BDBDRO CNc1cc([N+](=O)[O-])cnc1NCC[NH+](C)C ZINC001161666974 963089000 /nfs/dbraw/zinc/08/90/00/963089000.db2.gz VFOBROMHVSAOKC-UHFFFAOYSA-N 1 0 239.279 1.005 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2CC[C@H]2C1 ZINC001158426328 963869321 /nfs/dbraw/zinc/86/93/21/963869321.db2.gz YEJNDHRNXPIMLP-JTQLQIEISA-N 1 0 248.286 1.193 20 5 BDBDRO Cc1cc(O[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001228832848 963896086 /nfs/dbraw/zinc/89/60/86/963896086.db2.gz FDZHQMOJOKFEGP-NSHDSACASA-N 1 0 236.271 1.986 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1-n1ccc(C[NH3+])c1 ZINC001158760267 963917720 /nfs/dbraw/zinc/91/77/20/963917720.db2.gz NOJMQHNYQVIENQ-UHFFFAOYSA-N 1 0 232.243 1.548 20 5 BDBDRO Cc1cnc(N2CC[NH2+]C3(CC3)C2)c([N+](=O)[O-])c1 ZINC001158933009 963960525 /nfs/dbraw/zinc/96/05/25/963960525.db2.gz HTMQPDOYBIXQNJ-UHFFFAOYSA-N 1 0 248.286 1.240 20 5 BDBDRO C[C@@H]([NH3+])CCNc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001159772676 964187713 /nfs/dbraw/zinc/18/77/13/964187713.db2.gz JRMVWBJYFDWMOK-SSDOTTSWSA-N 1 0 249.274 1.620 20 5 BDBDRO CC(C)([NH3+])CNc1cccc([N+](=O)[O-])n1 ZINC001160025492 964237268 /nfs/dbraw/zinc/23/72/68/964237268.db2.gz SYVWDKXGSVNUTB-UHFFFAOYSA-N 1 0 210.237 1.139 20 5 BDBDRO C[NH+](C)CCCCNc1nccnc1[N+](=O)[O-] ZINC001161724274 964716892 /nfs/dbraw/zinc/71/68/92/964716892.db2.gz FHPCSMQJBGMADY-UHFFFAOYSA-N 1 0 239.279 1.139 20 5 BDBDRO Cc1nc(N[C@H]2C[C@@](C)([NH3+])C2)ccc1[N+](=O)[O-] ZINC001162324855 964930393 /nfs/dbraw/zinc/93/03/93/964930393.db2.gz JQKVPSYIRBWUBG-DKTWLAJQSA-N 1 0 236.275 1.590 20 5 BDBDRO C[C@@]1([NH3+])C[C@H](Nc2cc([N+](=O)[O-])ccn2)C1 ZINC001162324666 964930930 /nfs/dbraw/zinc/93/09/30/964930930.db2.gz DYOPHLYSJBCCCU-WKFQBHICSA-N 1 0 222.248 1.282 20 5 BDBDRO C[C@@H](OCC[N+](C)(C)C)c1ccncc1 ZINC001224771169 964934371 /nfs/dbraw/zinc/93/43/71/964934371.db2.gz HQPZZCJVCVZPDV-LLVKDONJSA-N 1 0 209.313 1.865 20 5 BDBDRO Cc1ccc2[nH]cc(CC[NH2+]CC[N+](=O)[O-])c2c1 ZINC001120566488 965345627 /nfs/dbraw/zinc/34/56/27/965345627.db2.gz NRVFJAWKPGLZNK-UHFFFAOYSA-N 1 0 247.298 1.885 20 5 BDBDRO CC(C)N(CCC[NH3+])c1cccnc1[N+](=O)[O-] ZINC001164122727 965746751 /nfs/dbraw/zinc/74/67/51/965746751.db2.gz NIKGFZKANZIIKE-UHFFFAOYSA-N 1 0 238.291 1.553 20 5 BDBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000699765297 966078409 /nfs/dbraw/zinc/07/84/09/966078409.db2.gz YIRRAHXZHFZGDG-VXNVDRBHSA-N 1 0 242.300 1.781 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001165388411 966086288 /nfs/dbraw/zinc/08/62/88/966086288.db2.gz WKDVMIIDWRPTAZ-GHMZBOCLSA-N 1 0 248.286 1.239 20 5 BDBDRO Cc1noc(C)c1CO[C@@H](C)C[N+](C)(C)C ZINC001205730005 967806908 /nfs/dbraw/zinc/80/69/08/967806908.db2.gz ZDCTXRMGUNKXMB-VIFPVBQESA-N 1 0 227.328 1.903 20 5 BDBDRO Cc1cc(C[NH3+])nn1-c1c(C)cccc1[N+](=O)[O-] ZINC001163985023 968151237 /nfs/dbraw/zinc/15/12/37/968151237.db2.gz GSKNJFWFDLPZGW-UHFFFAOYSA-N 1 0 246.270 1.856 20 5 BDBDRO CC[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976032 969295676 /nfs/dbraw/zinc/29/56/76/969295676.db2.gz YKYGXIXWAMYZLR-IVZWLZJFSA-N 1 0 200.282 1.820 20 5 BDBDRO CC(C)(C)[C@H](CO)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977442 969296122 /nfs/dbraw/zinc/29/61/22/969296122.db2.gz JVTGUDATNDLQCS-AXFHLTTASA-N 1 0 244.335 1.428 20 5 BDBDRO C[Si](C)(C)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977340 969296876 /nfs/dbraw/zinc/29/68/76/969296876.db2.gz AOTXQBPGXIMHOR-VHSXEESVSA-N 1 0 230.384 1.899 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCCO2)C1 ZINC001168979005 969297894 /nfs/dbraw/zinc/29/78/94/969297894.db2.gz WDZPDUIJKHVISP-HBNTYKKESA-N 1 0 228.292 1.200 20 5 BDBDRO CC(C)(O)CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984773 969300626 /nfs/dbraw/zinc/30/06/26/969300626.db2.gz QNZWKZNXOQSBTQ-GHMZBOCLSA-N 1 0 244.335 1.573 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC001168957969 969306297 /nfs/dbraw/zinc/30/62/97/969306297.db2.gz KAULWPLZZWZKRO-YUMQZZPRSA-N 1 0 234.246 1.819 20 5 BDBDRO CN1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168956571 969306653 /nfs/dbraw/zinc/30/66/53/969306653.db2.gz BQWDCSCFJAMJOW-CMPLNLGQSA-N 1 0 241.335 1.116 20 5 BDBDRO COC[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168957808 969308240 /nfs/dbraw/zinc/30/82/40/969308240.db2.gz JAVGPWOJYAVEIW-IVZWLZJFSA-N 1 0 216.281 1.056 20 5 BDBDRO [NH3+]CCc1cncn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168960659 969309013 /nfs/dbraw/zinc/30/90/13/969309013.db2.gz GEQNEVFMAWIUTI-UWVGGRQHSA-N 1 0 238.291 1.002 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCN2CCCC2)C1 ZINC001168959671 969309521 /nfs/dbraw/zinc/30/95/21/969309521.db2.gz XVIJBGHUSXBGFO-NWDGAFQWSA-N 1 0 241.335 1.117 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccccn2)C1 ZINC001168958824 969310867 /nfs/dbraw/zinc/31/08/67/969310867.db2.gz QCNYPHMJUWTRAP-WCQYABFASA-N 1 0 249.314 1.659 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(O)CCCC2)C1 ZINC001168961248 969313579 /nfs/dbraw/zinc/31/35/79/969313579.db2.gz IHJIYSGYGNDWDK-WDEREUQCSA-N 1 0 242.319 1.327 20 5 BDBDRO Cc1coc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168965131 969319163 /nfs/dbraw/zinc/31/91/63/969319163.db2.gz YGLYFIPQBWVZLT-ZJUUUORDSA-N 1 0 239.275 1.518 20 5 BDBDRO O=C1SCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968750 969321504 /nfs/dbraw/zinc/32/15/04/969321504.db2.gz AEVCAGPIEYCRMF-YIZRAAEISA-N 1 0 244.316 1.054 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H](F)C2)C1 ZINC001168969289 969321588 /nfs/dbraw/zinc/32/15/88/969321588.db2.gz CVTZFIRIHZQCSZ-KYXWUPHJSA-N 1 0 216.256 1.522 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cnccn2)C1 ZINC001168967673 969322050 /nfs/dbraw/zinc/32/20/50/969322050.db2.gz SIEBEHOAWSROFI-NXEZZACHSA-N 1 0 236.275 1.012 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](O)CC2)C1 ZINC001168972645 969323591 /nfs/dbraw/zinc/32/35/91/969323591.db2.gz ANISGPZRLROULM-NNYUYHANSA-N 1 0 242.319 1.325 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(CO)CCCC2)C1 ZINC001168974914 969325178 /nfs/dbraw/zinc/32/51/78/969325178.db2.gz SVQNLYSWRAUCIQ-MNOVXSKESA-N 1 0 242.319 1.327 20 5 BDBDRO CCCC[C@@H](CO)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169002308 969326648 /nfs/dbraw/zinc/32/66/48/969326648.db2.gz KMNWZJXVKTVYTE-WOPDTQHZSA-N 1 0 244.335 1.573 20 5 BDBDRO CC(C)(O)[C@H](F)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169000983 969327559 /nfs/dbraw/zinc/32/75/59/969327559.db2.gz BXEOKCYXQSLAEU-OPRDCNLKSA-N 1 0 248.298 1.130 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2Cc3cccnc3C2)C1 ZINC001169007726 969332544 /nfs/dbraw/zinc/33/25/44/969332544.db2.gz PUSXYNLPTYRKHN-ZYHUDNBSSA-N 1 0 247.298 1.843 20 5 BDBDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCO1 ZINC001169009708 969334370 /nfs/dbraw/zinc/33/43/70/969334370.db2.gz XJKOXJIOCXLYCM-UTUOFQBUSA-N 1 0 242.319 1.543 20 5 BDBDRO CCOC1C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169013058 969336636 /nfs/dbraw/zinc/33/66/36/969336636.db2.gz TVWXHKOCWPRHPS-UWVGGRQHSA-N 1 0 228.292 1.153 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC3(CC3)C2)C1 ZINC001169011887 969336955 /nfs/dbraw/zinc/33/69/55/969336955.db2.gz NFOAJOPRVCXBRJ-GHMZBOCLSA-N 1 0 224.304 1.918 20 5 BDBDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1O ZINC001169010663 969340076 /nfs/dbraw/zinc/34/00/76/969340076.db2.gz FHRLDSCGKXICSB-WYUUTHIRSA-N 1 0 242.319 1.135 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H](N2C[C@@H](F)C[C@H]2CF)C1 ZINC001169013387 969342102 /nfs/dbraw/zinc/34/21/02/969342102.db2.gz UPSPHZDADJYJNX-NAKRPEOUSA-N 1 0 248.273 1.814 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(F)CCC2)C1 ZINC001168990044 969345771 /nfs/dbraw/zinc/34/57/71/969345771.db2.gz BAGKIWZLXZBTHX-ZJUUUORDSA-N 1 0 230.283 1.914 20 5 BDBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1(C)COC1 ZINC001169034577 969353357 /nfs/dbraw/zinc/35/33/57/969353357.db2.gz HZVYFBVNUDMDEH-NXEZZACHSA-N 1 0 228.292 1.153 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCn3cccc3C2)C1 ZINC001169024347 969363992 /nfs/dbraw/zinc/36/39/92/969363992.db2.gz GMXMGZHUYHMCJO-NWDGAFQWSA-N 1 0 249.314 1.749 20 5 BDBDRO C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001169057476 969371252 /nfs/dbraw/zinc/37/12/52/969371252.db2.gz VVYCKIJGPQZIQC-AXFHLTTASA-N 1 0 228.292 1.153 20 5 BDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH3+])C1 ZINC001254535785 969735418 /nfs/dbraw/zinc/73/54/18/969735418.db2.gz KXTKHOPKAAEVSZ-CMPLNLGQSA-N 1 0 249.314 1.559 20 5 BDBDRO CC(C)(CN)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572191 969739199 /nfs/dbraw/zinc/73/91/99/969739199.db2.gz JLFBOMHGXMQESE-LLVKDONJSA-N 1 0 249.314 1.389 20 5 BDBDRO [NH3+]CC1(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254590689 969746002 /nfs/dbraw/zinc/74/60/02/969746002.db2.gz YSQPHQITPFONHP-LLVKDONJSA-N 1 0 247.298 1.143 20 5 BDBDRO C[C@H](C[NH+](C)C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401142186 970664817 /nfs/dbraw/zinc/66/48/17/970664817.db2.gz ZHOVPKLPVGPYSI-SSDOTTSWSA-N 1 0 242.254 1.491 20 5 BDBDRO COc1ccc(CO[C@H](C)C[N+](C)(C)C)cn1 ZINC001223201503 972873477 /nfs/dbraw/zinc/87/34/77/972873477.db2.gz DWTFDUORTOGXQZ-LLVKDONJSA-N 1 0 239.339 1.702 20 5 BDBDRO Cc1cnc(CO[C@H](C)C[N+](C)(C)C)nc1 ZINC001223203521 972876693 /nfs/dbraw/zinc/87/66/93/972876693.db2.gz GVRRZZPLCYSZGI-LLVKDONJSA-N 1 0 224.328 1.396 20 5 BDBDRO Cc1oc(=O)oc1CO[C@H](C)C[N+](C)(C)C ZINC001223316079 972940712 /nfs/dbraw/zinc/94/07/12/972940712.db2.gz MXNBJSMXIVUGID-MRVPVSSYSA-N 1 0 230.284 1.153 20 5 BDBDRO COc1ccc(CO[C@@H](C)C[N+](C)(C)C)nc1 ZINC001224018384 973410493 /nfs/dbraw/zinc/41/04/93/973410493.db2.gz LZZYXSKKNVVKSC-NSHDSACASA-N 1 0 239.339 1.702 20 5 BDBDRO Cc1nc(C)c(CO[C@@H](C)C[N+](C)(C)C)o1 ZINC001224058987 973431556 /nfs/dbraw/zinc/43/15/56/973431556.db2.gz HWXLKYRQIMTPGO-VIFPVBQESA-N 1 0 227.328 1.903 20 5 BDBDRO C[C@H]1CC[C@@H](COCCC[N+](C)(C)C)O1 ZINC001224620216 973801718 /nfs/dbraw/zinc/80/17/18/973801718.db2.gz VPZGRRDMMHVZBK-RYUDHWBXSA-N 1 0 216.345 1.667 20 5 BDBDRO CCOC(=O)[C@@H](CC)OCC[N+](C)(C)C ZINC001224772680 973937675 /nfs/dbraw/zinc/93/76/75/973937675.db2.gz BNVYYASEDFJSMO-SNVBAGLBSA-N 1 0 218.317 1.051 20 5 BDBDRO Cc1cn2c(n1)[C@@H](OCC[N+](C)(C)C)CCC2 ZINC001224776546 973942930 /nfs/dbraw/zinc/94/29/30/973942930.db2.gz XQJWYOAFLRKXSZ-LBPRGKRZSA-N 1 0 238.355 1.749 20 5 BDBDRO COC(=O)C1(CO[C@@H](C)C[N+](C)(C)C)CC1 ZINC001224981935 974120743 /nfs/dbraw/zinc/12/07/43/974120743.db2.gz SNNGGIBEWPVNSA-JTQLQIEISA-N 1 0 230.328 1.051 20 5 BDBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)cn1 ZINC001225276777 974341655 /nfs/dbraw/zinc/34/16/55/974341655.db2.gz FKYQWMQGOSZHIE-LLVKDONJSA-N 1 0 209.313 1.864 20 5 BDBDRO O=[N+]([O-])c1ncccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001225629596 974605418 /nfs/dbraw/zinc/60/54/18/974605418.db2.gz QHOIPTIVNZMCGG-LLVKDONJSA-N 1 0 249.270 1.463 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1[nH]nc2ncccc21 ZINC001226306177 974851401 /nfs/dbraw/zinc/85/14/01/974851401.db2.gz QHQDOGJVZFWCSU-SECBINFHSA-N 1 0 235.311 1.431 20 5 BDBDRO CCc1cc(O[C@@H](C)C[N+](C)(C)C)nc(C)n1 ZINC001226678796 975021057 /nfs/dbraw/zinc/02/10/57/975021057.db2.gz FBYQEIHFZAONOF-JTQLQIEISA-N 1 0 238.355 1.821 20 5 BDBDRO C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173176068 975053233 /nfs/dbraw/zinc/05/32/33/975053233.db2.gz WUYOJUBPMUFMTM-ZETCQYMHSA-N 1 0 242.250 1.893 20 5 BDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH3+])C1 ZINC001173213192 975076958 /nfs/dbraw/zinc/07/69/58/975076958.db2.gz GDNMKSGFIOORDW-ZYHUDNBSSA-N 1 0 249.314 1.559 20 5 BDBDRO CC1(C)CC[N@H+](CC[N+](=O)[O-])CCS1 ZINC001333044340 975386139 /nfs/dbraw/zinc/38/61/39/975386139.db2.gz HQYOTYIBNPXPLL-UHFFFAOYSA-N 1 0 218.322 1.481 20 5 BDBDRO CC[N@@H+]1CC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227988088 975834930 /nfs/dbraw/zinc/83/49/30/975834930.db2.gz NQEAPIKQZPVFJN-JTQLQIEISA-N 1 0 237.259 1.463 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001334604945 976566620 /nfs/dbraw/zinc/56/66/20/976566620.db2.gz WBRUHXNWCWMOAK-CYBMUJFWSA-N 1 0 234.299 1.828 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](C)C1 ZINC001228915639 976581613 /nfs/dbraw/zinc/58/16/13/976581613.db2.gz IIMKJWHRCZZKEX-LLVKDONJSA-N 1 0 236.271 1.986 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc(C2CC2)nc1 ZINC001230750905 977324728 /nfs/dbraw/zinc/32/47/28/977324728.db2.gz MGJPQUDXPGMWMA-JTQLQIEISA-N 1 0 236.339 1.828 20 5 BDBDRO Cc1nc(Cl)ncc1O[C@@H](C)C[N+](C)(C)C ZINC001231032793 977439080 /nfs/dbraw/zinc/43/90/80/977439080.db2.gz USQHONNOCWXLHR-QMMMGPOBSA-N 1 0 244.746 1.912 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)C(=O)NC2 ZINC001231104005 977481301 /nfs/dbraw/zinc/48/13/01/977481301.db2.gz VAKZTDMKIBVVGG-SNVBAGLBSA-O 1 0 249.334 1.404 20 5 BDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H](C)[NH2+]1 ZINC001337219164 978223507 /nfs/dbraw/zinc/22/35/07/978223507.db2.gz BKHOBMJKBPPJQY-OCAPTIKFSA-N 1 0 241.316 1.843 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001176927328 978249728 /nfs/dbraw/zinc/24/97/28/978249728.db2.gz QWCJKAUPVIVDBR-QWRGUYRKSA-N 1 0 228.292 1.297 20 5 BDBDRO C[C@H](NC(=O)C1([NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC001341107563 979235851 /nfs/dbraw/zinc/23/58/51/979235851.db2.gz GLGYPDZEUZYMDR-QMMMGPOBSA-N 1 0 249.270 1.263 20 5 BDBDRO CCC1(CC)[C@H]([NH2+]CC[N+](=O)[O-])C[C@H]1OC ZINC001341361855 979357129 /nfs/dbraw/zinc/35/71/29/979357129.db2.gz XGVBRULORGQXOZ-NXEZZACHSA-N 1 0 230.308 1.446 20 5 BDBDRO [NH3+]C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001341565006 979470248 /nfs/dbraw/zinc/47/02/48/979470248.db2.gz XVDUMVDHDMRZAQ-CZMCAQCFSA-N 1 0 249.270 1.062 20 5 BDBDRO Cc1cc(NC(=O)[C@@H]2C[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC001346507103 980853889 /nfs/dbraw/zinc/85/38/89/980853889.db2.gz ZRRKOKURIMGFIQ-LDYMZIIASA-N 1 0 249.270 1.437 20 5 BDBDRO CCC[C@]1(COC)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001351413609 982317407 /nfs/dbraw/zinc/31/74/07/982317407.db2.gz HZJBSDWNSJLSPN-LLVKDONJSA-N 1 0 230.308 1.544 20 5 BDBDRO C[N@H+](CCNCC[N+](=O)[O-])C1CCCCC1 ZINC001353272649 982814061 /nfs/dbraw/zinc/81/40/61/982814061.db2.gz KFHQUUKMUXQLSE-UHFFFAOYSA-N 1 0 229.324 1.117 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC001353331495 982839195 /nfs/dbraw/zinc/83/91/95/982839195.db2.gz WZGKEDHHRUUVBO-GHMZBOCLSA-N 1 0 228.292 1.058 20 5 BDBDRO C[C@H](COc1ccccc1F)[NH2+]CC[N+](=O)[O-] ZINC001356101235 983575424 /nfs/dbraw/zinc/57/54/24/983575424.db2.gz SNGWFZIDKBHFGZ-SECBINFHSA-N 1 0 242.250 1.459 20 5 BDBDRO CCCCO[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C1(C)C 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CC(=O)c1ccc(N[C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001575039907 992967919 /nfs/dbraw/zinc/96/79/19/992967919.db2.gz JRWKTLZSVPKXOL-MGCOHNPYSA-N 1 0 249.270 1.699 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC001334203377 994577345 /nfs/dbraw/zinc/57/73/45/994577345.db2.gz XCUAXVYDRIZESX-HBNTYKKESA-N 1 0 240.303 1.200 20 5 BDBDRO C[C@@H](CO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000086631701 398137900 /nfs/dbraw/zinc/13/79/00/398137900.db2.gz RSSOETOHJDVRME-SNVBAGLBSA-N 1 0 238.287 1.355 20 5 BDBDRO CCN(CC[NH3+])C(=O)c1csc([N+](=O)[O-])c1 ZINC000300761930 398160643 /nfs/dbraw/zinc/16/06/43/398160643.db2.gz AWKXMGZGBIGKJT-UHFFFAOYSA-N 1 0 243.288 1.077 20 5 BDBDRO Cc1cc(NC[C@H]([NH3+])C2CC2)ncc1[N+](=O)[O-] ZINC000129294379 178168630 /nfs/dbraw/zinc/16/86/30/178168630.db2.gz LVSNNWNHCKGUNI-VIFPVBQESA-N 1 0 236.275 1.447 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([NH3+])C1 ZINC000346111318 178271142 /nfs/dbraw/zinc/27/11/42/178271142.db2.gz XGJYACCEQDEVSE-GFCCVEGCSA-N 1 0 249.314 1.826 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCC2)cc1 ZINC000134519227 342860861 /nfs/dbraw/zinc/86/08/61/342860861.db2.gz MGXODKZJVXVITF-UHFFFAOYSA-N 1 0 236.271 1.599 20 5 BDBDRO Cc1cn(CCC2CC[NH2+]CC2)nc1[N+](=O)[O-] ZINC000134492378 342858169 /nfs/dbraw/zinc/85/81/69/342858169.db2.gz HKGCUCXKJAJAIX-UHFFFAOYSA-N 1 0 238.291 1.489 20 5 BDBDRO Cc1ccc(CN(C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000357040719 178544760 /nfs/dbraw/zinc/54/47/60/178544760.db2.gz CDGPDZQIPSVOQI-UHFFFAOYSA-N 1 0 235.287 1.307 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(SCC[NH+](C)C)n1 ZINC000178256313 346950395 /nfs/dbraw/zinc/95/03/95/346950395.db2.gz FTEYUOUIYCPFGQ-UHFFFAOYSA-N 1 0 241.316 1.952 20 5 BDBDRO Cc1ccc(C[NH2+]C[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000088195634 178609735 /nfs/dbraw/zinc/60/97/35/178609735.db2.gz JUDLYNMMCJFRCT-SECBINFHSA-N 1 0 238.287 1.621 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CCC[C@@H]32)c1 ZINC000610762461 344151616 /nfs/dbraw/zinc/15/16/16/344151616.db2.gz GLKRWAYKZXWIPK-ONGXEEELSA-N 1 0 236.275 1.276 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCC[NH3+] ZINC000123321353 344321537 /nfs/dbraw/zinc/32/15/37/344321537.db2.gz XZYORFGHSYWLRH-JTQLQIEISA-N 1 0 237.303 1.936 20 5 BDBDRO C[N@@H+]1CCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000221254900 344711904 /nfs/dbraw/zinc/71/19/04/344711904.db2.gz DPWMMDGQVPCLOY-VIFPVBQESA-N 1 0 236.275 1.496 20 5 BDBDRO CC1(C)CN(c2ncc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000226766655 345241630 /nfs/dbraw/zinc/24/16/30/345241630.db2.gz MHQFWZGTYDDAPC-UHFFFAOYSA-N 1 0 242.304 1.240 20 5 BDBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000116950998 345677378 /nfs/dbraw/zinc/67/73/78/345677378.db2.gz PGIMSBPAYDNSHJ-UHFFFAOYSA-N 1 0 223.276 1.593 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[NH2+]CC2)c1 ZINC000094658025 178929333 /nfs/dbraw/zinc/92/93/33/178929333.db2.gz WUGYFCUYGUVTPE-UHFFFAOYSA-N 1 0 235.287 1.703 20 5 BDBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000083662428 537918979 /nfs/dbraw/zinc/91/89/79/537918979.db2.gz DEVSGOWTZGBNKU-VIFPVBQESA-N 1 0 238.287 1.844 20 5 BDBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000145884873 345945184 /nfs/dbraw/zinc/94/51/84/345945184.db2.gz YNWGNARPAAFMFW-LBPRGKRZSA-N 1 0 236.271 1.816 20 5 BDBDRO CC[C@@H]([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000574917385 346410728 /nfs/dbraw/zinc/41/07/28/346410728.db2.gz UZTKXJPCDNHRRC-SECBINFHSA-N 1 0 249.270 1.221 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000401650337 347483706 /nfs/dbraw/zinc/48/37/06/347483706.db2.gz PEEXQRJVKRDTBW-JQWIXIFHSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@H]([NH3+])Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000592170786 347747258 /nfs/dbraw/zinc/74/72/58/347747258.db2.gz OJARLLAPCDZNJN-LURJTMIESA-N 1 0 210.237 1.016 20 5 BDBDRO C[C@H](CCO)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000593109110 347860699 /nfs/dbraw/zinc/86/06/99/347860699.db2.gz IEIJSDMQVABVEZ-SNVBAGLBSA-N 1 0 238.287 1.798 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1C[C@H](O)C1 ZINC000595000340 348168520 /nfs/dbraw/zinc/16/85/20/348168520.db2.gz FMBCUOSSPFMXOZ-GNBMTSKZSA-N 1 0 248.282 1.721 20 5 BDBDRO C[C@@H]([NH2+]C/C=C\CO)c1ccc([N+](=O)[O-])cc1 ZINC000595073146 348188889 /nfs/dbraw/zinc/18/88/89/348188889.db2.gz SKJZGROZCHVMGL-MXQLGCADSA-N 1 0 236.271 1.794 20 5 BDBDRO C[C@H]([NH3+])CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000308863615 348979908 /nfs/dbraw/zinc/97/99/08/348979908.db2.gz QAHIZAHPPPPUMH-YFKPBYRVSA-N 1 0 230.655 1.402 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2COC2)c(F)c1 ZINC000599010698 349075623 /nfs/dbraw/zinc/07/56/23/349075623.db2.gz VQOVOVJCMKAWLI-UHFFFAOYSA-N 1 0 240.234 1.470 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1COC1 ZINC000599080771 349096094 /nfs/dbraw/zinc/09/60/94/349096094.db2.gz KBQOIBHPKBPHIR-GFCCVEGCSA-N 1 0 248.282 1.818 20 5 BDBDRO Cc1nc(NC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000124105713 180019095 /nfs/dbraw/zinc/01/90/95/180019095.db2.gz IJFPGOOWJSXQGM-VIFPVBQESA-N 1 0 236.275 1.462 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH3+])C1 ZINC000050227978 350315698 /nfs/dbraw/zinc/31/56/98/350315698.db2.gz FMUAHKRWAQYRFL-ZJUUUORDSA-N 1 0 235.287 1.689 20 5 BDBDRO Cc1cccc(OC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000051890685 350548992 /nfs/dbraw/zinc/54/89/92/350548992.db2.gz QWBMHYUHWNDHMU-SNVBAGLBSA-N 1 0 236.271 1.892 20 5 BDBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000382408812 350600424 /nfs/dbraw/zinc/60/04/24/350600424.db2.gz CMCFCWJHQHEQJB-BDAKNGLRSA-N 1 0 236.275 1.672 20 5 BDBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251912474 362985686 /nfs/dbraw/zinc/98/56/86/362985686.db2.gz XHLAXJSZCAAUAN-GXFFZTMASA-N 1 0 249.314 1.764 20 5 BDBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000386911859 363060941 /nfs/dbraw/zinc/06/09/41/363060941.db2.gz QCDSLFCLSMTTCH-CABZTGNLSA-N 1 0 238.287 1.844 20 5 BDBDRO C[C@@H](O)[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000386852873 363052851 /nfs/dbraw/zinc/05/28/51/363052851.db2.gz DBYZRLCBJBDSFB-VHSXEESVSA-N 1 0 238.287 1.496 20 5 BDBDRO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000019432975 354896733 /nfs/dbraw/zinc/89/67/33/354896733.db2.gz UJPQDNYYDOQUFZ-JTQLQIEISA-N 1 0 249.270 1.594 20 5 BDBDRO C[NH+](C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413026438 191343850 /nfs/dbraw/zinc/34/38/50/191343850.db2.gz VBHZRYNBZLMTSU-UHFFFAOYSA-N 1 0 228.227 1.102 20 5 BDBDRO NC(=[NH2+])NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172549884 181189573 /nfs/dbraw/zinc/18/95/73/181189573.db2.gz KUCXJTLICDRYNY-UHFFFAOYSA-N 1 0 236.275 1.401 20 5 BDBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(N)=O ZINC000237389167 355877946 /nfs/dbraw/zinc/87/79/46/355877946.db2.gz ILTWANFDHYESHT-OTQAPUNGSA-N 1 0 249.270 1.071 20 5 BDBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)C[NH3+])n1 ZINC000420236660 192181773 /nfs/dbraw/zinc/18/17/73/192181773.db2.gz BAMRMVKVRNRGOD-QMMMGPOBSA-N 1 0 224.264 1.366 20 5 BDBDRO CC[C@@H](NC[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000420391908 192236090 /nfs/dbraw/zinc/23/60/90/192236090.db2.gz BGVKPKOOEVHWFX-JOYOIKCWSA-N 1 0 237.303 1.983 20 5 BDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000037985904 356457500 /nfs/dbraw/zinc/45/75/00/356457500.db2.gz KJNXNPRBJRSBDE-VIFPVBQESA-N 1 0 223.276 1.957 20 5 BDBDRO C[NH2+][C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000346684989 357133952 /nfs/dbraw/zinc/13/39/52/357133952.db2.gz HVIDOQBDEKRRDH-LBPRGKRZSA-N 1 0 249.314 1.697 20 5 BDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCO)c1 ZINC000035368219 357196005 /nfs/dbraw/zinc/19/60/05/357196005.db2.gz CLSNFWROKINMLK-UHFFFAOYSA-N 1 0 244.678 1.720 20 5 BDBDRO C[NH2+]CCCOc1cccc(C)c1[N+](=O)[O-] ZINC000035283756 357973736 /nfs/dbraw/zinc/97/37/36/357973736.db2.gz IMPBVYKTVDCIFV-UHFFFAOYSA-N 1 0 224.260 1.892 20 5 BDBDRO C[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677780 358087771 /nfs/dbraw/zinc/08/77/71/358087771.db2.gz MEGRRXLWOQEYEE-SECBINFHSA-N 1 0 224.260 1.108 20 5 BDBDRO [NH3+]C1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000051693604 181342546 /nfs/dbraw/zinc/34/25/46/181342546.db2.gz GYJHRMMXWORSNJ-UHFFFAOYSA-N 1 0 236.275 1.672 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCOC1 ZINC000037738378 364558951 /nfs/dbraw/zinc/55/89/51/364558951.db2.gz AYIZDKZABOCNKF-JTQLQIEISA-N 1 0 236.271 1.721 20 5 BDBDRO [NH3+]CCCCNc1ccc([N+](=O)[O-])nc1 ZINC000037715005 181377848 /nfs/dbraw/zinc/37/78/48/181377848.db2.gz HVBJQFUGUURVGK-UHFFFAOYSA-N 1 0 210.237 1.141 20 5 BDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000111303850 368854520 /nfs/dbraw/zinc/85/45/20/368854520.db2.gz VOPDDFXJGKMKFF-MRVPVSSYSA-N 1 0 237.259 1.062 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107571291 369352903 /nfs/dbraw/zinc/35/29/03/369352903.db2.gz AWVXSPLIQLVKKT-UWVGGRQHSA-N 1 0 233.271 1.250 20 5 BDBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC000209513271 371062443 /nfs/dbraw/zinc/06/24/43/371062443.db2.gz OSSBPCADZBFSGN-MFKMUULPSA-N 1 0 247.298 1.701 20 5 BDBDRO Cc1ccc(NC(=O)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000019435486 371145909 /nfs/dbraw/zinc/14/59/09/371145909.db2.gz ZYZYDVUJNMDGDN-SSDOTTSWSA-N 1 0 223.232 1.189 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCO)c1 ZINC000020188464 371242056 /nfs/dbraw/zinc/24/20/56/371242056.db2.gz VPVBVIMTAIOJMV-UHFFFAOYSA-N 1 0 210.233 1.067 20 5 BDBDRO [NH3+][C@H](CNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000129211464 181617181 /nfs/dbraw/zinc/61/71/81/181617181.db2.gz LDEFIVLKWVZFRR-SNVBAGLBSA-N 1 0 249.270 1.062 20 5 BDBDRO C[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602427767 371803499 /nfs/dbraw/zinc/80/34/99/371803499.db2.gz APSOCBOQSGCHQU-SECBINFHSA-N 1 0 238.291 1.560 20 5 BDBDRO Cn1cc(C[N@H+](C)CC(C)(C)C)c([N+](=O)[O-])n1 ZINC000602446789 371804842 /nfs/dbraw/zinc/80/48/42/371804842.db2.gz BBKASHSLFFVQCB-UHFFFAOYSA-N 1 0 240.307 1.806 20 5 BDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CC3)nc2c1 ZINC000602501327 371815027 /nfs/dbraw/zinc/81/50/27/371815027.db2.gz FYBJLWIQQFUXTB-UHFFFAOYSA-N 1 0 233.227 1.988 20 5 BDBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602806100 371843125 /nfs/dbraw/zinc/84/31/25/371843125.db2.gz OXROWNZDOJGVRJ-IUCAKERBSA-N 1 0 240.307 1.853 20 5 BDBDRO Cn1cc(C[NH2+]C2(C3CC3)CC2)c([N+](=O)[O-])n1 ZINC000602808000 371842622 /nfs/dbraw/zinc/84/26/22/371842622.db2.gz XVXPJECQHPJHAK-UHFFFAOYSA-N 1 0 236.275 1.361 20 5 BDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000062112599 182372100 /nfs/dbraw/zinc/37/21/00/182372100.db2.gz JIHURXDDWSOQPI-MRVPVSSYSA-N 1 0 235.243 1.143 20 5 BDBDRO O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[NH2+]C1 ZINC000132236737 182948985 /nfs/dbraw/zinc/94/89/85/182948985.db2.gz MSJWAUUZYYZTMZ-NSHDSACASA-N 1 0 249.314 1.684 20 5 BDBDRO C[C@@]1(O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000178015840 384194744 /nfs/dbraw/zinc/19/47/44/384194744.db2.gz RSSCOLPPUFMHMZ-GFCCVEGCSA-N 1 0 236.271 1.552 20 5 BDBDRO CC[N@H+](CCCO)Cc1ccccc1[N+](=O)[O-] ZINC000045914563 384414544 /nfs/dbraw/zinc/41/45/44/384414544.db2.gz HVZJIMKYEWJYCV-UHFFFAOYSA-N 1 0 238.287 1.799 20 5 BDBDRO C[C@H]([NH2+][C@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000179063543 384381438 /nfs/dbraw/zinc/38/14/38/384381438.db2.gz BCXBRRYCZCYUSW-KWQFWETISA-N 1 0 249.270 1.134 20 5 BDBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000123225839 384452949 /nfs/dbraw/zinc/45/29/49/384452949.db2.gz SVCOHLUHENLJET-VHSXEESVSA-N 1 0 238.287 1.701 20 5 BDBDRO CC[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000096478385 384462370 /nfs/dbraw/zinc/46/23/70/384462370.db2.gz QEQQWDXFHPQGKF-LBPRGKRZSA-N 1 0 238.287 1.845 20 5 BDBDRO COC[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472322 384504585 /nfs/dbraw/zinc/50/45/85/384504585.db2.gz KDTVNKAXCMORCJ-SSDOTTSWSA-N 1 0 230.289 1.781 20 5 BDBDRO CC[N@H+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000049937547 384578063 /nfs/dbraw/zinc/57/80/63/384578063.db2.gz IDTDJKNTHLAAHU-UHFFFAOYSA-N 1 0 223.276 1.958 20 5 BDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000050245735 384608019 /nfs/dbraw/zinc/60/80/19/384608019.db2.gz RETLKOGHBQZELS-VIFPVBQESA-N 1 0 249.270 1.016 20 5 BDBDRO Cc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000062112493 385061821 /nfs/dbraw/zinc/06/18/21/385061821.db2.gz RUPPYXFPWLVGDP-SECBINFHSA-N 1 0 249.270 1.451 20 5 BDBDRO O=[N+]([O-])c1ccccc1N[C@H]1CC[NH2+]C1 ZINC000052093697 385659927 /nfs/dbraw/zinc/65/99/27/385659927.db2.gz AYVWGWUVABGHSG-QMMMGPOBSA-N 1 0 207.233 1.369 20 5 BDBDRO [NH3+][C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129205306 385739795 /nfs/dbraw/zinc/73/97/95/385739795.db2.gz JINSCECUYRXTRS-LLVKDONJSA-N 1 0 249.270 1.062 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[NH2+]CC1 ZINC000129211440 385740677 /nfs/dbraw/zinc/74/06/77/385740677.db2.gz CMRPKDBTONPCCT-GFCCVEGCSA-N 1 0 249.314 1.827 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]2)cc1 ZINC000053255001 386557140 /nfs/dbraw/zinc/55/71/40/386557140.db2.gz YHGYXQSAFLUMJG-JTQLQIEISA-N 1 0 221.260 1.759 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]2)nc1 ZINC000053255366 386560653 /nfs/dbraw/zinc/56/06/53/386560653.db2.gz PEJTXTKECKNGST-MRVPVSSYSA-N 1 0 222.248 1.154 20 5 BDBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC000051887085 386561270 /nfs/dbraw/zinc/56/12/70/386561270.db2.gz LTSLBQXPDWBBQV-LLVKDONJSA-N 1 0 236.271 1.409 20 5 BDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000266901234 386623006 /nfs/dbraw/zinc/62/30/06/386623006.db2.gz IHWQFMCAYBAPKU-UHFFFAOYSA-N 1 0 240.307 1.769 20 5 BDBDRO [NH3+]C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000044539814 386723826 /nfs/dbraw/zinc/72/38/26/386723826.db2.gz ZJDZCXHIMROVPP-ZDUSSCGKSA-N 1 0 249.314 1.908 20 5 BDBDRO Cc1c([C@H](C)[NH2+]CCCO)cccc1[N+](=O)[O-] ZINC000268705181 387299143 /nfs/dbraw/zinc/29/91/43/387299143.db2.gz HSPBVEGJGLXWGW-JTQLQIEISA-N 1 0 238.287 1.936 20 5 BDBDRO C[C@@H](C[NH3+])N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000347151243 387515137 /nfs/dbraw/zinc/51/51/37/387515137.db2.gz ZRSLJKGGCPLYCL-VIFPVBQESA-N 1 0 223.276 1.374 20 5 BDBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCC[NH2+]C2)cs1 ZINC000414859240 387565331 /nfs/dbraw/zinc/56/53/31/387565331.db2.gz AREVQZRPSYAGAN-SECBINFHSA-N 1 0 241.316 1.498 20 5 BDBDRO C[C@@H]([NH3+])[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000415015413 387665764 /nfs/dbraw/zinc/66/57/64/387665764.db2.gz YRWRVGDPHUOHKO-RQJHMYQMSA-N 1 0 229.305 1.482 20 5 BDBDRO O=[N+]([O-])c1cccc(CN[C@H]2CCCC[NH2+]C2)c1 ZINC000415066550 387693066 /nfs/dbraw/zinc/69/30/66/387693066.db2.gz JGQRIBWTECHMEU-LBPRGKRZSA-N 1 0 249.314 1.827 20 5 BDBDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000590661434 388128475 /nfs/dbraw/zinc/12/84/75/388128475.db2.gz MZYUUENDDGGTCN-BXKDBHETSA-N 1 0 236.271 1.550 20 5 BDBDRO C[C@H]([NH2+]CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000037177139 388191363 /nfs/dbraw/zinc/19/13/63/388191363.db2.gz RBWDUWKAGHFJAN-VIFPVBQESA-N 1 0 224.260 1.628 20 5 BDBDRO C[C@H](C[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000215555446 256587896 /nfs/dbraw/zinc/58/78/96/256587896.db2.gz BKBBIJPARSLXQY-WQAKUFEDSA-N 1 0 249.270 1.071 20 5 BDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000353025890 388366501 /nfs/dbraw/zinc/36/65/01/388366501.db2.gz JIHGNAXQEJBRMG-UHFFFAOYSA-N 1 0 236.271 1.552 20 5 BDBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000246289567 388442443 /nfs/dbraw/zinc/44/24/43/388442443.db2.gz AHDFZKVXOGPBML-ZJUUUORDSA-N 1 0 238.291 1.522 20 5 BDBDRO C[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766517 388642196 /nfs/dbraw/zinc/64/21/96/388642196.db2.gz XWEQJADSMKZYHX-SFYZADRCSA-N 1 0 237.259 1.119 20 5 BDBDRO CC(C)[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000092392203 388733966 /nfs/dbraw/zinc/73/39/66/388733966.db2.gz BCBSQVUZXYESPG-LLVKDONJSA-N 1 0 238.287 1.701 20 5 BDBDRO CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447513415 388737227 /nfs/dbraw/zinc/73/72/27/388737227.db2.gz VZBVYJDMOMLOJB-UWVGGRQHSA-N 1 0 238.291 1.885 20 5 BDBDRO NCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423176733 388688283 /nfs/dbraw/zinc/68/82/83/388688283.db2.gz CWNMMNRFONIYNE-GFCCVEGCSA-N 1 0 249.314 1.464 20 5 BDBDRO C[C@@H](NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423185246 388688812 /nfs/dbraw/zinc/68/88/12/388688812.db2.gz NEBPCDMUWXDCHZ-SNVBAGLBSA-N 1 0 249.314 1.997 20 5 BDBDRO C[C@H](N[C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423269810 388689399 /nfs/dbraw/zinc/68/93/99/388689399.db2.gz FXAXFELLMRNYKA-TVQRCGJNSA-N 1 0 249.314 1.983 20 5 BDBDRO Cc1c([C@@H](C)NCC2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423301598 388691047 /nfs/dbraw/zinc/69/10/47/388691047.db2.gz HXWHDTZAIJATGP-SNVBAGLBSA-N 1 0 249.314 1.773 20 5 BDBDRO CC[C@H](N[C@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423319279 388691196 /nfs/dbraw/zinc/69/11/96/388691196.db2.gz DYXDMJBXWCLASM-SKDRFNHKSA-N 1 0 237.303 1.983 20 5 BDBDRO Cc1c([C@H](C)N[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000423368579 388691535 /nfs/dbraw/zinc/69/15/35/388691535.db2.gz NIXKNRQGUSSSEM-WPRPVWTQSA-N 1 0 237.303 1.901 20 5 BDBDRO C[C@H]([NH3+])CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000430384016 388727780 /nfs/dbraw/zinc/72/77/80/388727780.db2.gz JUHZBIVDQSMTFS-QMMMGPOBSA-N 1 0 249.270 1.221 20 5 BDBDRO CN(CC[NH+](C)C)c1sccc1[N+](=O)[O-] ZINC000302043524 388837934 /nfs/dbraw/zinc/83/79/34/388837934.db2.gz XFJHMYLBSCUDIM-UHFFFAOYSA-N 1 0 229.305 1.654 20 5 BDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000090538648 388856434 /nfs/dbraw/zinc/85/64/34/388856434.db2.gz KMRNFTXDVTWNPT-MRVPVSSYSA-N 1 0 224.264 1.179 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH2+][C@@H](C)C1 ZINC000122804351 132227828 /nfs/dbraw/zinc/22/78/28/132227828.db2.gz FULVWBBIIAOWKT-JTQLQIEISA-N 1 0 235.287 1.701 20 5 BDBDRO Cc1ccnc(N2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000070495721 132231192 /nfs/dbraw/zinc/23/11/92/132231192.db2.gz MYWYWSWIRZJEMK-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH2+]CC1 ZINC000036226497 132318673 /nfs/dbraw/zinc/31/86/73/132318673.db2.gz IUMIFSPGRIWQRC-UHFFFAOYSA-N 1 0 242.666 1.053 20 5 BDBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000168672653 134241022 /nfs/dbraw/zinc/24/10/22/134241022.db2.gz ROGMHRVLXSNZPA-PWSUYJOCSA-N 1 0 249.314 1.764 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N(C)C2C[NH2+]C2)c1 ZINC000087151095 135107899 /nfs/dbraw/zinc/10/78/99/135107899.db2.gz XRENDVRIGKENLK-UHFFFAOYSA-N 1 0 221.260 1.311 20 5 BDBDRO Cc1cc(N2CC[NH2+]C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000261538177 135175362 /nfs/dbraw/zinc/17/53/62/135175362.db2.gz NOJXRTUWDPWANP-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO Cc1cc(N[C@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000261540378 135179541 /nfs/dbraw/zinc/17/95/41/135179541.db2.gz ABDRTHIAOINDAK-QMMMGPOBSA-N 1 0 239.250 1.816 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261542105 135182726 /nfs/dbraw/zinc/18/27/26/135182726.db2.gz BTYVUDSKYSDLIK-WCBMZHEXSA-N 1 0 236.275 1.224 20 5 BDBDRO Cc1ccnc(N2C[C@H](C)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000261543514 135184842 /nfs/dbraw/zinc/18/48/42/135184842.db2.gz TXHXPVNMEJDESX-DTWKUNHWSA-N 1 0 236.275 1.082 20 5 BDBDRO Cc1cnc(N2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000261560442 135201301 /nfs/dbraw/zinc/20/13/01/135201301.db2.gz UPPROPXKGSKVOT-IUCAKERBSA-N 1 0 236.275 1.224 20 5 BDBDRO C[C@@H]([NH3+])CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000261577364 135218810 /nfs/dbraw/zinc/21/88/10/135218810.db2.gz LCJTUZQWDVNWDM-SECBINFHSA-N 1 0 223.276 1.374 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261586782 135227827 /nfs/dbraw/zinc/22/78/27/135227827.db2.gz UOQDJNDMGYVPTH-LBPRGKRZSA-N 1 0 248.286 1.180 20 5 BDBDRO O=[N+]([O-])c1cccc(CCNC2=[NH+]CCCN2)c1 ZINC000261904465 135262055 /nfs/dbraw/zinc/26/20/55/135262055.db2.gz WQZLKFVQIVDQRL-UHFFFAOYSA-N 1 0 248.286 1.076 20 5 BDBDRO O=[N+]([O-])c1cccc(CN[C@@H]2CC[NH2+]C2)c1 ZINC000086729806 135495886 /nfs/dbraw/zinc/49/58/86/135495886.db2.gz MRHTVLFNQBNWKW-SNVBAGLBSA-N 1 0 221.260 1.046 20 5 BDBDRO CC[C@@H]1CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348389713 136075907 /nfs/dbraw/zinc/07/59/07/136075907.db2.gz HGPZVZDYNYVGDQ-MWLCHTKSSA-N 1 0 238.291 1.570 20 5 BDBDRO C[C@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414942974 398026652 /nfs/dbraw/zinc/02/66/52/398026652.db2.gz DXNGHJCZXJPONU-JQWIXIFHSA-N 1 0 249.314 1.825 20 5 BDBDRO CC[C@@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000096478705 171184709 /nfs/dbraw/zinc/18/47/09/171184709.db2.gz NGOVTGGLYJNXFC-GFCCVEGCSA-N 1 0 238.287 1.845 20 5 BDBDRO C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000264007465 172528024 /nfs/dbraw/zinc/52/80/24/172528024.db2.gz KDSRTHOWLSUIQU-SNVBAGLBSA-N 1 0 236.275 1.130 20 5 BDBDRO CN(c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000070896622 172951420 /nfs/dbraw/zinc/95/14/20/172951420.db2.gz LZVMQMVCLZUROE-VIFPVBQESA-N 1 0 221.260 1.393 20 5 BDBDRO C[N@@H+]1CCCC[C@@H]1CCn1cnc([N+](=O)[O-])c1 ZINC000283793066 173005152 /nfs/dbraw/zinc/00/51/52/173005152.db2.gz GAGXRUKYXVFLFN-SNVBAGLBSA-N 1 0 238.291 1.666 20 5 BDBDRO C[N@@H+]1CC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000037647725 173116687 /nfs/dbraw/zinc/11/66/87/173116687.db2.gz ROGIRVSPWKTEPS-VIFPVBQESA-N 1 0 236.275 1.353 20 5 BDBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000037647768 173146479 /nfs/dbraw/zinc/14/64/79/173146479.db2.gz ZWALXXLLWDCECF-SECBINFHSA-N 1 0 236.275 1.353 20 5 BDBDRO C[N@@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000042375198 173156674 /nfs/dbraw/zinc/15/66/74/173156674.db2.gz QODMPSNCFDSKJO-QMMMGPOBSA-N 1 0 222.248 1.106 20 5 BDBDRO C[NH2+]CCN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070303364 173353984 /nfs/dbraw/zinc/35/39/84/173353984.db2.gz KXQULHCCCPMWBE-SNVBAGLBSA-N 1 0 237.303 1.807 20 5 BDBDRO C[NH2+]C[C@@H](C)CNc1nccc(C)c1[N+](=O)[O-] ZINC000129549216 173364281 /nfs/dbraw/zinc/36/42/81/173364281.db2.gz QNXVWJWLEQAJIZ-MRVPVSSYSA-N 1 0 238.291 1.566 20 5 BDBDRO C[NH2+]C[C@@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000094663309 173370947 /nfs/dbraw/zinc/37/09/47/173370947.db2.gz DDQBNOFKNAKICQ-NSHDSACASA-N 1 0 249.314 1.949 20 5 BDBDRO C[NH2+][C@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000123242265 173465849 /nfs/dbraw/zinc/46/58/49/173465849.db2.gz DQCYAQLXYSABQO-JQWIXIFHSA-N 1 0 249.314 1.950 20 5 BDBDRO COCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020142835 174248469 /nfs/dbraw/zinc/24/84/69/174248469.db2.gz VQZPYOLGOJZGSN-UHFFFAOYSA-N 1 0 224.260 1.721 20 5 BDBDRO COCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774484 174280951 /nfs/dbraw/zinc/28/09/51/174280951.db2.gz JLWLUQPXNNSYAQ-UHFFFAOYSA-N 1 0 242.250 1.812 20 5 BDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)O ZINC000035115127 175201276 /nfs/dbraw/zinc/20/12/76/175201276.db2.gz QYMCULBNYJBZLO-QMMMGPOBSA-N 1 0 240.259 1.074 20 5 BDBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1 ZINC000130616333 175700177 /nfs/dbraw/zinc/70/01/77/175700177.db2.gz MDMOWVBUHAMVGB-VIFPVBQESA-N 1 0 223.276 1.957 20 5 BDBDRO C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176189277 176099080 /nfs/dbraw/zinc/09/90/80/176099080.db2.gz UQKMZKCCQUJFPL-SNVBAGLBSA-N 1 0 238.291 1.523 20 5 BDBDRO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235369116 176263006 /nfs/dbraw/zinc/26/30/06/176263006.db2.gz GJJYLXOPCDIWDV-SCZZXKLOSA-N 1 0 249.270 1.014 20 5 BDBDRO C[C@@H]1C[N@H+](C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000353603118 176267511 /nfs/dbraw/zinc/26/75/11/176267511.db2.gz FVQJOGPLCPHRER-LLVKDONJSA-N 1 0 249.314 1.731 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000037981866 177037549 /nfs/dbraw/zinc/03/75/49/177037549.db2.gz SMFYDABDFPMSLW-SNVBAGLBSA-N 1 0 235.287 1.561 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000266547842 177042820 /nfs/dbraw/zinc/04/28/20/177042820.db2.gz SIDSGPUHGLAOAT-LLVKDONJSA-N 1 0 249.314 1.903 20 5 BDBDRO C[C@H]1CCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000282111903 177142137 /nfs/dbraw/zinc/14/21/37/177142137.db2.gz PZVRSCXTFGYPCO-VHSXEESVSA-N 1 0 238.291 1.570 20 5 BDBDRO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358014213 177236094 /nfs/dbraw/zinc/23/60/94/177236094.db2.gz KFIQJDUNZNBFRE-GWCFXTLKSA-N 1 0 249.314 1.635 20 5 BDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094339052 177263079 /nfs/dbraw/zinc/26/30/79/177263079.db2.gz YQRRVZXYYMYYEC-GWCFXTLKSA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1ncccc1[N+](=O)[O-] ZINC000216226380 177325036 /nfs/dbraw/zinc/32/50/36/177325036.db2.gz MTWNDNXACVXXLT-IUCAKERBSA-N 1 0 236.275 1.163 20 5 BDBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000229606772 177396844 /nfs/dbraw/zinc/39/68/44/177396844.db2.gz PMWFBSOALMWDCU-RKDXNWHRSA-N 1 0 236.275 1.542 20 5 BDBDRO C[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000400478540 226344489 /nfs/dbraw/zinc/34/44/89/226344489.db2.gz DYMYFMFANWPCEF-JQWIXIFHSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@@H]1C[C@@H](C)[NH+]1CCn1ccc([N+](=O)[O-])n1 ZINC000548097562 325429460 /nfs/dbraw/zinc/42/94/60/325429460.db2.gz PWDQDCHGIKWRTG-RKDXNWHRSA-N 1 0 224.264 1.274 20 5 BDBDRO C[NH2+][C@@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000261531919 536345233 /nfs/dbraw/zinc/34/52/33/536345233.db2.gz IJYBHIPWTDVNFF-ZETCQYMHSA-N 1 0 210.237 1.010 20 5 BDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ccccc2[N+](=O)[O-])C1 ZINC000893941706 583254695 /nfs/dbraw/zinc/25/46/95/583254695.db2.gz VORIBYADGCBUAV-GWCFXTLKSA-N 1 0 247.298 1.735 20 5 BDBDRO C[N@@H+]1CC[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000895771213 583724786 /nfs/dbraw/zinc/72/47/86/583724786.db2.gz VILDCQAYMDFVTR-SECBINFHSA-N 1 0 236.275 1.293 20 5 BDBDRO CN(C)[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000899859471 584242495 /nfs/dbraw/zinc/24/24/95/584242495.db2.gz KFSQKCWOWRUYMC-LBPRGKRZSA-N 1 0 237.303 1.156 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000899859382 584242777 /nfs/dbraw/zinc/24/27/77/584242777.db2.gz JDCVBYBEDYSJBH-ZDUSSCGKSA-N 1 0 249.314 1.127 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCC1CCCC1 ZINC000899865483 584245439 /nfs/dbraw/zinc/24/54/39/584245439.db2.gz IJSLVSFLFIVYBA-UHFFFAOYSA-N 1 0 200.282 1.823 20 5 BDBDRO CC1(C)C[NH2+]C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000903823383 584804605 /nfs/dbraw/zinc/80/46/05/584804605.db2.gz FYXVSZLPOBCELC-GFCCVEGCSA-N 1 0 249.314 1.682 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CC2)cc1 ZINC000734163234 584959235 /nfs/dbraw/zinc/95/92/35/584959235.db2.gz DAYPCAIONPXRHH-GFCCVEGCSA-N 1 0 236.271 1.455 20 5 BDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000886313059 585121771 /nfs/dbraw/zinc/12/17/71/585121771.db2.gz RJHODTDYTPVKPB-PHIMTYICSA-N 1 0 249.270 1.068 20 5 BDBDRO CC(C)(C)CC[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000791054209 585973022 /nfs/dbraw/zinc/97/30/22/585973022.db2.gz YRBZIIBENRWHDF-UHFFFAOYSA-N 1 0 243.351 1.317 20 5 BDBDRO [NH3+]CCc1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000843128866 586417790 /nfs/dbraw/zinc/41/77/90/586417790.db2.gz LZAWFTRNGSFMEG-UHFFFAOYSA-N 1 0 248.242 1.070 20 5 BDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CC2)c1 ZINC000818947789 586916741 /nfs/dbraw/zinc/91/67/41/586916741.db2.gz KEZRFGGDLBVBNW-GFCCVEGCSA-N 1 0 236.271 1.628 20 5 BDBDRO O=[N+]([O-])c1c(Cl)cccc1OCC1C[NH2+]C1 ZINC000830409375 587550416 /nfs/dbraw/zinc/55/04/16/587550416.db2.gz NRFXQBQGTJOYIG-UHFFFAOYSA-N 1 0 242.662 1.846 20 5 BDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CC[NH3+])CC2 ZINC000843494094 588115511 /nfs/dbraw/zinc/11/55/11/588115511.db2.gz GZWKYTJRRCYJPY-UHFFFAOYSA-N 1 0 249.270 1.141 20 5 BDBDRO CC[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000119485957 589294838 /nfs/dbraw/zinc/29/48/38/589294838.db2.gz PVXIFBOHPYQFNR-SECBINFHSA-N 1 0 224.264 1.481 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)CO ZINC000873020282 589979846 /nfs/dbraw/zinc/97/98/46/589979846.db2.gz MMEVFDVDQTWPJS-SECBINFHSA-N 1 0 238.287 1.682 20 5 BDBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1ccccc1[N+](=O)[O-] ZINC000126101621 590230741 /nfs/dbraw/zinc/23/07/41/590230741.db2.gz XJSSFBABKUAJMX-NXEZZACHSA-N 1 0 235.287 1.768 20 5 BDBDRO Cc1ccnc(NC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000133789125 591856906 /nfs/dbraw/zinc/85/69/06/591856906.db2.gz DGGLGRKNWXWREI-VIFPVBQESA-N 1 0 236.275 1.320 20 5 BDBDRO CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000110513451 592707870 /nfs/dbraw/zinc/70/78/70/592707870.db2.gz QYNAIQJCOCDMPJ-CYBMUJFWSA-N 1 0 249.314 1.779 20 5 BDBDRO C[C@H]1SCC[N@H+](CC[N+](=O)[O-])[C@H]1C ZINC000306333061 636818706 /nfs/dbraw/zinc/81/87/06/636818706.db2.gz DSOPXRXUMFGEIN-JGVFFNPUSA-N 1 0 204.295 1.089 20 5 BDBDRO CCOc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905045969 637564141 /nfs/dbraw/zinc/56/41/41/637564141.db2.gz OBXLXZBJHIGZKE-UHFFFAOYSA-N 1 0 224.260 1.452 20 5 BDBDRO Cc1cccc(CC[NH2+]CC[N+](=O)[O-])c1 ZINC000905084165 637582159 /nfs/dbraw/zinc/58/21/59/637582159.db2.gz XNCOLNOTGCMJIL-UHFFFAOYSA-N 1 0 208.261 1.404 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000905093663 637631127 /nfs/dbraw/zinc/63/11/27/637631127.db2.gz AFAFTOURMQZXKP-LLVKDONJSA-N 1 0 224.235 1.679 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000905124366 637632302 /nfs/dbraw/zinc/63/23/02/637632302.db2.gz RQLATYUUGIIZQY-LLVKDONJSA-N 1 0 234.299 1.658 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC000905095764 637634484 /nfs/dbraw/zinc/63/44/84/637634484.db2.gz FWTYOOCROYHGGA-UHFFFAOYSA-N 1 0 240.278 1.970 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000905160316 637641193 /nfs/dbraw/zinc/64/11/93/637641193.db2.gz RJHPGALGTAXETE-JTQLQIEISA-N 1 0 230.308 1.448 20 5 BDBDRO Cc1ccc(C[C@@H](C)[NH2+]CC[N+](=O)[O-])s1 ZINC000905133287 637643952 /nfs/dbraw/zinc/64/39/52/637643952.db2.gz JKTLUDIFIKQIPP-MRVPVSSYSA-N 1 0 228.317 1.854 20 5 BDBDRO C[C@@H]1CC([NH2+]CC[N+](=O)[O-])C[C@@H](C)C1 ZINC000905138714 637649285 /nfs/dbraw/zinc/64/92/85/637649285.db2.gz VPUMBFBPFZEZKU-IUCAKERBSA-N 1 0 200.282 1.677 20 5 BDBDRO Cc1ccc(O[C@@H](C)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905140554 637649947 /nfs/dbraw/zinc/64/99/47/637649947.db2.gz WMULRUXRIFGYRN-NSHDSACASA-N 1 0 238.287 1.629 20 5 BDBDRO COC[C@@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905144080 637650600 /nfs/dbraw/zinc/65/06/00/637650600.db2.gz DHSHNOVLWGJELX-GFCCVEGCSA-N 1 0 238.287 1.110 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCOc1ccccc1Cl ZINC000905178694 637662014 /nfs/dbraw/zinc/66/20/14/637662014.db2.gz CBMVYAUPYWZQTR-UHFFFAOYSA-N 1 0 244.678 1.585 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000905189314 637668572 /nfs/dbraw/zinc/66/85/72/637668572.db2.gz HVDTUYJARIMQPX-IWSPIJDZSA-N 1 0 248.373 1.232 20 5 BDBDRO Cc1ccsc1CC[NH2+]CC[N+](=O)[O-] ZINC000905196691 637674418 /nfs/dbraw/zinc/67/44/18/637674418.db2.gz RTKCTLXKFSACHP-UHFFFAOYSA-N 1 0 214.290 1.465 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000905229863 637690414 /nfs/dbraw/zinc/69/04/14/637690414.db2.gz KRWIISKHJGMUTM-LLVKDONJSA-N 1 0 242.319 1.735 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(F)c(F)c1 ZINC000905230343 637690577 /nfs/dbraw/zinc/69/05/77/637690577.db2.gz PKVYLXXAPPRQQQ-UHFFFAOYSA-N 1 0 230.214 1.374 20 5 BDBDRO CC(C)(C)OC1CC(CC[NH2+]CC[N+](=O)[O-])C1 ZINC000905232343 637691336 /nfs/dbraw/zinc/69/13/36/637691336.db2.gz NSDFUBAWSCIGNL-UHFFFAOYSA-N 1 0 244.335 1.837 20 5 BDBDRO C[C@@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])CC1 ZINC000905231961 637692214 /nfs/dbraw/zinc/69/22/14/637692214.db2.gz VIVCVTRRJQIFOB-NXEZZACHSA-N 1 0 200.282 1.822 20 5 BDBDRO CC(C)[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccnn1C ZINC000905231987 637692390 /nfs/dbraw/zinc/69/23/90/637692390.db2.gz VLHZLOABOYCYPA-SNVBAGLBSA-N 1 0 240.307 1.026 20 5 BDBDRO CS[C@H](C[NH2+]CC[N+](=O)[O-])C(C)(C)C ZINC000905205978 637696010 /nfs/dbraw/zinc/69/60/10/637696010.db2.gz WWNJYSFYCMUYHJ-MRVPVSSYSA-N 1 0 220.338 1.630 20 5 BDBDRO C[C@@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])C[C@@H]1C ZINC000905211159 637697717 /nfs/dbraw/zinc/69/77/17/637697717.db2.gz YKPUDUIEEQNANH-UTLUCORTSA-N 1 0 200.282 1.677 20 5 BDBDRO COCC1(CC[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905268198 637715837 /nfs/dbraw/zinc/71/58/37/637715837.db2.gz OXIZBIAIVLDMTA-UHFFFAOYSA-N 1 0 216.281 1.060 20 5 BDBDRO CC(C)=CCC[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905273802 637731913 /nfs/dbraw/zinc/73/19/13/637731913.db2.gz NNMWAACWZWQPNM-SNVBAGLBSA-N 1 0 200.282 1.988 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H](CO)C1CCCCC1 ZINC000905356247 637775298 /nfs/dbraw/zinc/77/52/98/637775298.db2.gz FYWPHKQARKGLBD-LLVKDONJSA-N 1 0 230.308 1.042 20 5 BDBDRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]CC[N+](=O)[O-] ZINC000905368038 637789926 /nfs/dbraw/zinc/78/99/26/637789926.db2.gz XWMXGWFMNZZFMQ-IUCAKERBSA-N 1 0 244.316 1.426 20 5 BDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000905415905 637803010 /nfs/dbraw/zinc/80/30/10/637803010.db2.gz TZJOMKUQJRSVHB-NEPJUHHUSA-N 1 0 238.287 1.365 20 5 BDBDRO CC1(C)CCC[C@H](C[NH2+]CC[N+](=O)[O-])O1 ZINC000905683709 637889525 /nfs/dbraw/zinc/88/95/25/637889525.db2.gz QYLAKKLSGRFMCD-SECBINFHSA-N 1 0 216.281 1.200 20 5 BDBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC[N+](=O)[O-] ZINC000930248351 639655611 /nfs/dbraw/zinc/65/56/11/639655611.db2.gz IMHNZIGRIUYBOK-ZETCQYMHSA-N 1 0 228.214 1.830 20 5 BDBDRO CCO[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C12CCCC2 ZINC000930435309 639752778 /nfs/dbraw/zinc/75/27/78/639752778.db2.gz LDKDWJVOEQNNNU-MNOVXSKESA-N 1 0 242.319 1.591 20 5 BDBDRO CCCN(CC[N+](=O)[O-])CC[NH+]1CCCCC1 ZINC000930461707 639765845 /nfs/dbraw/zinc/76/58/45/639765845.db2.gz ZFRSOJGYWFVTHA-UHFFFAOYSA-N 1 0 243.351 1.461 20 5 BDBDRO Cc1c(C[NH2+][C@H](C)CO)cccc1[N+](=O)[O-] ZINC000035648943 639797908 /nfs/dbraw/zinc/79/79/08/639797908.db2.gz BJFJDQHJLPPCRQ-MRVPVSSYSA-N 1 0 224.260 1.374 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000930813615 639916736 /nfs/dbraw/zinc/91/67/36/639916736.db2.gz AQVUHWIJWKLAOJ-NSHDSACASA-N 1 0 221.260 1.148 20 5 BDBDRO CC(C)O[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930850837 639944206 /nfs/dbraw/zinc/94/42/06/639944206.db2.gz WOSRYXROGILKOR-SNVBAGLBSA-N 1 0 216.281 1.153 20 5 BDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])C1CCC(F)CC1 ZINC000931057486 640045168 /nfs/dbraw/zinc/04/51/68/640045168.db2.gz OLYLXTVPCIJIAE-XNWIYYODSA-N 1 0 218.272 1.770 20 5 BDBDRO C/C=C/C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931339152 640164353 /nfs/dbraw/zinc/16/43/53/640164353.db2.gz VXLGDTCQLAPIHV-KXMPLOMGSA-N 1 0 212.293 1.941 20 5 BDBDRO C[C@H]1CCC[C@H](C)[N@H+](CC[N+](=O)[O-])C1 ZINC000929706255 641410170 /nfs/dbraw/zinc/41/01/70/641410170.db2.gz ZYJGZNVVWUZCKO-UWVGGRQHSA-N 1 0 200.282 1.774 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000929617824 646199743 /nfs/dbraw/zinc/19/97/43/646199743.db2.gz KXTFIRJEZMFWHS-SECBINFHSA-N 1 0 210.233 1.346 20 5 BDBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CC[N+](=O)[O-])C1 ZINC000929749391 646280822 /nfs/dbraw/zinc/28/08/22/646280822.db2.gz KNQFJTJPOICINE-ZJUUUORDSA-N 1 0 232.349 1.869 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000930180844 646482017 /nfs/dbraw/zinc/48/20/17/646482017.db2.gz XWQDZKAAZSFACC-RYUDHWBXSA-N 1 0 242.319 1.402 20 5 BDBDRO C[N@@H+]1CC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000712593774 712435649 /nfs/dbraw/zinc/43/56/49/712435649.db2.gz ILLIOGFLRRPZDH-MRVPVSSYSA-N 1 0 222.248 1.106 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC23CC(O)C3)cc1 ZINC000724931365 711630454 /nfs/dbraw/zinc/63/04/54/711630454.db2.gz NGJKQUBZSNLMFC-CPCZMJQVSA-N 1 0 248.282 1.598 20 5 BDBDRO Cc1c(C[NH2+][C@@H]2CC[C@H]2O)cccc1[N+](=O)[O-] ZINC000704036425 712099244 /nfs/dbraw/zinc/09/92/44/712099244.db2.gz CLMPSYXDFHDRLQ-ZYHUDNBSSA-N 1 0 236.271 1.516 20 5 BDBDRO C[C@H]([NH2+]C[C@H]1CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000712532944 712442190 /nfs/dbraw/zinc/44/21/90/712442190.db2.gz YLAFRACREBGCEI-GXFFZTMASA-N 1 0 249.314 1.950 20 5 BDBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000719575545 712811719 /nfs/dbraw/zinc/81/17/19/712811719.db2.gz PSFAYFBVOYILHU-WCBMZHEXSA-N 1 0 236.275 1.494 20 5 BDBDRO Cc1cc(Cl)nc(N(C)CC[NH3+])c1[N+](=O)[O-] ZINC001163687330 965507321 /nfs/dbraw/zinc/50/73/21/965507321.db2.gz VVNFNFGPHCEFME-UHFFFAOYSA-N 1 0 244.682 1.347 20 5 BDBDRO [NH3+][C@@H]1CCN(c2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001164281731 965825216 /nfs/dbraw/zinc/82/52/16/965825216.db2.gz LPAIFMABZUANMU-ZCFIWIBFSA-N 1 0 242.666 1.181 20 5 BDBDRO CCC[C@@H](CO)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976495 969294397 /nfs/dbraw/zinc/29/43/97/969294397.db2.gz DEJGCYDPCSGEKY-DCAQKATOSA-N 1 0 230.308 1.182 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCCOC2)C1 ZINC001168976720 969295359 /nfs/dbraw/zinc/29/53/59/969295359.db2.gz FSOZWMLXIPHMDE-AXFHLTTASA-N 1 0 228.292 1.200 20 5 BDBDRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168961715 969313134 /nfs/dbraw/zinc/31/31/34/969313134.db2.gz JXMHDHTUOFMHTA-VPOLOUISSA-N 1 0 212.293 1.677 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(CO)CCCC2)C1 ZINC001168974916 969322919 /nfs/dbraw/zinc/32/29/19/969322919.db2.gz SVQNLYSWRAUCIQ-WDEREUQCSA-N 1 0 242.319 1.327 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC23CCC3)C1 ZINC001169000636 969325804 /nfs/dbraw/zinc/32/58/04/969325804.db2.gz YIBDVBIUDLPNKT-GMTAPVOTSA-N 1 0 224.304 1.964 20 5 BDBDRO CC(C)(O)[C@H](F)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169000982 969326452 /nfs/dbraw/zinc/32/64/52/969326452.db2.gz BXEOKCYXQSLAEU-LPEHRKFASA-N 1 0 248.298 1.130 20 5 BDBDRO C[N@H+](CC1CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005738 969331350 /nfs/dbraw/zinc/33/13/50/969331350.db2.gz CNCXFLBGNAVSSJ-MNOVXSKESA-N 1 0 212.293 1.774 20 5 BDBDRO CC[N@H+](C1CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005748 969331683 /nfs/dbraw/zinc/33/16/83/969331683.db2.gz CRFXQDVSBLBLRC-GXSJLCMTSA-N 1 0 212.293 1.916 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H]2C3)C1 ZINC001169036135 969356510 /nfs/dbraw/zinc/35/65/10/969356510.db2.gz NDNCZZGPHCOAGN-YFKTTZPYSA-N 1 0 224.304 1.916 20 5 BDBDRO Cc1ncnc(O[C@@H](C)C[N+](C)(C)C)c1Cl ZINC001230021324 977081105 /nfs/dbraw/zinc/08/11/05/977081105.db2.gz 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JSMMSVHNONGION-UHFFFAOYSA-N 1 0 231.211 1.861 20 5 BDBDRO C[C@H]1CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000309784558 959695376 /nfs/dbraw/zinc/69/53/76/959695376.db2.gz NRFXADZKMBKWIB-WCBMZHEXSA-N 1 0 224.264 1.179 20 5 BDBDRO O=[N+]([O-])c1ncccc1O[C@H]1CCC[NH2+]C1 ZINC001218279473 959936738 /nfs/dbraw/zinc/93/67/38/959936738.db2.gz REKUGPVDMZHBIC-QMMMGPOBSA-N 1 0 223.232 1.121 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ncccc1[N+](=O)[O-] ZINC001225598550 962371479 /nfs/dbraw/zinc/37/14/79/962371479.db2.gz WBCLGLWSVZRLCJ-SECBINFHSA-N 1 0 240.283 1.463 20 5 BDBDRO O=[N+]([O-])c1cccnc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711667466 962748623 /nfs/dbraw/zinc/74/86/23/962748623.db2.gz TUFBNMKYIYFQMO-CMPLNLGQSA-N 1 0 248.286 1.686 20 5 BDBDRO [NH3+][C@H]1CCC[C@@H](Nc2cccc([N+](=O)[O-])n2)C1 ZINC001154975130 962928134 /nfs/dbraw/zinc/92/81/34/962928134.db2.gz HAVWYFXHRZHJFI-DTWKUNHWSA-N 1 0 236.275 1.672 20 5 BDBDRO Cc1ccnc(-n2cccc2C[NH3+])c1[N+](=O)[O-] ZINC001156723687 963442675 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O=[N+]([O-])c1cccc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)n1 ZINC001162790621 965174144 /nfs/dbraw/zinc/17/41/44/965174144.db2.gz UXAPXZYDMNRWRM-IVZWLZJFSA-N 1 0 246.270 1.176 20 5 BDBDRO O=[N+]([O-])c1cccc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)n1 ZINC001162790624 965178827 /nfs/dbraw/zinc/17/88/27/965178827.db2.gz UXAPXZYDMNRWRM-OPRDCNLKSA-N 1 0 246.270 1.176 20 5 BDBDRO O=[N+]([O-])c1ncccc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163262467 965320701 /nfs/dbraw/zinc/32/07/01/965320701.db2.gz BOFWDNWXWQJLJS-UTLUCORTSA-N 1 0 248.286 1.400 20 5 BDBDRO CN(CC[NH3+])c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001163686632 965501999 /nfs/dbraw/zinc/50/19/99/965501999.db2.gz BSVOEBUMPWFNLL-UHFFFAOYSA-N 1 0 246.270 1.538 20 5 BDBDRO C[NH2+]C1CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001163702407 965519651 /nfs/dbraw/zinc/51/96/51/965519651.db2.gz COTNIDSYYUZMQO-UHFFFAOYSA-N 1 0 242.666 1.051 20 5 BDBDRO Cn1c[nH+]cc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203566802 966695275 /nfs/dbraw/zinc/69/52/75/966695275.db2.gz 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O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccnn2)C1 ZINC001168967683 969321831 /nfs/dbraw/zinc/32/18/31/969321831.db2.gz SJOGEWQGPVTGRB-VHSXEESVSA-N 1 0 236.275 1.012 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC3(C2)CCOC3)C1 ZINC001169007074 969328666 /nfs/dbraw/zinc/32/86/66/969328666.db2.gz KREIUFOAIZNXPT-MNOVXSKESA-N 1 0 240.303 1.154 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001169006443 969329051 /nfs/dbraw/zinc/32/90/51/969329051.db2.gz IGJSCSPLEGIPQQ-WDEREUQCSA-N 1 0 212.293 1.918 20 5 BDBDRO C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009661 969334192 /nfs/dbraw/zinc/33/41/92/969334192.db2.gz WYDXQVJMPCPZEN-MXWKQRLJSA-N 1 0 212.293 1.916 20 5 BDBDRO C[C@]1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCOC1 ZINC001169008704 969335928 /nfs/dbraw/zinc/33/59/28/969335928.db2.gz UEQCBTGIHFDRAH-SRVKXCTJSA-N 1 0 242.319 1.591 20 5 BDBDRO CC[N@H+](CCOC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010156 969338163 /nfs/dbraw/zinc/33/81/63/969338163.db2.gz 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ZINC001169038215 969355425 /nfs/dbraw/zinc/35/54/25/969355425.db2.gz XCIULFPSKWZYKC-FIQHERPVSA-N 1 0 242.319 1.541 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001169037079 969355973 /nfs/dbraw/zinc/35/59/73/969355973.db2.gz IRGZCARUSWZWQU-NNYUYHANSA-N 1 0 240.303 1.153 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C1 ZINC001169036798 969356579 /nfs/dbraw/zinc/35/65/79/969356579.db2.gz HKQIFNYKXXSNHR-OOCWMUITSA-N 1 0 242.294 1.579 20 5 BDBDRO CC1(C)COCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037700 969358722 /nfs/dbraw/zinc/35/87/22/969358722.db2.gz SXMMAXQIQCWPLK-GHMZBOCLSA-N 1 0 242.319 1.543 20 5 BDBDRO CCCOC1C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169021907 969361895 /nfs/dbraw/zinc/36/18/95/969361895.db2.gz BAGKUBYBKXRXDQ-WDEREUQCSA-N 1 0 242.319 1.543 20 5 BDBDRO C[N@H+](CCF)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056955 969370823 /nfs/dbraw/zinc/37/08/23/969370823.db2.gz UJICLEBUUMMSCY-DTWKUNHWSA-N 1 0 204.245 1.333 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1COC1)C2 ZINC001254569527 969739406 /nfs/dbraw/zinc/73/94/06/969739406.db2.gz ZCGTUTCDUXRHML-GFCCVEGCSA-N 1 0 248.282 1.298 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CC(O)C1)C2 ZINC001254567359 969740727 /nfs/dbraw/zinc/74/07/27/969740727.db2.gz MZXYJCXOGZTIRQ-XSRFYTQQSA-N 1 0 248.282 1.175 20 5 BDBDRO O=C1CC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254585323 969745145 /nfs/dbraw/zinc/74/51/45/969745145.db2.gz VJRATKDOZVVYGW-JTQLQIEISA-N 1 0 246.266 1.383 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCc1cncn1C ZINC001222601205 972606208 /nfs/dbraw/zinc/60/62/08/972606208.db2.gz ZNJQTDQZWNBJPT-SNVBAGLBSA-N 1 0 212.317 1.031 20 5 BDBDRO COc1ccnc(NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC001171188511 972835062 /nfs/dbraw/zinc/83/50/62/972835062.db2.gz LLDVYKPMYYRJMC-UHFFFAOYSA-N 1 0 240.263 1.148 20 5 BDBDRO CC(C)([NH3+])CNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001171192673 972841928 /nfs/dbraw/zinc/84/19/28/972841928.db2.gz 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213.276 1.694 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)nn1 ZINC001226461905 974909014 /nfs/dbraw/zinc/90/90/14/974909014.db2.gz ZWTSBFYIBCBBDY-QMMMGPOBSA-N 1 0 230.719 1.604 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)ncn1 ZINC001226646006 974996666 /nfs/dbraw/zinc/99/66/66/974996666.db2.gz YOVBGCQOZOMNEG-MRVPVSSYSA-N 1 0 230.719 1.604 20 5 BDBDRO Cc1cnnc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001226717946 975046541 /nfs/dbraw/zinc/04/65/41/975046541.db2.gz KCXZLFLTJAXWCW-SNVBAGLBSA-N 1 0 210.301 1.259 20 5 BDBDRO COc1cc(C)c(O[C@H](C)C[N+](C)(C)C)cn1 ZINC001228676999 976432188 /nfs/dbraw/zinc/43/21/88/976432188.db2.gz GKUJRHFYLLRNLW-LLVKDONJSA-N 1 0 239.339 1.872 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cnncc1Cl ZINC001228938449 976589813 /nfs/dbraw/zinc/58/98/13/976589813.db2.gz KXMKWBIDXKLLBQ-MRVPVSSYSA-N 1 0 230.719 1.604 20 5 BDBDRO CN(C)c1ccc(CC[NH2+]CC[N+](=O)[O-])cc1 ZINC001334762661 976627232 /nfs/dbraw/zinc/62/72/32/976627232.db2.gz HAUSMVKTPAWQNG-UHFFFAOYSA-N 1 0 237.303 1.161 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccoc1=O ZINC001229094666 976722055 /nfs/dbraw/zinc/72/20/55/976722055.db2.gz KVWWFJIUNRSUGQ-VIFPVBQESA-N 1 0 212.269 1.113 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cc2c[nH]nc2cn1 ZINC001229235577 976800405 /nfs/dbraw/zinc/80/04/05/976800405.db2.gz FTUZUGZMLIOZQY-SECBINFHSA-N 1 0 235.311 1.431 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c2c1CCC2 ZINC001229325518 976833050 /nfs/dbraw/zinc/83/30/50/976833050.db2.gz BUSVPHDTWIYLCB-VIFPVBQESA-N 1 0 224.328 1.372 20 5 BDBDRO Cc1nc(O[C@H](C)C[N+](C)(C)C)c(C)c(=O)[nH]1 ZINC001229690539 976947276 /nfs/dbraw/zinc/94/72/76/976947276.db2.gz PJGOTEQJIQEUOE-MRVPVSSYSA-O 1 0 240.327 1.273 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1CCC(F)CC1 ZINC001335481568 977089276 /nfs/dbraw/zinc/08/92/76/977089276.db2.gz MJJUWEOZLLGQGM-UHFFFAOYSA-N 1 0 204.245 1.381 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2cccnc2o1 ZINC001230349889 977186906 /nfs/dbraw/zinc/18/69/06/977186906.db2.gz BHTGCGICQUEKRM-VIFPVBQESA-N 1 0 236.295 1.696 20 5 BDBDRO Nc1c[nH+]cn1-c1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175900656 977813321 /nfs/dbraw/zinc/81/33/21/977813321.db2.gz CKVJKQNETOSQCN-AATRIKPKSA-N 1 0 230.227 1.702 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCC(F)(F)F ZINC001336779212 977952894 /nfs/dbraw/zinc/95/28/94/977952894.db2.gz RCEAMUYMUKITLO-UHFFFAOYSA-N 1 0 200.160 1.195 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1c(N)ncnc1Cl ZINC001233631739 978652558 /nfs/dbraw/zinc/65/25/58/978652558.db2.gz TUZUWPGDLGSJSV-ZETCQYMHSA-N 1 0 245.734 1.186 20 5 BDBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH+]3CCC2CC3)ccn1 ZINC001233858684 978714859 /nfs/dbraw/zinc/71/48/59/978714859.db2.gz ZBGFPLWCNGPCKK-NSHDSACASA-N 1 0 249.270 1.463 20 5 BDBDRO C[N@@H+]1CCC[C@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233857998 978715724 /nfs/dbraw/zinc/71/57/24/978715724.db2.gz QPEKAZWJMCTYDP-JTQLQIEISA-N 1 0 237.259 1.463 20 5 BDBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001342840193 979914683 /nfs/dbraw/zinc/91/46/83/979914683.db2.gz MLVOXOAIODYCRX-AOOOYVTPSA-N 1 0 249.270 1.123 20 5 BDBDRO C[NH2+]CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001343681688 980188761 /nfs/dbraw/zinc/18/87/61/980188761.db2.gz QINRXARRFHKLJI-UHFFFAOYSA-N 1 0 223.232 1.061 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN(C1CC1)C1C[NH2+]C1 ZINC001580876036 981661472 /nfs/dbraw/zinc/66/14/72/981661472.db2.gz XUZFUBAHUWRJOF-UHFFFAOYSA-N 1 0 247.298 1.531 20 5 BDBDRO Cc1ccc(C2CC[NH+](CC[N+](=O)[O-])CC2)cn1 ZINC001351271208 982260282 /nfs/dbraw/zinc/26/02/82/982260282.db2.gz CBANMHMBDPECGB-UHFFFAOYSA-N 1 0 249.314 1.846 20 5 BDBDRO Cc1c(CNC[C@@H]2CC[NH2+]2)cccc1[N+](=O)[O-] ZINC001579534258 986076129 /nfs/dbraw/zinc/07/61/29/986076129.db2.gz ATSPKGNWRMTDMX-NSHDSACASA-N 1 0 235.287 1.355 20 5 BDBDRO Cc1cc(NC[C@@H](C)C[NH3+])c([N+](=O)[O-])s1 ZINC001579636196 986148591 /nfs/dbraw/zinc/14/85/91/986148591.db2.gz VUSGRWGBNSKBIR-LURJTMIESA-N 1 0 229.305 1.971 20 5 BDBDRO CN(C)Cc1nnc(-c2ccc([N+](=O)[O-])cn2)o1 ZINC001117260480 987814426 /nfs/dbraw/zinc/81/44/26/987814426.db2.gz LSXKUEAQPTZSPB-UHFFFAOYSA-N 1 0 249.230 1.101 20 5 BDBDRO O=[N+]([O-])c1ncccc1OC[C@@H]1CCC[NH2+]C1 ZINC001326052213 989347715 /nfs/dbraw/zinc/34/77/15/989347715.db2.gz MUPUBCPLTMZWJJ-SECBINFHSA-N 1 0 237.259 1.368 20 5 BDBDRO CC[NH+](CC)C1CCN(CC[N+](=O)[O-])CC1 ZINC001119746747 989378596 /nfs/dbraw/zinc/37/85/96/989378596.db2.gz QHCHTDYRGQXHMQ-UHFFFAOYSA-N 1 0 229.324 1.069 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccnc2ccccc12 ZINC001120473182 989662798 /nfs/dbraw/zinc/66/27/98/989662798.db2.gz ZBEIJKPOWOKNSB-UHFFFAOYSA-N 1 0 231.255 1.601 20 5 BDBDRO C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122252198 990306783 /nfs/dbraw/zinc/30/67/83/990306783.db2.gz MOTDCNXDLOAQHI-HTQZYQBOSA-N 1 0 237.259 1.119 20 5 BDBDRO C[C@@H](NC(=O)[C@H]1CC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001122252153 990307049 /nfs/dbraw/zinc/30/70/49/990307049.db2.gz LMAJGQBOUADJER-LDYMZIIASA-N 1 0 249.270 1.134 20 5 BDBDRO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001576168419 993200620 /nfs/dbraw/zinc/20/06/20/993200620.db2.gz LEBDRYQNUSWATP-WHGOUJPWSA-N 1 0 249.270 1.310 20 5 BDBDRO CC(C)([NH3+])CCNCc1ccccc1[N+](=O)[O-] ZINC000383627795 993509937 /nfs/dbraw/zinc/50/99/37/993509937.db2.gz WOGJGZVVKMVEPD-UHFFFAOYSA-N 1 0 237.303 1.812 20 5 BDBDRO C[C@H](CO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000086631696 398137883 /nfs/dbraw/zinc/13/78/83/398137883.db2.gz RSSOETOHJDVRME-JTQLQIEISA-N 1 0 238.287 1.355 20 5 BDBDRO Cc1cc(NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000035277276 178159419 /nfs/dbraw/zinc/15/94/19/178159419.db2.gz HDJROJYDYHDIJJ-UHFFFAOYSA-N 1 0 223.276 1.877 20 5 BDBDRO Cc1cc(NC[C@H]2CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000092027596 178169869 /nfs/dbraw/zinc/16/98/69/178169869.db2.gz YDJVCGBCGGATTN-SECBINFHSA-N 1 0 236.275 1.462 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[NH3+])C1 ZINC000052813056 178274397 /nfs/dbraw/zinc/27/43/97/178274397.db2.gz GEOLUPGLNLANQW-VIFPVBQESA-N 1 0 236.275 1.083 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[NH2+]1 ZINC000053255454 178273896 /nfs/dbraw/zinc/27/38/96/178273896.db2.gz ACTREMMTJKVIQZ-SECBINFHSA-N 1 0 236.275 1.462 20 5 BDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000320729054 342736359 /nfs/dbraw/zinc/73/63/59/342736359.db2.gz SMEVFLZQGJVORF-NKWVEPMBSA-N 1 0 241.247 1.043 20 5 BDBDRO CC(C)(C)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000124600309 398315222 /nfs/dbraw/zinc/31/52/22/398315222.db2.gz WDILMCTXCWHAKY-UHFFFAOYSA-N 1 0 226.280 1.427 20 5 BDBDRO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCC[NH2+]C1 ZINC000043326130 343051102 /nfs/dbraw/zinc/05/11/02/343051102.db2.gz YODYSOHFFCWUKG-SECBINFHSA-N 1 0 239.250 1.898 20 5 BDBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000043327079 343051318 /nfs/dbraw/zinc/05/13/18/343051318.db2.gz JLSPNBGQHBIPDJ-LLVKDONJSA-N 1 0 235.287 1.436 20 5 BDBDRO C[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000035602413 343299177 /nfs/dbraw/zinc/29/91/77/343299177.db2.gz VOYYWLSQGMWMKN-QMMMGPOBSA-N 1 0 210.233 1.065 20 5 BDBDRO C[C@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677776 343301745 /nfs/dbraw/zinc/30/17/45/343301745.db2.gz BCRVIGPIZGEGOX-VIFPVBQESA-N 1 0 224.260 1.108 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCCO)c1 ZINC000040744111 343408974 /nfs/dbraw/zinc/40/89/74/343408974.db2.gz SUSYWCWHMMPNFC-UHFFFAOYSA-N 1 0 224.260 1.457 20 5 BDBDRO CC(C)(C)[NH2+]CCNc1ncccc1[N+](=O)[O-] ZINC000057839417 343694487 /nfs/dbraw/zinc/69/44/87/343694487.db2.gz KVVZXVKJZVNSBT-UHFFFAOYSA-N 1 0 238.291 1.790 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209512577 349879141 /nfs/dbraw/zinc/87/91/41/349879141.db2.gz QEDWPUAWXJWYPI-SKDRFNHKSA-N 1 0 233.271 1.393 20 5 BDBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000339627915 344673292 /nfs/dbraw/zinc/67/32/92/344673292.db2.gz DIZOOFCFXFLXGI-SNVBAGLBSA-N 1 0 238.287 1.798 20 5 BDBDRO Cc1ccc(N2CC([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000271718460 178713005 /nfs/dbraw/zinc/71/30/05/178713005.db2.gz JAAYMZQXLQRXJW-UHFFFAOYSA-N 1 0 235.287 1.653 20 5 BDBDRO Cc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000019432976 178747789 /nfs/dbraw/zinc/74/77/89/178747789.db2.gz UJPQDNYYDOQUFZ-SNVBAGLBSA-N 1 0 249.270 1.594 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]C2)cn1 ZINC000044502785 345099654 /nfs/dbraw/zinc/09/96/54/345099654.db2.gz UFCNYVVUQMTUKK-VIFPVBQESA-N 1 0 236.275 1.401 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]C2)cn1 ZINC000044502783 345099659 /nfs/dbraw/zinc/09/96/59/345099659.db2.gz UFCNYVVUQMTUKK-SECBINFHSA-N 1 0 236.275 1.401 20 5 BDBDRO O=[N+]([O-])c1ccccc1CNC[C@@H]1CCCC[NH2+]1 ZINC000236411028 346237098 /nfs/dbraw/zinc/23/70/98/346237098.db2.gz DGHOBCRYWZCDEF-LBPRGKRZSA-N 1 0 249.314 1.827 20 5 BDBDRO Cc1cccc(N[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000235930018 179157119 /nfs/dbraw/zinc/15/71/19/179157119.db2.gz FKOYMLPYUZUIFA-VIFPVBQESA-N 1 0 221.260 1.677 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[NH2+]CC1 ZINC000147850458 179206004 /nfs/dbraw/zinc/20/60/04/179206004.db2.gz MXMYKAOPBSAMSI-UHFFFAOYSA-N 1 0 235.287 1.703 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000131253786 179206355 /nfs/dbraw/zinc/20/63/55/179206355.db2.gz BNDGAVPCYRSYBV-PHIMTYICSA-N 1 0 247.298 1.559 20 5 BDBDRO C[C@@H](CCO)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000593110388 347861174 /nfs/dbraw/zinc/86/11/74/347861174.db2.gz WKMOHKOKENEYNY-JTQLQIEISA-N 1 0 238.287 1.798 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)CCF)cs1 ZINC000593689238 347927410 /nfs/dbraw/zinc/92/74/10/347927410.db2.gz MCWXZWQDRHZYMM-MRVPVSSYSA-N 1 0 248.279 1.466 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)CCF ZINC000593689259 347927596 /nfs/dbraw/zinc/92/75/96/347927596.db2.gz MXOWPIUXNBWEHD-SNVBAGLBSA-N 1 0 242.250 1.405 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)CCF)c1 ZINC000593688293 347927649 /nfs/dbraw/zinc/92/76/49/347927649.db2.gz FMYUREGXFDDCEV-JTQLQIEISA-N 1 0 242.250 1.405 20 5 BDBDRO Cc1ccc(C[NH2+]C/C=C\CO)cc1[N+](=O)[O-] ZINC000594973510 348161883 /nfs/dbraw/zinc/16/18/83/348161883.db2.gz DRFBBAHRQHFSGW-IHWYPQMZSA-N 1 0 236.271 1.541 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C/C=C\CO ZINC000595071627 348188769 /nfs/dbraw/zinc/18/87/69/348188769.db2.gz POZBBLOBZZAZCP-BIOMNHJASA-N 1 0 248.282 1.720 20 5 BDBDRO C[NH+](C)CC1CN(c2ncc([N+](=O)[O-])s2)C1 ZINC000596246096 348486401 /nfs/dbraw/zinc/48/64/01/348486401.db2.gz BHDALARUVQKTCV-UHFFFAOYSA-N 1 0 242.304 1.049 20 5 BDBDRO C[C@H](CCNc1c([N+](=O)[O-])ncn1C)[NH+](C)C ZINC000596424286 348528652 /nfs/dbraw/zinc/52/86/52/348528652.db2.gz GETIXJGLNRHZFT-MRVPVSSYSA-N 1 0 241.295 1.080 20 5 BDBDRO C[C@@H](O)C1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000597233955 348700540 /nfs/dbraw/zinc/70/05/40/348700540.db2.gz DMUPRKZZGJHTOI-SECBINFHSA-N 1 0 236.271 1.598 20 5 BDBDRO C[C@@H]([NH3+])CCNc1ncc([N+](=O)[O-])cc1F ZINC000420154000 192164252 /nfs/dbraw/zinc/16/42/52/192164252.db2.gz HMARVCYFIGADCS-ZCFIWIBFSA-N 1 0 228.227 1.278 20 5 BDBDRO Cc1nc(NCC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000132133291 180015578 /nfs/dbraw/zinc/01/55/78/180015578.db2.gz ULFUPCWMTAVOTC-UHFFFAOYSA-N 1 0 224.264 1.447 20 5 BDBDRO Cc1nc(NC[C@H](C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296215064 180019264 /nfs/dbraw/zinc/01/92/64/180019264.db2.gz CUPNMCZOWINRGL-ZETCQYMHSA-N 1 0 239.279 1.055 20 5 BDBDRO C[C@@H]1C[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350086685 350315486 /nfs/dbraw/zinc/31/54/86/350315486.db2.gz UFHQMQRXLSEPIC-NXEZZACHSA-N 1 0 238.291 1.522 20 5 BDBDRO CC(C)[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000134697536 191108689 /nfs/dbraw/zinc/10/86/89/191108689.db2.gz VCERSWLJCNVUSN-GFCCVEGCSA-N 1 0 238.287 1.701 20 5 BDBDRO CCN(CC[NH3+])C(=O)c1ccccc1[N+](=O)[O-] ZINC000306050386 350588588 /nfs/dbraw/zinc/58/85/88/350588588.db2.gz WBFOAYHQTXCYRD-UHFFFAOYSA-N 1 0 237.259 1.016 20 5 BDBDRO [NH3+][C@H]1CCC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000382426673 350742066 /nfs/dbraw/zinc/74/20/66/350742066.db2.gz MWHWILPDNXAEPA-IUCAKERBSA-N 1 0 236.275 1.672 20 5 BDBDRO C[C@H](C[NH3+])N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000383018333 351166495 /nfs/dbraw/zinc/16/64/95/351166495.db2.gz LYCHLCWNVFGHFO-SNVBAGLBSA-N 1 0 237.303 1.416 20 5 BDBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000386911862 363060890 /nfs/dbraw/zinc/06/08/90/363060890.db2.gz QCDSLFCLSMTTCH-JOYOIKCWSA-N 1 0 238.287 1.844 20 5 BDBDRO Cc1cc(N[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000092027693 188223036 /nfs/dbraw/zinc/22/30/36/188223036.db2.gz RBZJRMJAEQZXJG-SECBINFHSA-N 1 0 236.275 1.462 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000449747791 202019790 /nfs/dbraw/zinc/01/97/90/202019790.db2.gz KFPKCIJSRSDMTA-JGZJWPJOSA-N 1 0 222.244 1.208 20 5 BDBDRO C[NH+](C)CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413027433 191330861 /nfs/dbraw/zinc/33/08/61/191330861.db2.gz YWRIRIHYHJZXMV-UHFFFAOYSA-N 1 0 242.254 1.493 20 5 BDBDRO [NH3+]CCCc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000229823561 355420229 /nfs/dbraw/zinc/42/02/29/355420229.db2.gz RQOGUOZUSWJSNK-UHFFFAOYSA-N 1 0 247.258 1.067 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](C)C1 ZINC000088058779 356469081 /nfs/dbraw/zinc/46/90/81/356469081.db2.gz SANIZMPPHDJHML-QWRGUYRKSA-N 1 0 249.314 1.950 20 5 BDBDRO C[C@@H](CO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000088195093 356586177 /nfs/dbraw/zinc/58/61/77/356586177.db2.gz WXHLBYKRVOOHOA-SECBINFHSA-N 1 0 224.260 1.313 20 5 BDBDRO CN(Cc1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000385034117 356872476 /nfs/dbraw/zinc/87/24/76/356872476.db2.gz QIBDFQBFWKVYTO-UHFFFAOYSA-N 1 0 235.287 1.516 20 5 BDBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000385232221 357023521 /nfs/dbraw/zinc/02/35/21/357023521.db2.gz ODWPPGKXQRHLIP-YPMHNXCESA-N 1 0 247.298 1.389 20 5 BDBDRO C[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423231533 192643038 /nfs/dbraw/zinc/64/30/38/192643038.db2.gz GSLWSCMLQBATLF-ZYHUDNBSSA-N 1 0 249.314 1.997 20 5 BDBDRO CCO[C@@H]1C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000583182640 357511134 /nfs/dbraw/zinc/51/11/34/357511134.db2.gz HVLJWHHDSMSZKA-VXGBXAGGSA-N 1 0 236.271 1.862 20 5 BDBDRO CSCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000152533163 359477162 /nfs/dbraw/zinc/47/71/62/359477162.db2.gz IMMFUFGFFRDINR-UHFFFAOYSA-N 1 0 244.320 1.086 20 5 BDBDRO O=C(NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000054265969 359760487 /nfs/dbraw/zinc/76/04/87/359760487.db2.gz YHRFWJRGQYXYCQ-UHFFFAOYSA-N 1 0 249.270 1.077 20 5 BDBDRO CC[C@@H](C)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539006 360077907 /nfs/dbraw/zinc/07/79/07/360077907.db2.gz XMEUXGAMUKVEOE-ZJUUUORDSA-N 1 0 240.307 1.816 20 5 BDBDRO CC(C)([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000122264956 200689569 /nfs/dbraw/zinc/68/95/69/200689569.db2.gz MUCMQCUETAOCEO-UHFFFAOYSA-N 1 0 237.259 1.062 20 5 BDBDRO Cc1c(NC(=O)C[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000037386765 363845161 /nfs/dbraw/zinc/84/51/61/363845161.db2.gz DCMUAVOPGSDHDU-UHFFFAOYSA-N 1 0 249.270 1.594 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCOC2)cs1 ZINC000037739034 364559897 /nfs/dbraw/zinc/55/98/97/364559897.db2.gz RLXRCLCAVBTWTN-QMMMGPOBSA-N 1 0 242.300 1.782 20 5 BDBDRO C[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766518 364599466 /nfs/dbraw/zinc/59/94/66/364599466.db2.gz XWEQJADSMKZYHX-HTQZYQBOSA-N 1 0 237.259 1.119 20 5 BDBDRO [NH3+]CCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000037714999 181377811 /nfs/dbraw/zinc/37/78/11/181377811.db2.gz CVURJYRKZCETOG-UHFFFAOYSA-N 1 0 227.239 1.885 20 5 BDBDRO Cc1ccc(CN(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000580714317 367148979 /nfs/dbraw/zinc/14/89/79/367148979.db2.gz XJEMYWPSSGOYTF-GFCCVEGCSA-N 1 0 249.314 1.697 20 5 BDBDRO CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394528 370869511 /nfs/dbraw/zinc/86/95/11/370869511.db2.gz ULTNALXRIDOELV-SECBINFHSA-N 1 0 224.264 1.448 20 5 BDBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401953449 369375665 /nfs/dbraw/zinc/37/56/65/369375665.db2.gz WENJHRWEMBZNBP-KOLCDFICSA-N 1 0 236.271 1.862 20 5 BDBDRO C[C@H]([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000111302110 370126087 /nfs/dbraw/zinc/12/60/87/370126087.db2.gz BOGVYVZFLBLNHF-ZETCQYMHSA-N 1 0 238.247 1.064 20 5 BDBDRO C[C@H](O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000078780265 370600906 /nfs/dbraw/zinc/60/09/06/370600906.db2.gz BDBUTAJYUUQBSD-VIFPVBQESA-N 1 0 224.260 1.455 20 5 BDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000041028135 181644055 /nfs/dbraw/zinc/64/40/55/181644055.db2.gz ORSMSMXVHZIEOH-VIFPVBQESA-N 1 0 249.270 1.158 20 5 BDBDRO O=[N+]([O-])c1ccc2nccc(N3CC(O)C3)c2c1 ZINC000601110680 371728559 /nfs/dbraw/zinc/72/85/59/371728559.db2.gz KIIKSEKCCNTMRU-UHFFFAOYSA-N 1 0 245.238 1.324 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327039 371748079 /nfs/dbraw/zinc/74/80/79/371748079.db2.gz KVVWZAYJZIBAFS-VWYCJHECSA-N 1 0 247.298 1.702 20 5 BDBDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1cccc([N+](=O)[O-])c1 ZINC000601329841 371748117 /nfs/dbraw/zinc/74/81/17/371748117.db2.gz MZVMWAXJDZWFSG-KOLCDFICSA-N 1 0 235.287 1.516 20 5 BDBDRO Cc1ccc(OCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000304436549 371789939 /nfs/dbraw/zinc/78/99/39/371789939.db2.gz HEGIAOYCPGXWIJ-UHFFFAOYSA-N 1 0 222.244 1.501 20 5 BDBDRO CCC[C@H](C)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602440628 371804914 /nfs/dbraw/zinc/80/49/14/371804914.db2.gz QPUGUUSGDXKUJC-VIFPVBQESA-N 1 0 240.307 1.949 20 5 BDBDRO CC(C)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602763497 371838805 /nfs/dbraw/zinc/83/88/05/371838805.db2.gz PCMZYDJCMGFZLC-UHFFFAOYSA-N 1 0 238.291 1.701 20 5 BDBDRO CCC(C)(C)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602791166 371840769 /nfs/dbraw/zinc/84/07/69/371840769.db2.gz SKTOPGSPQIGMKJ-UHFFFAOYSA-N 1 0 240.307 1.949 20 5 BDBDRO CN1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000040672422 373586939 /nfs/dbraw/zinc/58/69/39/373586939.db2.gz CKJFGTKBCNWNOP-GFCCVEGCSA-N 1 0 249.314 1.779 20 5 BDBDRO C[NH2+]CCN(C)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000420230323 206024183 /nfs/dbraw/zinc/02/41/83/206024183.db2.gz XAHAJYGQDHAPKU-UHFFFAOYSA-N 1 0 238.291 1.262 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@H]1O ZINC000424202561 206036385 /nfs/dbraw/zinc/03/63/85/206036385.db2.gz PYIZGZQSCMZNPY-VXGBXAGGSA-N 1 0 236.271 1.516 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]2)cc1 ZINC000053255002 182935945 /nfs/dbraw/zinc/93/59/45/182935945.db2.gz YHGYXQSAFLUMJG-SNVBAGLBSA-N 1 0 221.260 1.759 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[NH2+]C2)cc1 ZINC000052093709 182937925 /nfs/dbraw/zinc/93/79/25/182937925.db2.gz SEPBANHYPUZZMQ-VIFPVBQESA-N 1 0 207.233 1.369 20 5 BDBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CC[NH2+]C3)nc2c1 ZINC000094772127 182940822 /nfs/dbraw/zinc/94/08/22/182940822.db2.gz HDHHJGPCCFNNCJ-ZETCQYMHSA-N 1 0 247.258 1.245 20 5 BDBDRO CCC[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000267083833 169123811 /nfs/dbraw/zinc/12/38/11/169123811.db2.gz NTHAMYYDOWEVAE-UHFFFAOYSA-N 1 0 226.280 1.523 20 5 BDBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC2)cc1 ZINC000336666501 384249463 /nfs/dbraw/zinc/24/94/63/384249463.db2.gz FPXDTNPVFLPBKB-UHFFFAOYSA-N 1 0 221.260 1.712 20 5 BDBDRO C[C@@H](CC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000336696135 384253063 /nfs/dbraw/zinc/25/30/63/384253063.db2.gz IPZKWADDABRRTI-QMMMGPOBSA-N 1 0 237.259 1.062 20 5 BDBDRO C[C@@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])s1 ZINC000226771465 384309718 /nfs/dbraw/zinc/30/97/18/384309718.db2.gz VMLDASRJLLSAEN-ZETCQYMHSA-N 1 0 244.320 1.803 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)C2CC2)cs1 ZINC000070882353 384366823 /nfs/dbraw/zinc/36/68/23/384366823.db2.gz AJIFMOZETGNJKP-SECBINFHSA-N 1 0 242.300 1.517 20 5 BDBDRO CC[NH+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000176196963 384464154 /nfs/dbraw/zinc/46/41/54/384464154.db2.gz WXDYQHUAZSBJFZ-UHFFFAOYSA-N 1 0 212.253 1.133 20 5 BDBDRO CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000071311527 384816214 /nfs/dbraw/zinc/81/62/14/384816214.db2.gz SFTBNXZHSTZWNF-CYBMUJFWSA-N 1 0 249.314 1.431 20 5 BDBDRO Cc1c(CN(C)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000071311526 384813867 /nfs/dbraw/zinc/81/38/67/384813867.db2.gz LWCAPMSFKMFLSX-LBPRGKRZSA-N 1 0 249.314 1.697 20 5 BDBDRO C[C@H](C[NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000262062242 384957196 /nfs/dbraw/zinc/95/71/96/384957196.db2.gz ISFOBDYDLWRUIL-MRVPVSSYSA-N 1 0 249.270 1.079 20 5 BDBDRO [NH3+]CCCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148419309 384927384 /nfs/dbraw/zinc/92/73/84/384927384.db2.gz GWLHCBJLBLARHS-UHFFFAOYSA-N 1 0 244.682 1.794 20 5 BDBDRO Cc1ccnc(NCC2([NH3+])CCC2)c1[N+](=O)[O-] ZINC000235931291 384984469 /nfs/dbraw/zinc/98/44/69/384984469.db2.gz AJADWCKNCZYVJA-UHFFFAOYSA-N 1 0 236.275 1.592 20 5 BDBDRO [NH3+]C[C@H]1CCCCN1c1ncc([N+](=O)[O-])s1 ZINC000226779469 385051023 /nfs/dbraw/zinc/05/10/23/385051023.db2.gz GUUWUZLEVINJPF-SSDOTTSWSA-N 1 0 242.304 1.369 20 5 BDBDRO CC[NH+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351332 385135000 /nfs/dbraw/zinc/13/50/00/385135000.db2.gz GKJWRRQSWUCMDO-GFCCVEGCSA-N 1 0 238.287 1.970 20 5 BDBDRO C[C@@H](C[NH+](C)C)Nc1ncccc1[N+](=O)[O-] ZINC000130625448 385267081 /nfs/dbraw/zinc/26/70/81/385267081.db2.gz GHSPWHGXTRDBMA-QMMMGPOBSA-N 1 0 224.264 1.352 20 5 BDBDRO CC[C@@H]([NH3+])CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149428346 385558126 /nfs/dbraw/zinc/55/81/26/385558126.db2.gz YYNDQOURHPVGMQ-SSDOTTSWSA-N 1 0 244.682 1.792 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](C)O ZINC000291281003 385852873 /nfs/dbraw/zinc/85/28/73/385852873.db2.gz QJVVSQQEGOJOJA-VHSXEESVSA-N 1 0 238.287 1.968 20 5 BDBDRO CC[C@@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1C ZINC000414974183 386004163 /nfs/dbraw/zinc/00/41/63/386004163.db2.gz DCQVRDCBDFPBBP-LLVKDONJSA-N 1 0 237.303 1.730 20 5 BDBDRO C[C@@H](CO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000086624245 386079908 /nfs/dbraw/zinc/07/99/08/386079908.db2.gz IQVDQVZOUDOEIE-ZJUUUORDSA-N 1 0 238.287 1.874 20 5 BDBDRO C[C@H]([NH3+])CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000063169968 386323824 /nfs/dbraw/zinc/32/38/24/386323824.db2.gz BQDZVQHXKHMOFJ-LURJTMIESA-N 1 0 243.288 1.123 20 5 BDBDRO O=[N+]([O-])c1cc(CNC[C@@H]2CCC[NH2+]2)cs1 ZINC000414848110 387381500 /nfs/dbraw/zinc/38/15/00/387381500.db2.gz PMAVHUUCGDOZOA-VIFPVBQESA-N 1 0 241.316 1.498 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)C[NH3+] ZINC000347151085 387516554 /nfs/dbraw/zinc/51/65/54/387516554.db2.gz ZIXZLBJCNDQXDY-JTQLQIEISA-N 1 0 237.303 1.682 20 5 BDBDRO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)CCC1 ZINC000414630043 387540416 /nfs/dbraw/zinc/54/04/16/387540416.db2.gz SQEYFKTXLPGXEX-UHFFFAOYSA-N 1 0 249.230 1.311 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000415012628 387663417 /nfs/dbraw/zinc/66/34/17/387663417.db2.gz SYCHEYLUHMZJGT-MGVUPCTHSA-N 1 0 249.314 1.933 20 5 BDBDRO C[C@H](C[NH3+])N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000347034789 387842554 /nfs/dbraw/zinc/84/25/54/387842554.db2.gz CNJUVXJHYRTKJN-OKPNEXGHSA-N 1 0 249.314 1.887 20 5 BDBDRO CCOCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000036228360 387883775 /nfs/dbraw/zinc/88/37/75/387883775.db2.gz VRADVJRXRDAPIO-UHFFFAOYSA-N 1 0 224.260 1.721 20 5 BDBDRO C[C@H](C[NH3+])N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000347038292 387917350 /nfs/dbraw/zinc/91/73/50/387917350.db2.gz GKETUNNPSRANCJ-MRVPVSSYSA-N 1 0 241.266 1.513 20 5 BDBDRO C[C@@H](C[NH+](C)C)NCc1csc([N+](=O)[O-])c1 ZINC000130256015 388002650 /nfs/dbraw/zinc/00/26/50/388002650.db2.gz FSGFOQIWTKSXQP-QMMMGPOBSA-N 1 0 243.332 1.696 20 5 BDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000174838196 388092416 /nfs/dbraw/zinc/09/24/16/388092416.db2.gz ZYTXIEKFVGBCGI-UHFFFAOYSA-N 1 0 226.280 1.522 20 5 BDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@H](C)C[NH2+]1 ZINC000086471326 388102416 /nfs/dbraw/zinc/10/24/16/388102416.db2.gz RQVGDKNVMVATFC-RKDXNWHRSA-N 1 0 236.275 1.176 20 5 BDBDRO CC(C)([NH3+])CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000132854562 388370600 /nfs/dbraw/zinc/37/06/00/388370600.db2.gz LIYDYAWIMLNPEH-UHFFFAOYSA-N 1 0 243.288 1.123 20 5 BDBDRO Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000271109714 388373521 /nfs/dbraw/zinc/37/35/21/388373521.db2.gz SZIDRJLCDDEDRD-NSHDSACASA-N 1 0 236.271 1.470 20 5 BDBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000354558858 388381026 /nfs/dbraw/zinc/38/10/26/388381026.db2.gz BNLPWQQNQGPILR-UHFFFAOYSA-N 1 0 248.286 1.664 20 5 BDBDRO Cc1sc(C(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000194878202 388453718 /nfs/dbraw/zinc/45/37/18/388453718.db2.gz QDZXKUWHTANXQH-RXMQYKEDSA-N 1 0 243.288 1.042 20 5 BDBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000077422249 388674888 /nfs/dbraw/zinc/67/48/88/388674888.db2.gz NYNGESMSLLGVFA-UWVGGRQHSA-N 1 0 238.287 1.701 20 5 BDBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000077422238 388674980 /nfs/dbraw/zinc/67/49/80/388674980.db2.gz NYNGESMSLLGVFA-VHSXEESVSA-N 1 0 238.287 1.701 20 5 BDBDRO [NH3+][C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000422948931 388686723 /nfs/dbraw/zinc/68/67/23/388686723.db2.gz SGQRIMNAZKBFNO-NEPJUHHUSA-N 1 0 235.287 1.564 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCC2)cs1 ZINC000123172341 388631222 /nfs/dbraw/zinc/63/12/22/388631222.db2.gz QZDBYYXCCSOTGZ-UHFFFAOYSA-N 1 0 242.300 1.661 20 5 BDBDRO C[C@@H](O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000078781238 388685697 /nfs/dbraw/zinc/68/56/97/388685697.db2.gz NDYDYBHPCDYOKF-SECBINFHSA-N 1 0 224.260 1.455 20 5 BDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cocn1 ZINC000277001127 388744160 /nfs/dbraw/zinc/74/41/60/388744160.db2.gz JWZZSRYXRRHUFA-UHFFFAOYSA-N 1 0 247.254 1.915 20 5 BDBDRO C[C@@H](N[C@@H](C)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423372586 388691645 /nfs/dbraw/zinc/69/16/45/388691645.db2.gz RERYEQVOXZTGEM-DTWKUNHWSA-N 1 0 223.276 1.593 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372301481 388702911 /nfs/dbraw/zinc/70/29/11/388702911.db2.gz NMWSXNYQNLBUJM-GFCCVEGCSA-N 1 0 248.282 1.552 20 5 BDBDRO CC[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000080108516 388706224 /nfs/dbraw/zinc/70/62/24/388706224.db2.gz BHCWYAMFVBSRDR-GFCCVEGCSA-N 1 0 238.287 1.845 20 5 BDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC000375307501 388718576 /nfs/dbraw/zinc/71/85/76/388718576.db2.gz GXWIBQYOEGGDPC-LBPRGKRZSA-N 1 0 248.282 1.552 20 5 BDBDRO C[C@@H](CO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000082285478 388724478 /nfs/dbraw/zinc/72/44/78/388724478.db2.gz XWDOCDKASSAUAD-SSDOTTSWSA-N 1 0 230.289 1.374 20 5 BDBDRO C[C@@H]([NH3+])CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000070314885 388729740 /nfs/dbraw/zinc/72/97/40/388729740.db2.gz CDCXUJHIQWCKAP-MRVPVSSYSA-N 1 0 237.259 1.661 20 5 BDBDRO Cc1ccnc(NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000070495981 388729906 /nfs/dbraw/zinc/72/99/06/388729906.db2.gz WZWMRZSVNAFGHP-VIFPVBQESA-N 1 0 238.291 1.660 20 5 BDBDRO Cn1nccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037502764 388887141 /nfs/dbraw/zinc/88/71/41/388887141.db2.gz MPDONNFXLRHECK-UHFFFAOYSA-N 1 0 246.270 1.618 20 5 BDBDRO [NH3+]C[C@H]1CCCCN1c1ccccc1[N+](=O)[O-] ZINC000044559486 132225108 /nfs/dbraw/zinc/22/51/08/132225108.db2.gz VANPZUPHBGDQDH-SNVBAGLBSA-N 1 0 235.287 1.912 20 5 BDBDRO [NH3+]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000044532062 132354463 /nfs/dbraw/zinc/35/44/63/132354463.db2.gz MXVIJKNNTYODRY-VIFPVBQESA-N 1 0 236.275 1.165 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)C(F)F)c1 ZINC000226577818 134367022 /nfs/dbraw/zinc/36/70/22/134367022.db2.gz PVMWLVDHUYTSBO-VIFPVBQESA-N 1 0 246.213 1.310 20 5 BDBDRO [NH3+][C@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261544665 135185991 /nfs/dbraw/zinc/18/59/91/135185991.db2.gz FDKXAZHWITYLEH-QMMMGPOBSA-N 1 0 239.250 1.661 20 5 BDBDRO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000261549774 135188695 /nfs/dbraw/zinc/18/86/95/135188695.db2.gz KFJSAHYFFSZCSE-GXFFZTMASA-N 1 0 249.314 1.416 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261552783 135192124 /nfs/dbraw/zinc/19/21/24/135192124.db2.gz NKEZVQBYNCYEAU-ZJUUUORDSA-N 1 0 235.287 1.829 20 5 BDBDRO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000261553867 135193965 /nfs/dbraw/zinc/19/39/65/135193965.db2.gz OIPDQIYVSGKGNZ-APPZFPTMSA-N 1 0 239.250 1.660 20 5 BDBDRO C[C@H]1[C@H]([NH3+])CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000261553869 135194018 /nfs/dbraw/zinc/19/40/18/135194018.db2.gz OIPDQIYVSGKGNZ-IONNQARKSA-N 1 0 239.250 1.660 20 5 BDBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]12 ZINC000261563503 135205166 /nfs/dbraw/zinc/20/51/66/135205166.db2.gz GXYVPQQSTPMVTF-INTQDDNPSA-N 1 0 248.286 1.163 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261565618 135207447 /nfs/dbraw/zinc/20/74/47/135207447.db2.gz HVBMSSLURVKUSR-ZJUUUORDSA-N 1 0 248.286 1.036 20 5 BDBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000261581954 135222009 /nfs/dbraw/zinc/22/20/09/135222009.db2.gz QZAVZHIUHQYOFB-GARJFASQSA-N 1 0 247.298 1.768 20 5 BDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000261583716 135225057 /nfs/dbraw/zinc/22/50/57/135225057.db2.gz RWLCBIUKNCOFKR-LDYMZIIASA-N 1 0 249.270 1.157 20 5 BDBDRO C[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414949546 398123752 /nfs/dbraw/zinc/12/37/52/398123752.db2.gz ZVAMSEODRKEZJZ-ZETCQYMHSA-N 1 0 243.694 1.685 20 5 BDBDRO CC[NH2+]CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000155921491 170116283 /nfs/dbraw/zinc/11/62/83/170116283.db2.gz BCFKIDPZSATJKE-UHFFFAOYSA-N 1 0 239.275 1.625 20 5 BDBDRO CC[NH2+]CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000104247965 170116504 /nfs/dbraw/zinc/11/65/04/170116504.db2.gz WCVMBJIXBUPFAL-UHFFFAOYSA-N 1 0 239.275 1.625 20 5 BDBDRO CC[NH2+]CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000135051146 170116686 /nfs/dbraw/zinc/11/66/86/170116686.db2.gz WUSRWNGJGBRZPV-UHFFFAOYSA-N 1 0 239.275 1.625 20 5 BDBDRO CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293823548 170141706 /nfs/dbraw/zinc/14/17/06/170141706.db2.gz SCYGZQMYZJVAEH-ZETCQYMHSA-N 1 0 209.249 1.848 20 5 BDBDRO CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293823544 170159483 /nfs/dbraw/zinc/15/94/83/170159483.db2.gz SCYGZQMYZJVAEH-SSDOTTSWSA-N 1 0 209.249 1.848 20 5 BDBDRO C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000022798833 173019377 /nfs/dbraw/zinc/01/93/77/173019377.db2.gz PRGFHJTXOUUKAQ-UHFFFAOYSA-N 1 0 236.275 1.132 20 5 BDBDRO CN1CCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000122040282 173034799 /nfs/dbraw/zinc/03/47/99/173034799.db2.gz CRSYGYDBRGVXBZ-CYBMUJFWSA-N 1 0 249.314 1.779 20 5 BDBDRO C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226770085 173146786 /nfs/dbraw/zinc/14/67/86/173146786.db2.gz LMAPMKRZGWCECL-SSDOTTSWSA-N 1 0 242.304 1.415 20 5 BDBDRO C[NH2+]CCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000069802620 173353945 /nfs/dbraw/zinc/35/39/45/173353945.db2.gz PERRMFNUBSJRHT-UHFFFAOYSA-N 1 0 227.239 1.390 20 5 BDBDRO C[NH2+]C[C@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000133308243 173380647 /nfs/dbraw/zinc/38/06/47/173380647.db2.gz AOPQNJRPZPOVTO-SECBINFHSA-N 1 0 236.275 1.178 20 5 BDBDRO C[NH2+]C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000071147819 173381596 /nfs/dbraw/zinc/38/15/96/173381596.db2.gz JPJJJUWSDNZEAQ-SNVBAGLBSA-N 1 0 235.287 1.641 20 5 BDBDRO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157321412 176099629 /nfs/dbraw/zinc/09/96/29/176099629.db2.gz CPSWHYPAHBIAAQ-SNVBAGLBSA-N 1 0 238.291 1.523 20 5 BDBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000070533550 176305430 /nfs/dbraw/zinc/30/54/30/176305430.db2.gz FABILDIDVFCXRW-GHMZBOCLSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000293520261 177256710 /nfs/dbraw/zinc/25/67/10/177256710.db2.gz VZJITJKRYKSLIC-IUCAKERBSA-N 1 0 224.264 1.132 20 5 BDBDRO Cn1cnc([N+](=O)[O-])c1NC(C)(C)C[NH+](C)C ZINC000308649284 229237554 /nfs/dbraw/zinc/23/75/54/229237554.db2.gz WUADCNGOJBBPNF-UHFFFAOYSA-N 1 0 241.295 1.080 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCC1CCOCC1 ZINC000905273760 637732270 /nfs/dbraw/zinc/73/22/70/637732270.db2.gz MNVCLPYBVKJOON-UHFFFAOYSA-N 1 0 216.281 1.060 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCO ZINC000159696424 323044157 /nfs/dbraw/zinc/04/41/57/323044157.db2.gz KEHREIPOZWFOKC-VIFPVBQESA-N 1 0 224.260 1.546 20 5 BDBDRO COCCN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103469326 323250566 /nfs/dbraw/zinc/25/05/66/323250566.db2.gz HHQDESGFHPYVEQ-UHFFFAOYSA-N 1 0 242.250 1.812 20 5 BDBDRO COc1cccc([N+](=O)[O-])c1NCC[NH+](C)C ZINC000567486844 326202763 /nfs/dbraw/zinc/20/27/63/326202763.db2.gz WKWNYHGCCQURNO-UHFFFAOYSA-N 1 0 239.275 1.577 20 5 BDBDRO CC[C@H](C(=O)OC[C@@H](C)[N+](=O)[O-])[NH+](CC)CC ZINC000813115117 582592074 /nfs/dbraw/zinc/59/20/74/582592074.db2.gz KURSRBWXOFGJMP-NXEZZACHSA-N 1 0 246.307 1.315 20 5 BDBDRO Cc1ccc(OCC[NH2+]CC[N+](=O)[O-])cc1 ZINC000899860296 584242757 /nfs/dbraw/zinc/24/27/57/584242757.db2.gz QLJVTTLPFMRMII-UHFFFAOYSA-N 1 0 224.260 1.240 20 5 BDBDRO C[C@@H]([NH2+]CCCON)c1cccc([N+](=O)[O-])c1 ZINC000902431411 584595421 /nfs/dbraw/zinc/59/54/21/584595421.db2.gz LJRMATRJLBZSLD-SECBINFHSA-N 1 0 239.275 1.526 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CNOC1 ZINC000904421495 584881834 /nfs/dbraw/zinc/88/18/34/584881834.db2.gz HBGLUAOMZWXCQY-USEMIUTHSA-N 1 0 249.270 1.101 20 5 BDBDRO CC1CCC([N@H+](C)CC[N+](=O)[O-])CC1 ZINC000791054838 585973349 /nfs/dbraw/zinc/97/33/49/585973349.db2.gz ZDBUXVJAMNHPTP-UHFFFAOYSA-N 1 0 200.282 1.774 20 5 BDBDRO CCO[C@@H]1C[C@H]([N@H+](C)CC[N+](=O)[O-])C1(C)C ZINC000798197735 586140353 /nfs/dbraw/zinc/14/03/53/586140353.db2.gz UMNACTBUKNWHLW-VHSXEESVSA-N 1 0 230.308 1.399 20 5 BDBDRO C[NH2+]CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817953229 586849049 /nfs/dbraw/zinc/84/90/49/586849049.db2.gz XRDLRSFOQMKREQ-MRVPVSSYSA-N 1 0 238.291 1.047 20 5 BDBDRO [NH2+]=C(NCc1cccc([N+](=O)[O-])c1)N1CCC1 ZINC000848992069 588427482 /nfs/dbraw/zinc/42/74/82/588427482.db2.gz HFRPMPYJFVCBDX-UHFFFAOYSA-N 1 0 234.259 1.325 20 5 BDBDRO CC(C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876884416 590253539 /nfs/dbraw/zinc/25/35/39/590253539.db2.gz IPSAJZLHFHRREN-UHFFFAOYSA-N 1 0 238.291 1.740 20 5 BDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CC34CC4)C2)c1 ZINC000877597200 590371041 /nfs/dbraw/zinc/37/10/41/590371041.db2.gz CZWQYRXKLSDLDK-AMUVOQDHSA-N 1 0 248.286 1.637 20 5 BDBDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1[N+](=O)[O-] ZINC000880420569 591028437 /nfs/dbraw/zinc/02/84/37/591028437.db2.gz JPNKDCQRCLYXFS-AAEUAGOBSA-N 1 0 248.282 1.470 20 5 BDBDRO C[NH2+][C@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000129123621 591259063 /nfs/dbraw/zinc/25/90/63/591259063.db2.gz KRJCKTVPVUYLDR-JTQLQIEISA-N 1 0 235.287 1.701 20 5 BDBDRO CCC([NH3+])(CC)CNc1ncccc1[N+](=O)[O-] ZINC000130063879 591434335 /nfs/dbraw/zinc/43/43/35/591434335.db2.gz QGGCPXPYPJUGRI-UHFFFAOYSA-N 1 0 238.291 1.919 20 5 BDBDRO Cc1cc(-c2nc(CC[NH3+])no2)cc([N+](=O)[O-])c1 ZINC000137135544 592154108 /nfs/dbraw/zinc/15/41/08/592154108.db2.gz BRMZMANHDWGBBQ-UHFFFAOYSA-N 1 0 248.242 1.454 20 5 BDBDRO CC(C)(C)[C@H]1CSCC[N@@H+]1CC[N+](=O)[O-] ZINC000931591573 634607342 /nfs/dbraw/zinc/60/73/42/634607342.db2.gz CMSXMDDHXKVMIL-SECBINFHSA-N 1 0 232.349 1.727 20 5 BDBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H]2CO)c1 ZINC000934025219 631601174 /nfs/dbraw/zinc/60/11/74/631601174.db2.gz CGDLJPOCZCHUCO-LLVKDONJSA-N 1 0 222.244 1.161 20 5 BDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000310304470 632716851 /nfs/dbraw/zinc/71/68/51/632716851.db2.gz RHCDSHVBHWJAGV-MRVPVSSYSA-N 1 0 237.259 1.014 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH3+])CCC2)n1 ZINC000235913032 632849541 /nfs/dbraw/zinc/84/95/41/632849541.db2.gz STXQTJWWAOPFIR-UHFFFAOYSA-N 1 0 236.275 1.592 20 5 BDBDRO CO[C@@]1(C)C[C@@H]([NH2+]CC[N+](=O)[O-])C1(C)C ZINC000930626812 633954442 /nfs/dbraw/zinc/95/44/42/633954442.db2.gz AYSHVUPHWBPBIX-SCZZXKLOSA-N 1 0 216.281 1.056 20 5 BDBDRO NOCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000904456612 637415975 /nfs/dbraw/zinc/41/59/75/637415975.db2.gz JJSQKCXBHXWAKQ-UHFFFAOYSA-N 1 0 231.277 1.026 20 5 BDBDRO C[C@H](CCc1ccco1)[NH2+]CC[N+](=O)[O-] ZINC000905025734 637573561 /nfs/dbraw/zinc/57/35/61/637573561.db2.gz LSIGFVGEAHPGCE-SECBINFHSA-N 1 0 212.249 1.467 20 5 BDBDRO Cc1ccccc1C1(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905082377 637583291 /nfs/dbraw/zinc/58/32/91/637583291.db2.gz MTUXUQOZFTXSHY-UHFFFAOYSA-N 1 0 234.299 1.893 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1cccc2cccnc21 ZINC000905070309 637601947 /nfs/dbraw/zinc/60/19/47/637601947.db2.gz JMEUIHHBQADRGP-UHFFFAOYSA-N 1 0 231.255 1.601 20 5 BDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])Oc1ccccc1 ZINC000905116252 637620348 /nfs/dbraw/zinc/62/03/48/637620348.db2.gz BQQYFGKBRNWLLL-JTQLQIEISA-N 1 0 224.260 1.320 20 5 BDBDRO CC[C@@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905096428 637634283 /nfs/dbraw/zinc/63/42/83/637634283.db2.gz JEMNGDLKEAIMIX-LBPRGKRZSA-N 1 0 222.288 1.874 20 5 BDBDRO CC[C@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905096426 637634900 /nfs/dbraw/zinc/63/49/00/637634900.db2.gz JEMNGDLKEAIMIX-GFCCVEGCSA-N 1 0 222.288 1.874 20 5 BDBDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905127272 637642145 /nfs/dbraw/zinc/64/21/45/637642145.db2.gz JXZBNPLOMSZZRD-WDEREUQCSA-N 1 0 244.335 1.694 20 5 BDBDRO Cc1ccc(C[C@H](C)[NH2+]CC[N+](=O)[O-])s1 ZINC000905133288 637644591 /nfs/dbraw/zinc/64/45/91/637644591.db2.gz JKTLUDIFIKQIPP-QMMMGPOBSA-N 1 0 228.317 1.854 20 5 BDBDRO CCc1cnc(CC[NH2+]CC[N+](=O)[O-])s1 ZINC000905135340 637646752 /nfs/dbraw/zinc/64/67/52/637646752.db2.gz NGVUSCJBMGAZOS-UHFFFAOYSA-N 1 0 229.305 1.114 20 5 BDBDRO COC(C)(C)C[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905135312 637647358 /nfs/dbraw/zinc/64/73/58/637647358.db2.gz JXIMDTLVTDEUAH-QMMMGPOBSA-N 1 0 204.270 1.056 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCOCc1ccccc1 ZINC000905145972 637654416 /nfs/dbraw/zinc/65/44/16/637654416.db2.gz KXTIXYHFGGLHDG-UHFFFAOYSA-N 1 0 224.260 1.070 20 5 BDBDRO CCC(CC)[C@@H](CC[NH2+]CC[N+](=O)[O-])OC ZINC000905179145 637662912 /nfs/dbraw/zinc/66/29/12/637662912.db2.gz GWTNDEHGYGEPSX-LLVKDONJSA-N 1 0 232.324 1.694 20 5 BDBDRO CCOc1cccc(CC[NH2+]CC[N+](=O)[O-])c1 ZINC000905174150 637683322 /nfs/dbraw/zinc/68/33/22/637683322.db2.gz DVXVOSWUHYELKH-UHFFFAOYSA-N 1 0 238.287 1.494 20 5 BDBDRO CC(C)OCCCC[NH2+]CC[N+](=O)[O-] ZINC000905204061 637695265 /nfs/dbraw/zinc/69/52/65/637695265.db2.gz NKHVJYRIGMMCJK-UHFFFAOYSA-N 1 0 204.270 1.058 20 5 BDBDRO C=Cc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905262481 637715928 /nfs/dbraw/zinc/71/59/28/637715928.db2.gz HIRKEOWJFXFTEO-UHFFFAOYSA-N 1 0 220.272 1.738 20 5 BDBDRO CCOC1(C[NH2+]CC[N+](=O)[O-])CCCC1 ZINC000905266680 637719095 /nfs/dbraw/zinc/71/90/95/637719095.db2.gz FXQAVZXZKTZELL-UHFFFAOYSA-N 1 0 216.281 1.202 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCCC1(F)F ZINC000905273426 637732292 /nfs/dbraw/zinc/73/22/92/637732292.db2.gz MWLKKMVTWQPCAT-QMMMGPOBSA-N 1 0 222.235 1.678 20 5 BDBDRO CC(C)=CCC[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905273801 637732304 /nfs/dbraw/zinc/73/23/04/637732304.db2.gz NNMWAACWZWQPNM-JTQLQIEISA-N 1 0 200.282 1.988 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1ccccn1 ZINC000905275912 637733872 /nfs/dbraw/zinc/73/38/72/637733872.db2.gz ZHTMQFNVEYEZGA-UHFFFAOYSA-N 1 0 223.276 1.226 20 5 BDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])C1CCCC1 ZINC000905278348 637735272 /nfs/dbraw/zinc/73/52/72/637735272.db2.gz CCQYHNRLYYUOEF-JTQLQIEISA-N 1 0 200.282 1.822 20 5 BDBDRO Cc1cc(C[NH2+]CC[N+](=O)[O-])cc(C)n1 ZINC000905290305 637741539 /nfs/dbraw/zinc/74/15/39/637741539.db2.gz VGFJVQJGWQKLEE-UHFFFAOYSA-N 1 0 209.249 1.065 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000905340912 637782662 /nfs/dbraw/zinc/78/26/62/637782662.db2.gz JTDJYJKVRHLLQV-JTQLQIEISA-N 1 0 244.678 1.240 20 5 BDBDRO CCC(CC)(CCO)C[NH2+]CC[N+](=O)[O-] ZINC000905362939 637788129 /nfs/dbraw/zinc/78/81/29/637788129.db2.gz BXFZFWSNEBJUIO-UHFFFAOYSA-N 1 0 218.297 1.042 20 5 BDBDRO C[C@H](CCO)C1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905366303 637789497 /nfs/dbraw/zinc/78/94/97/637789497.db2.gz NICOVBIFCJKYMR-SNVBAGLBSA-N 1 0 230.308 1.042 20 5 BDBDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]CC[N+](=O)[O-] ZINC000905368039 637789606 /nfs/dbraw/zinc/78/96/06/637789606.db2.gz XWMXGWFMNZZFMQ-RKDXNWHRSA-N 1 0 244.316 1.426 20 5 BDBDRO CO[C@@H](C[NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000905379262 637793064 /nfs/dbraw/zinc/79/30/64/637793064.db2.gz BRUHFRFZCJSOIM-NSHDSACASA-N 1 0 230.308 1.448 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC[C@@H]1CCCC1(F)F ZINC000905422277 637807130 /nfs/dbraw/zinc/80/71/30/637807130.db2.gz GNZVISYAKFRVQO-QMMMGPOBSA-N 1 0 222.235 1.678 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000905623055 637859555 /nfs/dbraw/zinc/85/95/55/637859555.db2.gz HHRQTMYNKVGPJM-JTQLQIEISA-N 1 0 228.292 1.345 20 5 BDBDRO CC1(C)C[C@@H](C[NH2+]CC[N+](=O)[O-])C(C)(C)O1 ZINC000905621102 637860635 /nfs/dbraw/zinc/86/06/35/637860635.db2.gz ZQCYQYUOJXONLJ-VIFPVBQESA-N 1 0 230.308 1.446 20 5 BDBDRO CC1(C)CC[C@H](CC[NH2+]CC[N+](=O)[O-])OC1 ZINC000905643267 637880824 /nfs/dbraw/zinc/88/08/24/637880824.db2.gz LFOHEXZXHZYQTE-SNVBAGLBSA-N 1 0 230.308 1.448 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000930331827 639713382 /nfs/dbraw/zinc/71/33/82/639713382.db2.gz ALWRETODTBUXOP-NSHDSACASA-N 1 0 240.690 1.674 20 5 BDBDRO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])C1(CO)CCC1 ZINC000930585161 639814305 /nfs/dbraw/zinc/81/43/05/639814305.db2.gz FAPSIDCIOBMAQL-JTQLQIEISA-N 1 0 230.308 1.040 20 5 BDBDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CC[N+](=O)[O-] ZINC000930702127 639868157 /nfs/dbraw/zinc/86/81/57/639868157.db2.gz JYISCSNCCDZHJG-JTQLQIEISA-N 1 0 240.278 1.965 20 5 BDBDRO C[C@H](C[N@H+](C)CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000930705264 639871578 /nfs/dbraw/zinc/87/15/78/639871578.db2.gz HKYZOVRUCDAFGF-SECBINFHSA-N 1 0 246.307 1.173 20 5 BDBDRO CN(CC[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000930745399 639891485 /nfs/dbraw/zinc/89/14/85/639891485.db2.gz XCBFQHSBXOLGBE-UHFFFAOYSA-N 1 0 229.324 1.069 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000930813614 639916071 /nfs/dbraw/zinc/91/60/71/639916071.db2.gz AQVUHWIJWKLAOJ-LLVKDONJSA-N 1 0 221.260 1.148 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC(C2CCC2)CC1 ZINC000930963044 640001571 /nfs/dbraw/zinc/00/15/71/640001571.db2.gz RKVINAUPVCQAPH-UHFFFAOYSA-N 1 0 212.293 1.775 20 5 BDBDRO CC[NH2+]CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000044286838 640171550 /nfs/dbraw/zinc/17/15/50/640171550.db2.gz CBKBRXLGPOZITL-UHFFFAOYSA-N 1 0 237.259 1.451 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC(CCF)CC1 ZINC000931463040 640223023 /nfs/dbraw/zinc/22/30/23/640223023.db2.gz APEMEDQYNREYEK-UHFFFAOYSA-N 1 0 204.245 1.335 20 5 BDBDRO CC[C@@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000931767429 640359076 /nfs/dbraw/zinc/35/90/76/640359076.db2.gz QJVJLYHEKDOMFF-QMMMGPOBSA-N 1 0 242.250 1.594 20 5 BDBDRO [NH3+]CCc1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000225416564 640693377 /nfs/dbraw/zinc/69/33/77/640693377.db2.gz WIBOMQPTJPECBC-UHFFFAOYSA-N 1 0 240.244 1.208 20 5 BDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@H](C)C[NH2+]1 ZINC000086471298 644466338 /nfs/dbraw/zinc/46/63/38/644466338.db2.gz XLDHWURQCDIMMW-RKDXNWHRSA-N 1 0 236.275 1.176 20 5 BDBDRO CC(C)CCOC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929278646 646057257 /nfs/dbraw/zinc/05/72/57/646057257.db2.gz KBGDYRZOFLRIHN-UHFFFAOYSA-N 1 0 244.335 1.790 20 5 BDBDRO CC(C)C[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929426340 646118302 /nfs/dbraw/zinc/11/83/02/646118302.db2.gz VYEGTGNYAGLCEY-JTQLQIEISA-N 1 0 200.282 1.774 20 5 BDBDRO O=[N+]([O-])CCN1CCCc2sccc2C1 ZINC000929601050 646194151 /nfs/dbraw/zinc/19/41/51/646194151.db2.gz QQDQFXKCMYMCRG-UHFFFAOYSA-N 1 0 226.301 1.773 20 5 BDBDRO CO[C@]1(C)C[C@H]([N@H+](C)CC[N+](=O)[O-])C1(C)C ZINC000929758202 646290500 /nfs/dbraw/zinc/29/05/00/646290500.db2.gz XPHCEIRBPYKZPS-GXSJLCMTSA-N 1 0 230.308 1.399 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC(OCC2CC2)CC1 ZINC000929758368 646291010 /nfs/dbraw/zinc/29/10/10/646291010.db2.gz JBRBNJYROXEVAD-UHFFFAOYSA-N 1 0 228.292 1.154 20 5 BDBDRO CC[NH+](CC)CCN(CC[N+](=O)[O-])CC(C)C ZINC000929819872 646337392 /nfs/dbraw/zinc/33/73/92/646337392.db2.gz XURDEJFYMMRWPE-UHFFFAOYSA-N 1 0 245.367 1.563 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000791053538 712421803 /nfs/dbraw/zinc/42/18/03/712421803.db2.gz TWOOJHMOLGDKMI-ZJUUUORDSA-N 1 0 230.333 1.623 20 5 BDBDRO C[C@H]1CCC[C@](CNCC[N+](=O)[O-])([NH+](C)C)C1 ZINC000899872620 711803865 /nfs/dbraw/zinc/80/38/65/711803865.db2.gz CQADIYSSFBXOQZ-RYUDHWBXSA-N 1 0 243.351 1.363 20 5 BDBDRO C[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000712532953 712442325 /nfs/dbraw/zinc/44/23/25/712442325.db2.gz YLAFRACREBGCEI-ZWNOBZJWSA-N 1 0 249.314 1.950 20 5 BDBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@@H+]1C ZINC000719570968 712810702 /nfs/dbraw/zinc/81/07/02/712810702.db2.gz FJOJTNOCKDIULW-WCBMZHEXSA-N 1 0 236.275 1.494 20 5 BDBDRO CC1(C)CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000720820038 712868127 /nfs/dbraw/zinc/86/81/27/712868127.db2.gz SGFOOINFLSJOAZ-LBPRGKRZSA-N 1 0 249.314 1.764 20 5 BDBDRO N=C(Nc1cc([N+](=O)[O-])ccn1)SCC[NH3+] ZINC001157128137 963537288 /nfs/dbraw/zinc/53/72/88/963537288.db2.gz CGDKCUMRRIEUMM-UHFFFAOYSA-N 1 0 241.276 1.028 20 5 BDBDRO C[N+](C)(C)CCO[C@@H]1CCn2ccnc21 ZINC001224771756 964935442 /nfs/dbraw/zinc/93/54/42/964935442.db2.gz RSPUCSKPRMFUKQ-SNVBAGLBSA-N 1 0 210.301 1.051 20 5 BDBDRO CN1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168956575 969306740 /nfs/dbraw/zinc/30/67/40/969306740.db2.gz BQWDCSCFJAMJOW-ZYHUDNBSSA-N 1 0 241.335 1.116 20 5 BDBDRO CCCC[C@H](CO)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168971419 969322812 /nfs/dbraw/zinc/32/28/12/969322812.db2.gz KMNWZJXVKTVYTE-GRYCIOLGSA-N 1 0 244.335 1.573 20 5 BDBDRO CCC[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006807 969328501 /nfs/dbraw/zinc/32/85/01/969328501.db2.gz JISDTJIWQWBAQY-UWVGGRQHSA-N 1 0 200.282 1.774 20 5 BDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006282 969331389 /nfs/dbraw/zinc/33/13/89/969331389.db2.gz GONVSUYTUKXCLB-NOOOWODRSA-N 1 0 242.319 1.135 20 5 BDBDRO O=[N+]([O-])c1cccnc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000020565798 970870194 /nfs/dbraw/zinc/87/01/94/970870194.db2.gz BWCWQHHNGCGAPE-SNVBAGLBSA-N 1 0 248.286 1.496 20 5 BDBDRO C[N+](C)(C)CCCO[C@H]1CCc2nccn2C1 ZINC001224621236 973802534 /nfs/dbraw/zinc/80/25/34/973802534.db2.gz OXTVSMVAWRNXJV-LBPRGKRZSA-N 1 0 238.355 1.311 20 5 BDBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1C[NH2+][C@H]1C ZINC001218384439 971763501 /nfs/dbraw/zinc/76/35/01/971763501.db2.gz DFTSSBHZLXPPRC-JOYOIKCWSA-N 1 0 236.271 1.951 20 5 BDBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1C[NH2+][C@H]1C ZINC001218391986 971769762 /nfs/dbraw/zinc/76/97/62/971769762.db2.gz NSWJOKKZXGRYRK-CABZTGNLSA-N 1 0 236.271 1.951 20 5 BDBDRO COc1cc([N+](=O)[O-])cnc1NCC[C@@H](C)[NH3+] ZINC001170887294 972036914 /nfs/dbraw/zinc/03/69/14/972036914.db2.gz QWHJRQUNUOHLRV-SSDOTTSWSA-N 1 0 240.263 1.148 20 5 BDBDRO C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CN1 ZINC001246085655 972141319 /nfs/dbraw/zinc/14/13/19/972141319.db2.gz RIYGNXKNVFCAAZ-YFKTTZPYSA-N 1 0 241.335 1.162 20 5 BDBDRO Cc1cc(N[C@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000092026903 958523656 /nfs/dbraw/zinc/52/36/56/958523656.db2.gz PHARRWKRDLIDBF-VIFPVBQESA-N 1 0 236.275 1.414 20 5 BDBDRO [NH3+][C@H]1CCC[C@H](Nc2cccc([N+](=O)[O-])n2)C1 ZINC001154975133 962928999 /nfs/dbraw/zinc/92/89/99/962928999.db2.gz HAVWYFXHRZHJFI-IUCAKERBSA-N 1 0 236.275 1.672 20 5 BDBDRO C[C@H](C[NH+](C)C)Nc1cccc([N+](=O)[O-])n1 ZINC001155914299 963200950 /nfs/dbraw/zinc/20/09/50/963200950.db2.gz IEUUUJVIBDVYJL-MRVPVSSYSA-N 1 0 224.264 1.352 20 5 BDBDRO [NH3+][C@H]1CCN(c2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001156223858 963284872 /nfs/dbraw/zinc/28/48/72/963284872.db2.gz CRMZVYKITIMJDW-LURJTMIESA-N 1 0 242.666 1.181 20 5 BDBDRO CCC1(Nc2cccc([N+](=O)[O-])n2)C[NH2+]C1 ZINC001157779259 963723223 /nfs/dbraw/zinc/72/32/23/963723223.db2.gz NDLITPXHCCZCNL-UHFFFAOYSA-N 1 0 222.248 1.154 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)nc1 ZINC001168227998 964010893 /nfs/dbraw/zinc/01/08/93/964010893.db2.gz KZACBFJTGSEPJX-BDAKNGLRSA-N 1 0 240.238 1.102 20 5 BDBDRO Cc1cnc(N[C@H]2C[C@@](C)([NH3+])C2)c([N+](=O)[O-])c1 ZINC001162324678 964931137 /nfs/dbraw/zinc/93/11/37/964931137.db2.gz 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975262371 /nfs/dbraw/zinc/26/23/71/975262371.db2.gz PYCYPYQEZXYGMQ-UHFFFAOYSA-N 1 0 206.245 1.542 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC001332835383 975290958 /nfs/dbraw/zinc/29/09/58/975290958.db2.gz LPSQCDDVDYKZIU-LLVKDONJSA-N 1 0 221.260 1.399 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cccccc1=O ZINC001227422056 975395491 /nfs/dbraw/zinc/39/54/91/975395491.db2.gz UMGSJJOKEASACR-LLVKDONJSA-N 1 0 222.308 1.520 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cnccc1[N+](=O)[O-] ZINC001228882454 976546745 /nfs/dbraw/zinc/54/67/45/976546745.db2.gz OOGKLSHVEJKTGJ-VIFPVBQESA-N 1 0 240.283 1.463 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1nc2cccnc2o1 ZINC001230349879 977186720 /nfs/dbraw/zinc/18/67/20/977186720.db2.gz BHTGCGICQUEKRM-SECBINFHSA-N 1 0 236.295 1.696 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(N2CC=CC2)c1 ZINC001336710907 977875702 /nfs/dbraw/zinc/87/57/02/977875702.db2.gz SRHLJYVPYFOYDW-UHFFFAOYSA-N 1 0 247.298 1.429 20 5 BDBDRO CCn1c(C)nnc1O[C@H](C)C[N+](C)(C)C ZINC001234093727 978773116 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Cc1nc(N[C@H]2C[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001579866524 986288243 /nfs/dbraw/zinc/28/82/43/986288243.db2.gz FBCQPMHEOVOCEX-OCAPTIKFSA-N 1 0 222.248 1.200 20 5 BDBDRO C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CN1 ZINC001246085643 987384292 /nfs/dbraw/zinc/38/42/92/987384292.db2.gz RIYGNXKNVFCAAZ-BJDJZHNGSA-N 1 0 241.335 1.162 20 5 BDBDRO C[C@@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)C1 ZINC001120354449 989628618 /nfs/dbraw/zinc/62/86/18/989628618.db2.gz FSLZCYUWKARATI-UTLUCORTSA-N 1 0 200.282 1.677 20 5 BDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[NH3+] ZINC001573311117 992600678 /nfs/dbraw/zinc/60/06/78/992600678.db2.gz XRBLBYJCPIXEBU-JXMROGBWSA-N 1 0 235.287 1.546 20 5 BDBDRO CCOC(=O)C[C@](C)([NH2+]CC[N+](=O)[O-])C(C)C ZINC001262263199 992825322 /nfs/dbraw/zinc/82/53/22/992825322.db2.gz IPXSZHGWSUFWRN-NSHDSACASA-N 1 0 246.307 1.221 20 5 BDBDRO CCO[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C1(CC)CC ZINC001262262450 992825875 /nfs/dbraw/zinc/82/58/75/992825875.db2.gz OMELLJHGCQDTRC-QWRGUYRKSA-N 1 0 244.335 1.837 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC([NH+](C)C)C1 ZINC000302027357 178274602 /nfs/dbraw/zinc/27/46/02/178274602.db2.gz QTJPRYOVTSTGMG-UHFFFAOYSA-N 1 0 236.275 1.048 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCO ZINC000281754220 178271520 /nfs/dbraw/zinc/27/15/20/178271520.db2.gz KWAGVUMIPCEDOU-UHFFFAOYSA-N 1 0 238.287 1.717 20 5 BDBDRO C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602466147 349538649 /nfs/dbraw/zinc/53/86/49/349538649.db2.gz AFTPKUVZWUJCAH-MRVPVSSYSA-N 1 0 224.264 1.313 20 5 BDBDRO Cc1cc(N2CC[C@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000310208479 229492075 /nfs/dbraw/zinc/49/20/75/229492075.db2.gz CZKNMEWIOCEFFU-QMMMGPOBSA-N 1 0 239.250 1.580 20 5 BDBDRO Cc1cccc(OCC2C[NH2+]C2)c1[N+](=O)[O-] ZINC000304471160 342839001 /nfs/dbraw/zinc/83/90/01/342839001.db2.gz NIHHIROUKDFUTD-UHFFFAOYSA-N 1 0 222.244 1.501 20 5 BDBDRO C[N@@H+]1CC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134584972 342871153 /nfs/dbraw/zinc/87/11/53/342871153.db2.gz NPNCKEKAGPRCAY-SECBINFHSA-N 1 0 236.275 1.353 20 5 BDBDRO CC[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020195884 398316015 /nfs/dbraw/zinc/31/60/15/398316015.db2.gz ZDOLXRIAUNTRCY-JTQLQIEISA-N 1 0 224.260 1.455 20 5 BDBDRO C[C@H]([NH2+]CCCO)c1cccc([N+](=O)[O-])c1 ZINC000020188636 398316072 /nfs/dbraw/zinc/31/60/72/398316072.db2.gz XZHFRVODOVMDOU-VIFPVBQESA-N 1 0 224.260 1.628 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCC2)cc1 ZINC000133144783 398322722 /nfs/dbraw/zinc/32/27/22/398322722.db2.gz JYPUADKJFZNFCQ-UHFFFAOYSA-N 1 0 236.271 1.599 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCCO)cc1 ZINC000043445594 343071402 /nfs/dbraw/zinc/07/14/02/343071402.db2.gz HGQVBBKYYRRORD-UHFFFAOYSA-N 1 0 238.287 1.499 20 5 BDBDRO CC[NH2+]CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000088036525 136284030 /nfs/dbraw/zinc/28/40/30/136284030.db2.gz HOFNYEPAIIUUQR-UHFFFAOYSA-N 1 0 224.264 1.320 20 5 BDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CC2CC2)cc1 ZINC000038079325 343420362 /nfs/dbraw/zinc/42/03/62/343420362.db2.gz MOYDIPPGNMWPMY-UHFFFAOYSA-N 1 0 236.271 1.973 20 5 BDBDRO CN(CC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000221037974 344663462 /nfs/dbraw/zinc/66/34/62/344663462.db2.gz JYFHOEULTGGASW-UHFFFAOYSA-N 1 0 237.303 1.588 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000044411768 345058900 /nfs/dbraw/zinc/05/89/00/345058900.db2.gz DSHXXWCDRQAAOL-SECBINFHSA-N 1 0 248.286 1.638 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@@H](CO)C2)c1 ZINC000601140337 346344798 /nfs/dbraw/zinc/34/47/98/346344798.db2.gz UJJHJPMIPRXTTC-PHIMTYICSA-N 1 0 236.271 1.455 20 5 BDBDRO Cc1cccc(O[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000051783883 179175533 /nfs/dbraw/zinc/17/55/33/179175533.db2.gz PBKGGMHDRDYAEI-VIFPVBQESA-N 1 0 222.244 1.644 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[NH2+]C1 ZINC000125756222 179206886 /nfs/dbraw/zinc/20/68/86/179206886.db2.gz XGQWLZGINJEUFM-VIFPVBQESA-N 1 0 221.260 1.677 20 5 BDBDRO Cc1c([C@H](C)NC[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000591580645 347677781 /nfs/dbraw/zinc/67/77/81/347677781.db2.gz DPHAHVJMJKYOAZ-SCZZXKLOSA-N 1 0 237.303 1.901 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C/C=C/CO ZINC000594974966 348162392 /nfs/dbraw/zinc/16/23/92/348162392.db2.gz PBCCGRZXPOFYRX-NSCUHMNNSA-N 1 0 236.271 1.541 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C/C=C/CO ZINC000594975810 348163458 /nfs/dbraw/zinc/16/34/58/348163458.db2.gz UYHCBLYKRQCVEA-ONEGZZNKSA-N 1 0 222.244 1.233 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1 ZINC000594998957 348168679 /nfs/dbraw/zinc/16/86/79/348168679.db2.gz MSWFYKZOMFLMRD-HOMQSWHASA-N 1 0 222.244 1.208 20 5 BDBDRO C[C@H]([NH2+]C/C=C\CO)c1cccc([N+](=O)[O-])c1 ZINC000595073206 348188565 /nfs/dbraw/zinc/18/85/65/348188565.db2.gz SZXGTYPUNLCOHV-ZMWSMAPVSA-N 1 0 236.271 1.794 20 5 BDBDRO [NH3+]CC12CC(C1)CN2Cc1ccc([N+](=O)[O-])cc1 ZINC000595908963 348398306 /nfs/dbraw/zinc/39/83/06/348398306.db2.gz KEYRVJFTMNIFFS-UHFFFAOYSA-N 1 0 247.298 1.518 20 5 BDBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000596428635 348530369 /nfs/dbraw/zinc/53/03/69/348530369.db2.gz FXXXRTGGYPBKSD-VIFPVBQESA-N 1 0 238.291 1.164 20 5 BDBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])cn2)CCC1 ZINC000598633407 349005304 /nfs/dbraw/zinc/00/53/04/349005304.db2.gz LWUJOSNLWXLUJM-UHFFFAOYSA-N 1 0 236.275 1.544 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1COC1 ZINC000599011826 349075966 /nfs/dbraw/zinc/07/59/66/349075966.db2.gz MRUDOCWOIMTTIQ-UHFFFAOYSA-N 1 0 222.244 1.331 20 5 BDBDRO Cc1cn(CC[C@H]2CC[NH2+]C2)nc1[N+](=O)[O-] ZINC000396653720 349377372 /nfs/dbraw/zinc/37/73/72/349377372.db2.gz PDUXXIIUVAEGSD-SECBINFHSA-N 1 0 224.264 1.099 20 5 BDBDRO C[C@H](O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000086013988 350857591 /nfs/dbraw/zinc/85/75/91/350857591.db2.gz LASFBDSMVBRUCV-JTQLQIEISA-N 1 0 238.287 1.498 20 5 BDBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000293292524 351013747 /nfs/dbraw/zinc/01/37/47/351013747.db2.gz DIZOOFCFXFLXGI-JTQLQIEISA-N 1 0 238.287 1.798 20 5 BDBDRO Cc1c(NC(=O)[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000035053897 351393837 /nfs/dbraw/zinc/39/38/37/351393837.db2.gz FRCJNFNWJNXDQW-SNVBAGLBSA-N 1 0 249.270 1.594 20 5 BDBDRO O=[N+]([O-])c1ccccc1OCC[C@@H]1CC[NH2+]C1 ZINC000122521977 363035471 /nfs/dbraw/zinc/03/54/71/363035471.db2.gz XAFUISDURJZDPH-JTQLQIEISA-N 1 0 236.271 1.973 20 5 BDBDRO C[NH2+][C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000128069997 187533353 /nfs/dbraw/zinc/53/33/53/187533353.db2.gz YCVPGZNHBRPBAN-LLVKDONJSA-N 1 0 235.287 1.389 20 5 BDBDRO O=[N+]([O-])c1ncccc1OCC1CC[NH2+]CC1 ZINC000582179236 355625186 /nfs/dbraw/zinc/62/51/86/355625186.db2.gz RCWVNORFVVNBIA-UHFFFAOYSA-N 1 0 237.259 1.368 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000053297688 356230154 /nfs/dbraw/zinc/23/01/54/356230154.db2.gz JZNFDLAPZMWWBF-JTQLQIEISA-N 1 0 248.286 1.638 20 5 BDBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])nc1 ZINC000450391544 202152271 /nfs/dbraw/zinc/15/22/71/202152271.db2.gz NGHKFQHIRJDJMH-UHFFFAOYSA-N 1 0 224.264 1.400 20 5 BDBDRO CC[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000172724518 134268864 /nfs/dbraw/zinc/26/88/64/134268864.db2.gz IUCLGZPQVSDZFV-SECBINFHSA-N 1 0 226.280 1.522 20 5 BDBDRO CN(c1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000085258433 134272716 /nfs/dbraw/zinc/27/27/16/134272716.db2.gz KTXXFLHKHXGMSK-UHFFFAOYSA-N 1 0 207.233 1.003 20 5 BDBDRO CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000079552107 359448793 /nfs/dbraw/zinc/44/87/93/359448793.db2.gz JCMWBXGARZPDML-UHFFFAOYSA-N 1 0 207.233 1.368 20 5 BDBDRO [NH3+]C1(C(=O)NCc2ccccc2[N+](=O)[O-])CCC1 ZINC000148207480 181327135 /nfs/dbraw/zinc/32/71/35/181327135.db2.gz FDAZJXSNZWZKOO-UHFFFAOYSA-N 1 0 249.270 1.092 20 5 BDBDRO [NH3+]CCCNCc1ccccc1[N+](=O)[O-] ZINC000037713442 181383982 /nfs/dbraw/zinc/38/39/82/181383982.db2.gz UPDUIQNQURQDHA-UHFFFAOYSA-N 1 0 209.249 1.033 20 5 BDBDRO [NH3+]C[C@@H]1CCCCN1c1ncc([N+](=O)[O-])s1 ZINC000226779464 181427600 /nfs/dbraw/zinc/42/76/00/181427600.db2.gz GUUWUZLEVINJPF-ZETCQYMHSA-N 1 0 242.304 1.369 20 5 BDBDRO C[C@H](O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000078781820 370600758 /nfs/dbraw/zinc/60/07/58/370600758.db2.gz COWMWPATCHFTPW-ZETCQYMHSA-N 1 0 230.289 1.517 20 5 BDBDRO CC[C@@H](O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000124354770 371186169 /nfs/dbraw/zinc/18/61/69/371186169.db2.gz IBPRRRRZRXXNHY-GFCCVEGCSA-N 1 0 238.287 1.845 20 5 BDBDRO [NH3+][C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000041027988 181645068 /nfs/dbraw/zinc/64/50/68/181645068.db2.gz NFBNGTUZWJWMJZ-VIFPVBQESA-N 1 0 241.316 1.579 20 5 BDBDRO CC[NH+](CC)CCNc1c([N+](=O)[O-])ncn1C ZINC000029161419 371724575 /nfs/dbraw/zinc/72/45/75/371724575.db2.gz QQIIDAYDCRZJIT-UHFFFAOYSA-N 1 0 241.295 1.082 20 5 BDBDRO Cc1ccc(CN[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000600680533 371696718 /nfs/dbraw/zinc/69/67/18/371696718.db2.gz BDPIGAUAYUWNTK-CMPLNLGQSA-N 1 0 249.314 1.743 20 5 BDBDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000601330405 371749336 /nfs/dbraw/zinc/74/93/36/371749336.db2.gz SUCJDYBOECYSHY-MWLCHTKSSA-N 1 0 235.287 1.516 20 5 BDBDRO Cn1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602714778 371832627 /nfs/dbraw/zinc/83/26/27/371832627.db2.gz WGEOBCWCKLQEOT-IUCAKERBSA-N 1 0 236.275 1.170 20 5 BDBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602473415 371809542 /nfs/dbraw/zinc/80/95/42/371809542.db2.gz QWFINZBFSMRSRS-DTWKUNHWSA-N 1 0 238.291 1.559 20 5 BDBDRO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC1CC1 ZINC000602470627 371810410 /nfs/dbraw/zinc/81/04/10/371810410.db2.gz ASKXPYTYGBILCV-UHFFFAOYSA-N 1 0 238.291 1.560 20 5 BDBDRO Cn1cc(CN2CC=CCC2)c([N+](=O)[O-])n1 ZINC000602588220 371822882 /nfs/dbraw/zinc/82/28/82/371822882.db2.gz MTAWOLAXFHXLNO-UHFFFAOYSA-N 1 0 222.248 1.090 20 5 BDBDRO CC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)COC1 ZINC000602738275 371836956 /nfs/dbraw/zinc/83/69/56/371836956.db2.gz DJIGULPPQCVYBW-UHFFFAOYSA-N 1 0 236.271 1.516 20 5 BDBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602806099 371842883 /nfs/dbraw/zinc/84/28/83/371842883.db2.gz OXROWNZDOJGVRJ-DTWKUNHWSA-N 1 0 240.307 1.853 20 5 BDBDRO C[NH2+]CCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000041045850 374098277 /nfs/dbraw/zinc/09/82/77/374098277.db2.gz RWZQLHNCFQKHAN-UHFFFAOYSA-N 1 0 224.260 1.892 20 5 BDBDRO O=[N+]([O-])c1cc(F)cc(OC[C@@H]2CC[NH2+]C2)c1 ZINC000051888724 182923074 /nfs/dbraw/zinc/92/30/74/182923074.db2.gz JLYGKCAXVDGBML-MRVPVSSYSA-N 1 0 240.234 1.722 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCCCO ZINC000036387818 182949389 /nfs/dbraw/zinc/94/93/89/182949389.db2.gz ZJZIDMMKFLWMMW-UHFFFAOYSA-N 1 0 238.287 1.847 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132493378 182952490 /nfs/dbraw/zinc/95/24/90/182952490.db2.gz VPCXBZBMUGFUSI-ZJUUUORDSA-N 1 0 248.286 1.321 20 5 BDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000112675106 383936880 /nfs/dbraw/zinc/93/68/80/383936880.db2.gz FQLVURAILBRTAH-UHFFFAOYSA-N 1 0 238.287 1.798 20 5 BDBDRO [NH3+][C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000050227751 383976127 /nfs/dbraw/zinc/97/61/27/383976127.db2.gz QSZRYYRJYVORIT-JTQLQIEISA-N 1 0 221.260 1.128 20 5 BDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000050228817 383977568 /nfs/dbraw/zinc/97/75/68/383977568.db2.gz NOGUAGDHYGHOSS-SNVBAGLBSA-N 1 0 249.270 1.076 20 5 BDBDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000572823836 384170571 /nfs/dbraw/zinc/17/05/71/384170571.db2.gz ZVYDHRROFSCLBG-CMPLNLGQSA-N 1 0 236.271 1.862 20 5 BDBDRO Cc1ccc(C[NH2+]CCF)cc1[N+](=O)[O-] ZINC000336698546 384254372 /nfs/dbraw/zinc/25/43/72/384254372.db2.gz OOCPDRBBRWUMKR-UHFFFAOYSA-N 1 0 212.224 1.962 20 5 BDBDRO C[C@H](O)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000158668000 384275631 /nfs/dbraw/zinc/27/56/31/384275631.db2.gz RCKZUUGITVQSFD-JTQLQIEISA-N 1 0 238.287 1.798 20 5 BDBDRO C[C@H](C[NH3+])NCc1cccc([N+](=O)[O-])c1 ZINC000235455658 384406263 /nfs/dbraw/zinc/40/62/63/384406263.db2.gz HVQBORUZYIHZOB-MRVPVSSYSA-N 1 0 209.249 1.032 20 5 BDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC(C)(C)[NH3+])n1 ZINC000359107202 384375385 /nfs/dbraw/zinc/37/53/85/384375385.db2.gz ZFKUFBDRQBRCBY-UHFFFAOYSA-N 1 0 238.291 1.756 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC2)cc1 ZINC000070967473 384487248 /nfs/dbraw/zinc/48/72/48/384487248.db2.gz LBRPWUZIYWZXOE-JTQLQIEISA-N 1 0 222.244 1.473 20 5 BDBDRO CN1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000044386092 384655543 /nfs/dbraw/zinc/65/55/43/384655543.db2.gz PTGBDXQGAXATQP-LLVKDONJSA-N 1 0 235.287 1.389 20 5 BDBDRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000043327197 384766039 /nfs/dbraw/zinc/76/60/39/384766039.db2.gz ONXLDCQVQYDUAP-CMPLNLGQSA-N 1 0 249.314 1.997 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000071300355 384802533 /nfs/dbraw/zinc/80/25/33/384802533.db2.gz BKTOTBMRVRXDLF-GFCCVEGCSA-N 1 0 236.271 1.455 20 5 BDBDRO C[NH+](C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148452047 384890805 /nfs/dbraw/zinc/89/08/05/384890805.db2.gz BBXRXTYYZJTBFC-UHFFFAOYSA-N 1 0 244.682 1.617 20 5 BDBDRO C[N@H+](CCNc1ccncc1[N+](=O)[O-])C1CC1 ZINC000060374631 385051579 /nfs/dbraw/zinc/05/15/79/385051579.db2.gz HOWQFLFGUOLJST-UHFFFAOYSA-N 1 0 236.275 1.496 20 5 BDBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000127575219 385260345 /nfs/dbraw/zinc/26/03/45/385260345.db2.gz WEWBULMKKJWJOG-WPRPVWTQSA-N 1 0 238.287 1.935 20 5 BDBDRO CN(CC[NH3+])C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000210641361 385603552 /nfs/dbraw/zinc/60/35/52/385603552.db2.gz YPDKOIHJYQMQIU-SREVYHEPSA-N 1 0 249.270 1.025 20 5 BDBDRO C[NH+](C)C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000265004664 385840220 /nfs/dbraw/zinc/84/02/20/385840220.db2.gz VVRPEZROANKIRM-LLVKDONJSA-N 1 0 249.314 1.983 20 5 BDBDRO O=C(CC[NH+]1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000265041323 385897140 /nfs/dbraw/zinc/89/71/40/385897140.db2.gz NFXPHFRMIGXGSA-UHFFFAOYSA-N 1 0 249.270 1.629 20 5 BDBDRO C[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518796024 385903199 /nfs/dbraw/zinc/90/31/99/385903199.db2.gz NLWMUUUMRWQSPO-GZMMTYOYSA-N 1 0 236.271 1.553 20 5 BDBDRO CN(C)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000397954786 386088883 /nfs/dbraw/zinc/08/88/83/386088883.db2.gz DNVUTTBZOUBZKX-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO Cc1nn(CC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000571914949 386252798 /nfs/dbraw/zinc/25/27/98/386252798.db2.gz PRCOEJNQPPLVHS-JTQLQIEISA-N 1 0 238.291 1.489 20 5 BDBDRO C[C@@H](CCCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000087358927 386196765 /nfs/dbraw/zinc/19/67/65/386196765.db2.gz PJPPSEPJZXCQJE-QMMMGPOBSA-N 1 0 244.316 1.907 20 5 BDBDRO C[C@H]([NH3+])CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000063170132 386325159 /nfs/dbraw/zinc/32/51/59/386325159.db2.gz CKKUIRFDENYBOU-QMMMGPOBSA-N 1 0 237.259 1.062 20 5 BDBDRO CC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926304 386371521 /nfs/dbraw/zinc/37/15/21/386371521.db2.gz UYCMSXHNORCJJE-NSHDSACASA-N 1 0 224.260 1.455 20 5 BDBDRO C[NH2+][C@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000123242481 386548194 /nfs/dbraw/zinc/54/81/94/386548194.db2.gz DQCYAQLXYSABQO-PWSUYJOCSA-N 1 0 249.314 1.950 20 5 BDBDRO [NH3+]C[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000123377571 386552919 /nfs/dbraw/zinc/55/29/19/386552919.db2.gz AEOBAESQUMOEKR-LBPRGKRZSA-N 1 0 235.287 1.518 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCO)CCC2 ZINC000192613774 387226747 /nfs/dbraw/zinc/22/67/47/387226747.db2.gz YTCFCNCHLUEPKY-LBPRGKRZSA-N 1 0 236.271 1.554 20 5 BDBDRO C[C@H](CCCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000088503487 387289171 /nfs/dbraw/zinc/28/91/71/387289171.db2.gz CFQVZCVINIDZMJ-SNVBAGLBSA-N 1 0 238.287 1.845 20 5 BDBDRO C[C@@H](CCCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000088503486 387292388 /nfs/dbraw/zinc/29/23/88/387292388.db2.gz CFQVZCVINIDZMJ-JTQLQIEISA-N 1 0 238.287 1.845 20 5 BDBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295879746 387467102 /nfs/dbraw/zinc/46/71/02/387467102.db2.gz GWWVRBQFNHBBJX-PTOFAABTSA-N 1 0 236.271 1.769 20 5 BDBDRO [NH3+][C@@H](CNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414902537 387600269 /nfs/dbraw/zinc/60/02/69/387600269.db2.gz YOQGDUDSXBAUAY-NSHDSACASA-N 1 0 235.287 1.422 20 5 BDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000414922773 387607853 /nfs/dbraw/zinc/60/78/53/387607853.db2.gz GMRVULNVPWAWEE-MFKMUULPSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000228085742 387666447 /nfs/dbraw/zinc/66/64/47/387666447.db2.gz QRVHNDFWQMVKSX-NXEZZACHSA-N 1 0 238.287 1.844 20 5 BDBDRO CC(C)([NH3+])CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000132848669 388370640 /nfs/dbraw/zinc/37/06/40/388370640.db2.gz SGYUHSYKUQIEMR-UHFFFAOYSA-N 1 0 243.288 1.123 20 5 BDBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000133747919 388389148 /nfs/dbraw/zinc/38/91/48/388389148.db2.gz QTLJDUBJWNGNNQ-HTQZYQBOSA-N 1 0 237.259 1.517 20 5 BDBDRO [NH3+]CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000211265227 256677738 /nfs/dbraw/zinc/67/77/38/256677738.db2.gz ZLHGVULJCCUHGD-WAYWQWQTSA-N 1 0 249.270 1.073 20 5 BDBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000077422242 388675496 /nfs/dbraw/zinc/67/54/96/388675496.db2.gz NYNGESMSLLGVFA-NXEZZACHSA-N 1 0 238.287 1.701 20 5 BDBDRO C[C@@H]([NH3+])C[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000422930014 388686585 /nfs/dbraw/zinc/68/65/85/388686585.db2.gz ASIXYZDTEZOJLF-NXEZZACHSA-N 1 0 237.303 1.810 20 5 BDBDRO Cc1ccc(C[NH2+]CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000078780288 388685058 /nfs/dbraw/zinc/68/50/58/388685058.db2.gz UXWPZTIQSRZPPH-JTQLQIEISA-N 1 0 238.287 1.764 20 5 BDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000423217607 388687721 /nfs/dbraw/zinc/68/77/21/388687721.db2.gz SDQTUCXUHUUWOF-CMPLNLGQSA-N 1 0 249.314 1.477 20 5 BDBDRO Cc1c(CN[C@H]2CCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423084138 388688608 /nfs/dbraw/zinc/68/86/08/388688608.db2.gz ZVOJTDFYAXIOOH-NEPJUHHUSA-N 1 0 249.314 1.873 20 5 BDBDRO C[NH2+]CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423234991 388689282 /nfs/dbraw/zinc/68/92/82/388689282.db2.gz AFVDPPCYDSUHHX-JTQLQIEISA-N 1 0 237.303 1.335 20 5 BDBDRO C[C@H](CN)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423335451 388691564 /nfs/dbraw/zinc/69/15/64/388691564.db2.gz TUGSCZPNQREJFG-NXEZZACHSA-N 1 0 237.303 1.463 20 5 BDBDRO C[C@@H](NCC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423309083 388691855 /nfs/dbraw/zinc/69/18/55/388691855.db2.gz YUDGGIXDTYUOJC-SECBINFHSA-N 1 0 235.287 1.465 20 5 BDBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330802742 388761303 /nfs/dbraw/zinc/76/13/03/388761303.db2.gz BADYGGMKWRONSH-RKDXNWHRSA-N 1 0 240.307 1.853 20 5 BDBDRO C[N@H+](CCCO)CCc1cccc([N+](=O)[O-])c1 ZINC000282526659 388817198 /nfs/dbraw/zinc/81/71/98/388817198.db2.gz UOKZEOAOKPVGGS-UHFFFAOYSA-N 1 0 238.287 1.452 20 5 BDBDRO C[C@H]([NH2+]CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283919654 388825979 /nfs/dbraw/zinc/82/59/79/388825979.db2.gz DPFNZJDANZAEKW-QMMMGPOBSA-N 1 0 239.275 1.210 20 5 BDBDRO Cc1cnc(N2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000090691884 132236788 /nfs/dbraw/zinc/23/67/88/132236788.db2.gz XSOATDUXRMOTIE-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO Cc1cccc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000204500471 132333172 /nfs/dbraw/zinc/33/31/72/132333172.db2.gz RJJSUNBXZUYGOJ-UHFFFAOYSA-N 1 0 221.260 1.313 20 5 BDBDRO CN(Cc1csc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000085257342 134266926 /nfs/dbraw/zinc/26/69/26/134266926.db2.gz FMXYKCXHEDVTPF-UHFFFAOYSA-N 1 0 227.289 1.060 20 5 BDBDRO C[C@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])s1 ZINC000226775322 134369007 /nfs/dbraw/zinc/36/90/07/134369007.db2.gz KJXGPXVVUHQAKN-ZCFIWIBFSA-N 1 0 230.293 1.413 20 5 BDBDRO C[NH2+]C[C@H](C)CNc1ncc([N+](=O)[O-])s1 ZINC000226783117 134369136 /nfs/dbraw/zinc/36/91/36/134369136.db2.gz JZUKFIUWSMJZDX-LURJTMIESA-N 1 0 230.293 1.319 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH3+])C1 ZINC000257364355 135131682 /nfs/dbraw/zinc/13/16/82/135131682.db2.gz OOVQKXQTPRALES-MWLCHTKSSA-N 1 0 235.287 1.689 20 5 BDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000261544423 135185055 /nfs/dbraw/zinc/18/50/55/135185055.db2.gz XZVIENVVOOSYJQ-BXKDBHETSA-N 1 0 235.287 1.374 20 5 BDBDRO C[C@H]1[C@H]([NH3+])CCN1c1c(F)cccc1[N+](=O)[O-] ZINC000261557472 135198069 /nfs/dbraw/zinc/19/80/69/135198069.db2.gz RTPASTYECUJGID-IONNQARKSA-N 1 0 239.250 1.660 20 5 BDBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000261563504 135205190 /nfs/dbraw/zinc/20/51/90/135205190.db2.gz GXYVPQQSTPMVTF-JMJZKYOTSA-N 1 0 248.286 1.163 20 5 BDBDRO C[C@H]1[C@@H]([NH3+])CCN1c1ccccc1[N+](=O)[O-] ZINC000261563873 135206397 /nfs/dbraw/zinc/20/63/97/135206397.db2.gz CEBGSAGHMMVQPK-IUCAKERBSA-N 1 0 221.260 1.521 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261565617 135207668 /nfs/dbraw/zinc/20/76/68/135207668.db2.gz HVBMSSLURVKUSR-VHSXEESVSA-N 1 0 248.286 1.036 20 5 BDBDRO C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000261577849 135218902 /nfs/dbraw/zinc/21/89/02/135218902.db2.gz LLPACICQNAPHOL-DTWKUNHWSA-N 1 0 223.276 1.420 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000261578812 135219539 /nfs/dbraw/zinc/21/95/39/135219539.db2.gz PDJDPABVFXFYAP-KOLCDFICSA-N 1 0 248.286 1.178 20 5 BDBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]12 ZINC000261581890 135222681 /nfs/dbraw/zinc/22/26/81/135222681.db2.gz QWKFTJGDHQQFIS-LPEHRKFASA-N 1 0 248.286 1.163 20 5 BDBDRO Cc1cccc(N2CC[C@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC000261547840 135240838 /nfs/dbraw/zinc/24/08/38/135240838.db2.gz IRSMMEMFNMVZAS-UWVGGRQHSA-N 1 0 235.287 1.829 20 5 BDBDRO O=[N+]([O-])c1ccccc1CNC1=[NH+]CCCN1 ZINC000261759978 135250849 /nfs/dbraw/zinc/25/08/49/135250849.db2.gz LHTZXVFKOPCAOU-UHFFFAOYSA-N 1 0 234.259 1.034 20 5 BDBDRO C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000262038368 135275110 /nfs/dbraw/zinc/27/51/10/135275110.db2.gz HMSGLILNJTVUTI-NXEZZACHSA-N 1 0 235.287 1.607 20 5 BDBDRO CC[NH+](CC)CCCn1cc([N+](=O)[O-])cn1 ZINC000188293730 169776560 /nfs/dbraw/zinc/77/65/60/169776560.db2.gz UYJIOFJLGZBFMC-UHFFFAOYSA-N 1 0 226.280 1.523 20 5 BDBDRO CC(C)[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000266938578 167368978 /nfs/dbraw/zinc/36/89/78/167368978.db2.gz VWIMENCZSUISOT-SNVBAGLBSA-N 1 0 240.307 1.768 20 5 BDBDRO CC1=CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000280708146 168099358 /nfs/dbraw/zinc/09/93/58/168099358.db2.gz DEBFVRVGMIVOLI-UHFFFAOYSA-N 1 0 236.275 1.443 20 5 BDBDRO CC[NH2+]CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000054267255 170116809 /nfs/dbraw/zinc/11/68/09/170116809.db2.gz SZMXOUMYWNKBGL-UHFFFAOYSA-N 1 0 223.276 1.925 20 5 BDBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000183027714 170772550 /nfs/dbraw/zinc/77/25/50/170772550.db2.gz OWFCWSOENKIRDD-NXEZZACHSA-N 1 0 240.307 1.816 20 5 BDBDRO CC[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000096478387 171183870 /nfs/dbraw/zinc/18/38/70/171183870.db2.gz QEQQWDXFHPQGKF-GFCCVEGCSA-N 1 0 238.287 1.845 20 5 BDBDRO C[NH2+]C(C)(C)CNc1c([N+](=O)[O-])c(C)nn1C ZINC000269959821 173319291 /nfs/dbraw/zinc/31/92/91/173319291.db2.gz LKCKNRNXNZUETL-UHFFFAOYSA-N 1 0 241.295 1.047 20 5 BDBDRO C[NH2+]C[C@@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000133308015 173369445 /nfs/dbraw/zinc/36/94/45/173369445.db2.gz AOPQNJRPZPOVTO-VIFPVBQESA-N 1 0 236.275 1.178 20 5 BDBDRO COCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000021013976 174336168 /nfs/dbraw/zinc/33/61/68/174336168.db2.gz NVTDDFQMPGUPDV-UHFFFAOYSA-N 1 0 240.259 1.339 20 5 BDBDRO COCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525909 174339985 /nfs/dbraw/zinc/33/99/85/174339985.db2.gz YQZDLGJZNCNSBS-SECBINFHSA-N 1 0 224.260 1.892 20 5 BDBDRO COc1cccc(N2CC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000135050644 175275175 /nfs/dbraw/zinc/27/51/75/175275175.db2.gz CTAXLCGVNHAXAO-MRVPVSSYSA-N 1 0 237.259 1.141 20 5 BDBDRO C[C@@H]([NH3+])CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000063169969 175804883 /nfs/dbraw/zinc/80/48/83/175804883.db2.gz BQDZVQHXKHMOFJ-ZCFIWIBFSA-N 1 0 243.288 1.123 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000038086740 176026901 /nfs/dbraw/zinc/02/69/01/176026901.db2.gz AURLONIVMOVYTO-JTQLQIEISA-N 1 0 235.287 1.561 20 5 BDBDRO C[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176190475 176071401 /nfs/dbraw/zinc/07/14/01/176071401.db2.gz XQNWJXUHRGGQFA-SNVBAGLBSA-N 1 0 238.291 1.666 20 5 BDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc([N+](=O)[O-])c1 ZINC000125814033 176367721 /nfs/dbraw/zinc/36/77/21/176367721.db2.gz JMZIWLJKDCSXLF-PWSUYJOCSA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000340946942 176383437 /nfs/dbraw/zinc/38/34/37/176383437.db2.gz CQRPPWSOXVPCGZ-MWLCHTKSSA-N 1 0 236.271 1.550 20 5 BDBDRO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000088059103 177228390 /nfs/dbraw/zinc/22/83/90/177228390.db2.gz BAXIFVICKXFZGI-VIFPVBQESA-N 1 0 249.270 1.029 20 5 BDBDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000340946939 177337376 /nfs/dbraw/zinc/33/73/76/177337376.db2.gz CQRPPWSOXVPCGZ-GXSJLCMTSA-N 1 0 236.271 1.550 20 5 BDBDRO C[C@H]1[NH2+]CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000346684939 177396327 /nfs/dbraw/zinc/39/63/27/177396327.db2.gz SHDVWYXTYDFREZ-GHMZBOCLSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@H]1[NH2+]CCN(Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000346648870 177396724 /nfs/dbraw/zinc/39/67/24/177396724.db2.gz BNPKTWUBTAJNGX-GHMZBOCLSA-N 1 0 249.314 1.777 20 5 BDBDRO Cc1nc(N[C@H](C)C[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000570162626 323051545 /nfs/dbraw/zinc/05/15/45/323051545.db2.gz MSUGUIIYQZYYRF-NKWVEPMBSA-N 1 0 239.279 1.231 20 5 BDBDRO C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000396712700 323653493 /nfs/dbraw/zinc/65/34/93/323653493.db2.gz RQOVDMBRUNETKN-GXFFZTMASA-N 1 0 249.314 1.825 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)O ZINC000131173645 325123178 /nfs/dbraw/zinc/12/31/78/325123178.db2.gz DMXKFJXSNALMOW-UWVGGRQHSA-N 1 0 238.287 1.935 20 5 BDBDRO C[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000076409651 325344150 /nfs/dbraw/zinc/34/41/50/325344150.db2.gz AXJGCKASOUFIMD-UHFFFAOYSA-N 1 0 249.314 1.385 20 5 BDBDRO C[NH2+][C@@H](C)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000261580667 536344856 /nfs/dbraw/zinc/34/48/56/536344856.db2.gz NBMDINJKWNPUHT-QMMMGPOBSA-N 1 0 224.264 1.318 20 5 BDBDRO C[NH2+][C@@H](C)CNc1ncc([N+](=O)[O-])s1 ZINC000261528827 536345160 /nfs/dbraw/zinc/34/51/60/536345160.db2.gz OHXSYEQLUOPTER-YFKPBYRVSA-N 1 0 216.266 1.071 20 5 BDBDRO C[N@@H+]1C[C@@H]2CCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941707 583254997 /nfs/dbraw/zinc/25/49/97/583254997.db2.gz VORIBYADGCBUAV-GXFFZTMASA-N 1 0 247.298 1.735 20 5 BDBDRO CCCOc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899872170 584245365 /nfs/dbraw/zinc/24/53/65/584245365.db2.gz WUQWZGLRZWSQTB-UHFFFAOYSA-N 1 0 238.287 1.842 20 5 BDBDRO CC1(C)C[NH2+]C[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000903822076 584804102 /nfs/dbraw/zinc/80/41/02/584804102.db2.gz VZSRJAKHQZEJKN-LBPRGKRZSA-N 1 0 249.314 1.682 20 5 BDBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC[N+](=O)[O-] ZINC000787735324 585915012 /nfs/dbraw/zinc/91/50/12/585915012.db2.gz FRKATMBEXMJIOM-SSDOTTSWSA-N 1 0 240.225 1.926 20 5 BDBDRO NC(=[NH2+])NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000849079381 588452248 /nfs/dbraw/zinc/45/22/48/588452248.db2.gz LDSQFHOASACRRS-UHFFFAOYSA-N 1 0 247.258 1.102 20 5 BDBDRO CCC[C@H]([NH3+])c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642838 589386787 /nfs/dbraw/zinc/38/67/87/589386787.db2.gz XFEWGTWMFKOCBF-QMMMGPOBSA-N 1 0 241.295 1.133 20 5 BDBDRO C[C@@]([NH3+])(C(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000870855027 589691578 /nfs/dbraw/zinc/69/15/78/589691578.db2.gz UEPIEXBZGMFRNT-LBPRGKRZSA-N 1 0 249.270 1.047 20 5 BDBDRO C[C@]([NH3+])(C(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000870855026 589691807 /nfs/dbraw/zinc/69/18/07/589691807.db2.gz UEPIEXBZGMFRNT-GFCCVEGCSA-N 1 0 249.270 1.047 20 5 BDBDRO Cc1ccc(CN[C@@H]2CCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873251093 590008563 /nfs/dbraw/zinc/00/85/63/590008563.db2.gz IXMNQWRAECFAMI-NWDGAFQWSA-N 1 0 249.314 1.873 20 5 BDBDRO CC[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876888386 590254161 /nfs/dbraw/zinc/25/41/61/590254161.db2.gz RCDONKQZEVNGMZ-IDKOKCKLSA-N 1 0 238.291 1.883 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(F)CC2)c1 ZINC000880239692 590972307 /nfs/dbraw/zinc/97/23/07/590972307.db2.gz CMTDRIOSAWITKN-UHFFFAOYSA-N 1 0 242.254 1.225 20 5 BDBDRO Cc1noc(CN2CC[C@H](CF)C2)c1[N+](=O)[O-] ZINC000880300003 590995681 /nfs/dbraw/zinc/99/56/81/590995681.db2.gz OALOQMZLGZDJAT-MRVPVSSYSA-N 1 0 243.238 1.683 20 5 BDBDRO CC(C)[C@@H](CO)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886121171 592157970 /nfs/dbraw/zinc/15/79/70/592157970.db2.gz XARNZTANZGBYME-SNVBAGLBSA-N 1 0 239.275 1.096 20 5 BDBDRO Cc1c(CN2C[C@@H](C)[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000235371856 632029839 /nfs/dbraw/zinc/02/98/39/632029839.db2.gz UCAXGHOLFFDUCT-SKDRFNHKSA-N 1 0 249.314 1.682 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H](CCO)C1CCCCC1 ZINC000309601872 633209897 /nfs/dbraw/zinc/20/98/97/633209897.db2.gz WUSNMBQZZHYLFF-LLVKDONJSA-N 1 0 230.308 1.184 20 5 BDBDRO O=[N+]([O-])c1ccc(Cl)c(OCC2C[NH2+]C2)c1 ZINC000304473292 635942637 /nfs/dbraw/zinc/94/26/37/635942637.db2.gz NPUXHXAEDHRQPA-UHFFFAOYSA-N 1 0 242.662 1.846 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000053255004 634111124 /nfs/dbraw/zinc/11/11/24/634111124.db2.gz LXJRNSHYKIWPTA-MRVPVSSYSA-N 1 0 239.250 1.898 20 5 BDBDRO O=[N+]([O-])c1ccc(CCN[C@H]2CC[NH2+]C2)cc1 ZINC000094088136 635181868 /nfs/dbraw/zinc/18/18/68/635181868.db2.gz DHRRCBQOVDIEFF-NSHDSACASA-N 1 0 235.287 1.089 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000905033718 637554383 /nfs/dbraw/zinc/55/43/83/637554383.db2.gz FPNBTTBWWWOFLB-GFCCVEGCSA-N 1 0 249.314 1.379 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000905077323 637577368 /nfs/dbraw/zinc/57/73/68/637577368.db2.gz XGKCJRNTGJPODB-UHFFFAOYSA-N 1 0 219.244 1.534 20 5 BDBDRO Cc1cc(C)cc(OCC[NH2+]CC[N+](=O)[O-])c1 ZINC000905068090 637601099 /nfs/dbraw/zinc/60/10/99/637601099.db2.gz LIUYHYWBXMTKRB-UHFFFAOYSA-N 1 0 238.287 1.549 20 5 BDBDRO Cc1ccccc1OCCC[NH2+]CC[N+](=O)[O-] ZINC000905092410 637630963 /nfs/dbraw/zinc/63/09/63/637630963.db2.gz DKVSJTYMGMBHJD-UHFFFAOYSA-N 1 0 238.287 1.630 20 5 BDBDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905152369 637637563 /nfs/dbraw/zinc/63/75/63/637637563.db2.gz BWJOFKKLQHVVSN-GHMZBOCLSA-N 1 0 230.308 1.304 20 5 BDBDRO Cc1ccc([C@H](C)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905139846 637648020 /nfs/dbraw/zinc/64/80/20/637648020.db2.gz YQSGEYFJNNPEEI-LLVKDONJSA-N 1 0 222.288 1.965 20 5 BDBDRO C[C@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])CC1 ZINC000905231965 637691521 /nfs/dbraw/zinc/69/15/21/637691521.db2.gz VIVCVTRRJQIFOB-VHSXEESVSA-N 1 0 200.282 1.822 20 5 BDBDRO Cc1csc([C@H](C)C[NH2+]CC[N+](=O)[O-])n1 ZINC000905209679 637698244 /nfs/dbraw/zinc/69/82/44/637698244.db2.gz RUVQSBBYRQGKRW-SSDOTTSWSA-N 1 0 229.305 1.421 20 5 BDBDRO Cc1cc2cc(C[NH2+]CC[N+](=O)[O-])ccc2[nH]1 ZINC000905255395 637712827 /nfs/dbraw/zinc/71/28/27/637712827.db2.gz HIWMITDSAVFOQC-UHFFFAOYSA-N 1 0 233.271 1.843 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C(C1CCC1)C1CCC1 ZINC000905255098 637712941 /nfs/dbraw/zinc/71/29/41/637712941.db2.gz DNSAXHLWDDGKQB-UHFFFAOYSA-N 1 0 212.293 1.822 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC[C@H]1CCc2ccccc21 ZINC000905274343 637731860 /nfs/dbraw/zinc/73/18/60/637731860.db2.gz QLLVPGJKUPJGAZ-GFCCVEGCSA-N 1 0 234.299 1.973 20 5 BDBDRO CC(C)[C@H]1C[C@H](C[NH2+]CC[N+](=O)[O-])CCO1 ZINC000905277991 637735825 /nfs/dbraw/zinc/73/58/25/637735825.db2.gz DOPWSQDDBXXDCS-GHMZBOCLSA-N 1 0 230.308 1.304 20 5 BDBDRO C[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CCS1 ZINC000905608490 637853429 /nfs/dbraw/zinc/85/34/29/637853429.db2.gz MUYVLKFXKLFJRJ-YUMQZZPRSA-N 1 0 204.295 1.137 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000905731660 637900871 /nfs/dbraw/zinc/90/08/71/637900871.db2.gz OTTZDNAUCIUKQJ-BDAKNGLRSA-N 1 0 224.264 1.227 20 5 BDBDRO [NH3+][C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000906507985 638179123 /nfs/dbraw/zinc/17/91/23/638179123.db2.gz FUSVXRUJVCXYED-MGCOHNPYSA-N 1 0 221.260 1.174 20 5 BDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])C1CCOCC1 ZINC000930238849 639645849 /nfs/dbraw/zinc/64/58/49/639645849.db2.gz GDAJZLJKALMAKJ-SNVBAGLBSA-N 1 0 216.281 1.058 20 5 BDBDRO CCO[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C12CCCC2 ZINC000930435310 639752843 /nfs/dbraw/zinc/75/28/43/639752843.db2.gz LDKDWJVOEQNNNU-QWRGUYRKSA-N 1 0 242.319 1.591 20 5 BDBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930456515 639758658 /nfs/dbraw/zinc/75/86/58/639758658.db2.gz VDJABHDSXGKEJE-MNOVXSKESA-N 1 0 230.308 1.279 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000930516550 639794591 /nfs/dbraw/zinc/79/45/91/639794591.db2.gz MPSFOOKALRERTG-NSHDSACASA-N 1 0 221.260 1.148 20 5 BDBDRO C[C@]12CC[N@H+](CC[N+](=O)[O-])C[C@H]1C2(F)F ZINC000930539209 639805416 /nfs/dbraw/zinc/80/54/16/639805416.db2.gz HRVQFUDHFORVSK-SFYZADRCSA-N 1 0 220.219 1.240 20 5 BDBDRO CO[C@@](C)([C@@H](C)[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000930719218 639871690 /nfs/dbraw/zinc/87/16/90/639871690.db2.gz WJQSFGHWKCRBSH-SCZZXKLOSA-N 1 0 216.281 1.056 20 5 BDBDRO CC[N@H+](CC[N+](=O)[O-])C1CC(C)(C)C1 ZINC000930731246 639882123 /nfs/dbraw/zinc/88/21/23/639882123.db2.gz VLYVERFHUFHOIB-UHFFFAOYSA-N 1 0 200.282 1.774 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000930810001 639914111 /nfs/dbraw/zinc/91/41/11/639914111.db2.gz QDJHKYXOOQGZND-GFCCVEGCSA-N 1 0 235.287 1.538 20 5 BDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000930891203 639976150 /nfs/dbraw/zinc/97/61/50/639976150.db2.gz HERGUXDJMGWCLQ-UWVGGRQHSA-N 1 0 216.281 1.200 20 5 BDBDRO O=[N+]([O-])CC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000931077154 640058534 /nfs/dbraw/zinc/05/85/34/640058534.db2.gz PWEHEVKEMQTPDL-TXEJJXNPSA-N 1 0 240.303 1.156 20 5 BDBDRO CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071312048 643122951 /nfs/dbraw/zinc/12/29/51/643122951.db2.gz YJAGHCSSGVQUMJ-LBPRGKRZSA-N 1 0 249.314 1.779 20 5 BDBDRO C[C@@H]1[C@H](C)C[N@H+](Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000841689302 645224214 /nfs/dbraw/zinc/22/42/14/645224214.db2.gz IZPBMHDKBQAXRJ-BBBLOLIVSA-N 1 0 238.291 1.725 20 5 BDBDRO C[C@H]1CCC[C@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000899872422 711803806 /nfs/dbraw/zinc/80/38/06/711803806.db2.gz AWYDDFJMHRMADC-UWVGGRQHSA-N 1 0 200.282 1.679 20 5 BDBDRO CN1CC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000712581398 712433792 /nfs/dbraw/zinc/43/37/92/712433792.db2.gz ROUASYMCARQGAU-ZDUSSCGKSA-N 1 0 249.314 1.431 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@H+]1C ZINC000712618204 712438421 /nfs/dbraw/zinc/43/84/21/712438421.db2.gz VMJBLKDDPBKTKC-VIFPVBQESA-N 1 0 236.275 1.414 20 5 BDBDRO Cc1ccc(CN2C[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000714028687 712477253 /nfs/dbraw/zinc/47/72/53/712477253.db2.gz HPQGPWBCMOMWBG-ZYHUDNBSSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000719601977 712815711 /nfs/dbraw/zinc/81/57/11/712815711.db2.gz NZUILJXEYCAINX-GWCFXTLKSA-N 1 0 249.314 1.777 20 5 BDBDRO CC[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976030 969295820 /nfs/dbraw/zinc/29/58/20/969295820.db2.gz YKYGXIXWAMYZLR-AEJSXWLSSA-N 1 0 200.282 1.820 20 5 BDBDRO NC1=C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC=C1 ZINC001168984751 969301010 /nfs/dbraw/zinc/30/10/10/969301010.db2.gz AENHBQFHIVLGTN-ONGXEEELSA-N 1 0 223.276 1.104 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)C1 ZINC001168955475 969303194 /nfs/dbraw/zinc/30/31/94/969303194.db2.gz ANISGPZRLROULM-YFKTTZPYSA-N 1 0 242.319 1.325 20 5 BDBDRO CC1CC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168956188 969305573 /nfs/dbraw/zinc/30/55/73/969305573.db2.gz AGGOVLLSAPJRSF-WIFZPCQCSA-N 1 0 212.293 1.820 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(CO)CCC2)C1 ZINC001168965991 969318393 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O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC001169011296 969339983 /nfs/dbraw/zinc/33/99/83/969339983.db2.gz JOAVYPQIZYUIRB-WISYIIOYSA-N 1 0 240.303 1.010 20 5 BDBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169012484 969340062 /nfs/dbraw/zinc/34/00/62/969340062.db2.gz QNGUXXXVWGNDSO-WRWGMCAJSA-N 1 0 242.319 1.277 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC3(C2)CCCO3)C1 ZINC001169014452 969341196 /nfs/dbraw/zinc/34/11/96/969341196.db2.gz ZWQWHVYVCJOVTG-QWRGUYRKSA-N 1 0 240.303 1.297 20 5 BDBDRO Cc1cnc(C[NH3+])n1-c1cc(C)c([N+](=O)[O-])cn1 ZINC001169028969 969348897 /nfs/dbraw/zinc/34/88/97/969348897.db2.gz QAAXJNNQGCLVQS-UHFFFAOYSA-N 1 0 247.258 1.251 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+](C2CC2)C2COC2)C1 ZINC001169035738 969353985 /nfs/dbraw/zinc/35/39/85/969353985.db2.gz LMMPZQVQSASCHN-MWLCHTKSSA-N 1 0 240.303 1.295 20 5 BDBDRO C[N@H+](Cc1ccon1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037031 969355062 /nfs/dbraw/zinc/35/50/62/969355062.db2.gz HWWMDNNROVSVDN-KOLCDFICSA-N 1 0 239.275 1.552 20 5 BDBDRO C[N@H+]([C@@H]1CCOC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038124 969355531 /nfs/dbraw/zinc/35/55/31/969355531.db2.gz VVYCKIJGPQZIQC-OUAUKWLOSA-N 1 0 228.292 1.153 20 5 BDBDRO CC[N@H+](C1CN(C)C1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040999 969356436 /nfs/dbraw/zinc/35/64/36/969356436.db2.gz AIAFVYULUBMEHO-QWRGUYRKSA-N 1 0 241.335 1.068 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001169036617 969358015 /nfs/dbraw/zinc/35/80/15/969358015.db2.gz HAYYLLRBQLTWTB-HTFCKZLJSA-N 1 0 242.294 1.864 20 5 BDBDRO CSCC[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169048187 969364391 /nfs/dbraw/zinc/36/43/91/969364391.db2.gz SYTPPPUJWGYNKA-NXEZZACHSA-N 1 0 232.349 1.727 20 5 BDBDRO CCO[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047883 969366644 /nfs/dbraw/zinc/36/66/44/969366644.db2.gz SFNADFBKQBBIGB-QJPTWQEYSA-N 1 0 242.319 1.543 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H]2CO3)C1 ZINC001169053891 969372723 /nfs/dbraw/zinc/37/27/23/969372723.db2.gz JZCNXSPKJXRHOK-IRCOFANPSA-N 1 0 240.303 1.295 20 5 BDBDRO C[C@@H]([NH3+])c1ccn(-c2ccc([N+](=O)[O-])cn2)n1 ZINC001169229811 969504832 /nfs/dbraw/zinc/50/48/32/969504832.db2.gz ZIEFQIOHACXBAD-SSDOTTSWSA-N 1 0 233.231 1.195 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(-n2ccc([C@H](C)[NH3+])n2)n1 ZINC001169230733 969505447 /nfs/dbraw/zinc/50/54/47/969505447.db2.gz BDVVZBLAZUWOGP-QMMMGPOBSA-N 1 0 247.258 1.504 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCO)C2 ZINC001254567044 969740114 /nfs/dbraw/zinc/74/01/14/969740114.db2.gz MPUDCEMHHCMCIG-NSHDSACASA-N 1 0 236.271 1.034 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC1)C2 ZINC001254597842 969742930 /nfs/dbraw/zinc/74/29/30/969742930.db2.gz IAGXLSNCFVXRJK-LBPRGKRZSA-N 1 0 218.256 1.768 20 5 BDBDRO COc1cccc(-n2ccc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001169726282 969820328 /nfs/dbraw/zinc/82/03/28/969820328.db2.gz QDKJOEPVESWKJY-UHFFFAOYSA-N 1 0 247.254 1.853 20 5 BDBDRO Nc1c[nH+]cn1-c1ccc(O)c([N+](=O)[O-])c1 ZINC001210393505 969881293 /nfs/dbraw/zinc/88/12/93/969881293.db2.gz CNZGETYFLBWXFM-UHFFFAOYSA-N 1 0 220.188 1.068 20 5 BDBDRO Nc1c[nH+]cn1-c1c(F)ccc([N+](=O)[O-])c1F ZINC001215289184 970695674 /nfs/dbraw/zinc/69/56/74/970695674.db2.gz FWSDWXCIDOFBDD-UHFFFAOYSA-N 1 0 240.169 1.641 20 5 BDBDRO Cc1c(C)c(NC/C=C/C[NH3+])ncc1[N+](=O)[O-] ZINC001160982632 973235210 /nfs/dbraw/zinc/23/52/10/973235210.db2.gz GKDGGXXFMNRZNI-ONEGZZNKSA-N 1 0 236.275 1.533 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCC(=O)OC(C)(C)C ZINC001224671851 973845173 /nfs/dbraw/zinc/84/51/73/973845173.db2.gz OJJPVAKVVIRAHW-JTQLQIEISA-N 1 0 232.344 1.439 20 5 BDBDRO C[C@@H]1c2cnccc2C[C@@H]1OCC[N+](C)(C)C ZINC001224774266 973942562 /nfs/dbraw/zinc/94/25/62/973942562.db2.gz PVXPJZPKWBGAGO-RISCZKNCSA-N 1 0 235.351 1.833 20 5 BDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC001330601310 974350541 /nfs/dbraw/zinc/35/05/41/974350541.db2.gz LHBBXVOLFBDAFJ-UHFFFAOYSA-N 1 0 240.307 1.912 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2n[nH]nc21 ZINC001225991076 974753813 /nfs/dbraw/zinc/75/38/13/974753813.db2.gz SLJVZSQNYUBKEE-VIFPVBQESA-N 1 0 235.311 1.431 20 5 BDBDRO Cc1ccnc(O[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001226116209 974798538 /nfs/dbraw/zinc/79/85/38/974798538.db2.gz OOFUMDJKKHIDFK-SECBINFHSA-N 1 0 237.259 1.381 20 5 BDBDRO CCc1cc(O[C@H](C)C[N+](C)(C)C)nc(C)n1 ZINC001226678801 975020026 /nfs/dbraw/zinc/02/00/26/975020026.db2.gz FBYQEIHFZAONOF-SNVBAGLBSA-N 1 0 238.355 1.821 20 5 BDBDRO C[N@@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226762213 975063735 /nfs/dbraw/zinc/06/37/35/975063735.db2.gz AKIDHFYFHGJBEM-NSHDSACASA-N 1 0 222.244 1.678 20 5 BDBDRO C[C@H](C[NH+](C)C)Oc1cccc([N+](=O)[O-])c1 ZINC001226763028 975063995 /nfs/dbraw/zinc/06/39/95/975063995.db2.gz HDUWZHKLGAILJZ-SECBINFHSA-N 1 0 224.260 1.924 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc[nH]c(=S)n1 ZINC001226940429 975160714 /nfs/dbraw/zinc/16/07/14/975160714.db2.gz QYGUVKXVWZIVOV-QMMMGPOBSA-O 1 0 228.341 1.239 20 5 BDBDRO Cc1nc(O[C@@H](C)C[N+](C)(C)C)c(C)c(=O)[nH]1 ZINC001229690540 976948460 /nfs/dbraw/zinc/94/84/60/976948460.db2.gz PJGOTEQJIQEUOE-QMMMGPOBSA-O 1 0 240.327 1.273 20 5 BDBDRO COc1cc(O)cc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001230708432 977303656 /nfs/dbraw/zinc/30/36/56/977303656.db2.gz DIBROAZVNPRICU-JTQLQIEISA-O 1 0 240.323 1.874 20 5 BDBDRO CCC(O)(CC)C(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC001336048967 977458565 /nfs/dbraw/zinc/45/85/65/977458565.db2.gz NKWVZJITORXKKU-UHFFFAOYSA-N 1 0 232.324 1.430 20 5 BDBDRO CC[N@@H+]1CC[C@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233856740 978714921 /nfs/dbraw/zinc/71/49/21/978714921.db2.gz FNWGHCQCJDBTKP-JTQLQIEISA-N 1 0 237.259 1.463 20 5 BDBDRO Cc1cccc(C(=O)N[C@H]2C[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001342170990 979688489 /nfs/dbraw/zinc/68/84/89/979688489.db2.gz RUYFPNFSGPKRBJ-KYZUINATSA-N 1 0 249.270 1.123 20 5 BDBDRO Cc1cc(NC(=O)[C@H](C)C[NH3+])cc([N+](=O)[O-])c1 ZINC001342243806 979728569 /nfs/dbraw/zinc/72/85/69/979728569.db2.gz SSJJRAOZLKDZLI-MRVPVSSYSA-N 1 0 237.259 1.437 20 5 BDBDRO C[C@H](Cc1cccs1)[N@H+](C)CC[N+](=O)[O-] ZINC001191464041 981051706 /nfs/dbraw/zinc/05/17/06/981051706.db2.gz JHBUTAMUMFAAPM-SECBINFHSA-N 1 0 228.317 1.888 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1-n1ccnc1CC[NH3+] ZINC000158971740 981589142 /nfs/dbraw/zinc/58/91/42/981589142.db2.gz UVMSYVAYMLRALB-UHFFFAOYSA-N 1 0 246.270 1.590 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCC(C)(C)CO ZINC001205802463 982538309 /nfs/dbraw/zinc/53/83/09/982538309.db2.gz OMZONLUEPBPKBN-SNVBAGLBSA-N 1 0 204.334 1.116 20 5 BDBDRO C[C@@H](CC(F)(F)F)[NH2+]CC[N+](=O)[O-] ZINC001353309605 982832176 /nfs/dbraw/zinc/83/21/76/982832176.db2.gz GQXSMRXMVANEKO-YFKPBYRVSA-N 1 0 200.160 1.194 20 5 BDBDRO Cn1cc[nH+]c1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199802549 983019393 /nfs/dbraw/zinc/01/93/93/983019393.db2.gz UUOBCBOKFGJRDW-UHFFFAOYSA-N 1 0 234.215 1.778 20 5 BDBDRO CCCCO[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C1(C)C ZINC000930441655 984956321 /nfs/dbraw/zinc/95/63/21/984956321.db2.gz NWJRSVNCBAUSFY-GHMZBOCLSA-N 1 0 244.335 1.837 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1SC1C[NH2+]C1 ZINC001579642452 986168685 /nfs/dbraw/zinc/16/86/85/986168685.db2.gz GUAVDJSUXUQHDI-UHFFFAOYSA-N 1 0 225.273 1.362 20 5 BDBDRO C[C@@H]1CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)C1 ZINC001120354447 989633485 /nfs/dbraw/zinc/63/34/85/989633485.db2.gz FSLZCYUWKARATI-KXUCPTDWSA-N 1 0 200.282 1.677 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC001262571020 992927441 /nfs/dbraw/zinc/92/74/41/992927441.db2.gz KPRIDSRHKTXNIT-MNOVXSKESA-N 1 0 228.292 1.058 20 5 BDBDRO Cc1cc(N2CCC[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000131991516 178116567 /nfs/dbraw/zinc/11/65/67/178116567.db2.gz YATANFIOUXXZMB-VIFPVBQESA-N 1 0 236.275 1.226 20 5 BDBDRO Cc1cc(NCC(C)(C)[NH3+])ncc1[N+](=O)[O-] ZINC000098020747 178156499 /nfs/dbraw/zinc/15/64/99/178156499.db2.gz JFGYPNAIDSPOAE-UHFFFAOYSA-N 1 0 224.264 1.447 20 5 BDBDRO Cc1cc([N+](=O)[O-])cn(C[C@H](C)[NH+](C)C)c1=O ZINC000331070230 178274457 /nfs/dbraw/zinc/27/44/57/178274457.db2.gz CJJCTGGPFLITMI-VIFPVBQESA-N 1 0 239.275 1.015 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000050228206 178270848 /nfs/dbraw/zinc/27/08/48/178270848.db2.gz LPTQWMAIYCMORL-VIFPVBQESA-N 1 0 249.270 1.076 20 5 BDBDRO C[N@H+](CCNc1cccnc1[N+](=O)[O-])C1CC1 ZINC000134403054 342826159 /nfs/dbraw/zinc/82/61/59/342826159.db2.gz ISFKYGDUCJTOHU-UHFFFAOYSA-N 1 0 236.275 1.496 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCn1cccn1 ZINC000042319595 361979026 /nfs/dbraw/zinc/97/90/26/361979026.db2.gz RZRVKYGJPWJUSG-UHFFFAOYSA-N 1 0 246.270 1.581 20 5 BDBDRO CC[C@H]([NH3+])c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000229925855 342855568 /nfs/dbraw/zinc/85/55/68/342855568.db2.gz ZFGUUFOJIVWLEU-JTQLQIEISA-N 1 0 247.258 1.585 20 5 BDBDRO Cc1ccc([C@@H](C)[NH2+]CCCO)cc1[N+](=O)[O-] ZINC000020188589 398316163 /nfs/dbraw/zinc/31/61/63/398316163.db2.gz YMVCSOOSRBZFFJ-SNVBAGLBSA-N 1 0 238.287 1.936 20 5 BDBDRO O=[N+]([O-])c1cnccc1-n1cnc(CCCO)c1 ZINC000609512359 342881258 /nfs/dbraw/zinc/88/12/58/342881258.db2.gz LHJJYFGXOKNFKZ-UHFFFAOYSA-N 1 0 248.242 1.100 20 5 BDBDRO C[NH+](C)CCNc1sccc1[N+](=O)[O-] ZINC000301975843 398311832 /nfs/dbraw/zinc/31/18/32/398311832.db2.gz CAJZMQKYFFIIPY-UHFFFAOYSA-N 1 0 215.278 1.630 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2COC2)cc1 ZINC000602724913 349714447 /nfs/dbraw/zinc/71/44/47/349714447.db2.gz ODGUEYWVOJTDHF-UHFFFAOYSA-N 1 0 236.271 1.373 20 5 BDBDRO CC[C@H]([NH2+]CCO)c1cccc([N+](=O)[O-])c1 ZINC000036721157 343323092 /nfs/dbraw/zinc/32/30/92/343323092.db2.gz JAEHXEKUQWZVQO-NSHDSACASA-N 1 0 224.260 1.628 20 5 BDBDRO CC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000379817384 343633383 /nfs/dbraw/zinc/63/33/83/343633383.db2.gz RIVSKGOGSKONDV-VIFPVBQESA-N 1 0 242.250 1.594 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCO ZINC000078634883 344100538 /nfs/dbraw/zinc/10/05/38/344100538.db2.gz WAHOMOKYHDKGNB-VIFPVBQESA-N 1 0 224.260 1.580 20 5 BDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000381388631 344500519 /nfs/dbraw/zinc/50/05/19/344500519.db2.gz RIDWOUGMWGLKGJ-SFYZADRCSA-N 1 0 237.259 1.060 20 5 BDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000381531698 344518107 /nfs/dbraw/zinc/51/81/07/344518107.db2.gz AUPSWVPSQALZRW-PHDIDXHHSA-N 1 0 243.288 1.122 20 5 BDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H](C)[NH3+] ZINC000381531696 344518109 /nfs/dbraw/zinc/51/81/09/344518109.db2.gz AUPSWVPSQALZRW-NTSWFWBYSA-N 1 0 243.288 1.122 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC([NH+]2CCCC2)C1 ZINC000601194308 344658830 /nfs/dbraw/zinc/65/88/30/344658830.db2.gz YCIDNOFHBZECBI-UHFFFAOYSA-N 1 0 247.298 1.879 20 5 BDBDRO O=[N+]([O-])c1ccc(CCN2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000601326319 345763500 /nfs/dbraw/zinc/76/35/00/345763500.db2.gz ACJYDJPFNIEOGJ-AAEUAGOBSA-N 1 0 247.298 1.183 20 5 BDBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000136363725 346201035 /nfs/dbraw/zinc/20/10/35/346201035.db2.gz HLDZEFHESYKEKD-NXEZZACHSA-N 1 0 238.287 1.844 20 5 BDBDRO C[C@H](CNc1ncc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000401123363 346237427 /nfs/dbraw/zinc/23/74/27/346237427.db2.gz KKTWOWAZGDWTMM-SSDOTTSWSA-N 1 0 242.254 1.491 20 5 BDBDRO C[NH2+]C[C@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000158937271 346277718 /nfs/dbraw/zinc/27/77/18/346277718.db2.gz XNWKUWKSWZWLAR-LLVKDONJSA-N 1 0 249.314 1.949 20 5 BDBDRO Cc1cccc(N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000188386322 179115343 /nfs/dbraw/zinc/11/53/43/179115343.db2.gz JWIQDRFSPIQDMN-UHFFFAOYSA-N 1 0 237.303 1.901 20 5 BDBDRO O=[N+]([O-])c1cn(C[C@@H]2CC[NH2+]C2)nc1C1CC1 ZINC000592171215 347746950 /nfs/dbraw/zinc/74/69/50/347746950.db2.gz UGNHIBCOZLVSOK-MRVPVSSYSA-N 1 0 236.275 1.278 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)CCF)c1 ZINC000593688294 347927746 /nfs/dbraw/zinc/92/77/46/347927746.db2.gz FMYUREGXFDDCEV-SNVBAGLBSA-N 1 0 242.250 1.405 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCOC1 ZINC000594502480 348064205 /nfs/dbraw/zinc/06/42/05/348064205.db2.gz OLHBYKXRMFYIQE-CABZTGNLSA-N 1 0 248.282 1.961 20 5 BDBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594994515 348167960 /nfs/dbraw/zinc/16/79/60/348167960.db2.gz HKZSSPZLSJLLSZ-NEPJUHHUSA-N 1 0 236.271 1.862 20 5 BDBDRO Cc1noc(CN2CC=CCC2)c1[N+](=O)[O-] ZINC000595432290 348249145 /nfs/dbraw/zinc/24/91/45/348249145.db2.gz YUPMRNKGWJLOCK-UHFFFAOYSA-N 1 0 223.232 1.653 20 5 BDBDRO CC[C@H](C)[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000595592040 348277406 /nfs/dbraw/zinc/27/74/06/348277406.db2.gz AQOZZFUPXLIKOU-JTQLQIEISA-N 1 0 240.307 1.912 20 5 BDBDRO C[NH2+]C[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000596103126 348439447 /nfs/dbraw/zinc/43/94/47/348439447.db2.gz ANTSSZVASMVHGA-VIFPVBQESA-N 1 0 223.276 1.292 20 5 BDBDRO C[C@@H](CCNc1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000596431842 348545455 /nfs/dbraw/zinc/54/54/55/348545455.db2.gz NSWDJARMTKHJTG-VIFPVBQESA-N 1 0 238.291 1.742 20 5 BDBDRO C[NH2+]CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000420158126 192164349 /nfs/dbraw/zinc/16/43/49/192164349.db2.gz QCSJAHNRNDUEKO-UHFFFAOYSA-N 1 0 246.270 1.196 20 5 BDBDRO C[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000159302861 350001014 /nfs/dbraw/zinc/00/10/14/350001014.db2.gz XBTUJKCIVILWGL-UHFFFAOYSA-N 1 0 236.275 1.496 20 5 BDBDRO C[C@@H]([NH3+])CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000308863614 348979872 /nfs/dbraw/zinc/97/98/72/348979872.db2.gz QAHIZAHPPPPUMH-RXMQYKEDSA-N 1 0 230.655 1.402 20 5 BDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000601978404 349413191 /nfs/dbraw/zinc/41/31/91/349413191.db2.gz YQDBWNMZSKQWLZ-TXEJJXNPSA-N 1 0 248.282 1.673 20 5 BDBDRO Cc1nc(NCCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000295451510 180016886 /nfs/dbraw/zinc/01/68/86/180016886.db2.gz NTMZGYNNTPJIAS-UHFFFAOYSA-N 1 0 239.279 1.057 20 5 BDBDRO Cc1nc(N[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124121016 180021694 /nfs/dbraw/zinc/02/16/94/180021694.db2.gz LKJPAIVNMDZEEI-SECBINFHSA-N 1 0 236.275 1.462 20 5 BDBDRO C[C@H]1C[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350086687 350315646 /nfs/dbraw/zinc/31/56/46/350315646.db2.gz UFHQMQRXLSEPIC-UWVGGRQHSA-N 1 0 238.291 1.522 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCCC2)cc1 ZINC000020127023 363026506 /nfs/dbraw/zinc/02/65/06/363026506.db2.gz ZOFTXZFTJKHWDU-UHFFFAOYSA-N 1 0 249.314 1.780 20 5 BDBDRO Cc1c(C[NH2+][C@@H](C)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000231885601 351434366 /nfs/dbraw/zinc/43/43/66/351434366.db2.gz VEGBMRYUPRUHCW-VHSXEESVSA-N 1 0 238.287 1.762 20 5 BDBDRO Cc1c(CN2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000041029946 188396825 /nfs/dbraw/zinc/39/68/25/188396825.db2.gz OHYGICOKPCKVEJ-LBPRGKRZSA-N 1 0 249.314 1.826 20 5 BDBDRO C[NH2+]CCNCc1ccc([N+](=O)[O-])cc1C ZINC000414823575 191588262 /nfs/dbraw/zinc/58/82/62/191588262.db2.gz IJAWXSJRLKXORY-UHFFFAOYSA-N 1 0 223.276 1.212 20 5 BDBDRO C[C@@H](C[NH3+])Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000420235886 192182118 /nfs/dbraw/zinc/18/21/18/192182118.db2.gz AGOQMIRLZKMXQR-ZETCQYMHSA-N 1 0 236.275 1.322 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC[NH3+] ZINC000420367805 192225711 /nfs/dbraw/zinc/22/57/11/192225711.db2.gz ACJZKWBQJBOECF-SNVBAGLBSA-N 1 0 237.303 1.855 20 5 BDBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])nc1 ZINC000450376992 202146692 /nfs/dbraw/zinc/14/66/92/202146692.db2.gz HUGCMYPXQRSVAO-UHFFFAOYSA-N 1 0 227.289 1.644 20 5 BDBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC2)cn1 ZINC000450405591 202156615 /nfs/dbraw/zinc/15/66/15/202156615.db2.gz PFDDSQOPPFAOGC-UHFFFAOYSA-N 1 0 222.248 1.107 20 5 BDBDRO C[NH2+][C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000346643635 357123495 /nfs/dbraw/zinc/12/34/95/357123495.db2.gz NHQODDOCBSUGCW-GFCCVEGCSA-N 1 0 249.314 1.697 20 5 BDBDRO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000389751688 358436363 /nfs/dbraw/zinc/43/63/63/358436363.db2.gz LRBJJHFFFRMDIN-RQJHMYQMSA-N 1 0 242.304 1.461 20 5 BDBDRO [NH3+]C1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000051693711 181342590 /nfs/dbraw/zinc/34/25/90/181342590.db2.gz VEPJDHDKXNUJLM-UHFFFAOYSA-N 1 0 236.275 1.672 20 5 BDBDRO [NH3+]C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000037472399 181344574 /nfs/dbraw/zinc/34/45/74/181344574.db2.gz JREFVFFRLOHPNF-UHFFFAOYSA-N 1 0 241.316 1.579 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCOC2)cc1 ZINC000037668303 364461138 /nfs/dbraw/zinc/46/11/38/364461138.db2.gz OTZFPVFUCFSSBG-LLVKDONJSA-N 1 0 236.271 1.721 20 5 BDBDRO CC[C@H](NCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037712730 364541704 /nfs/dbraw/zinc/54/17/04/364541704.db2.gz KYVGTKYCYIRVTG-NSHDSACASA-N 1 0 223.276 1.594 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCOC2)cs1 ZINC000037739035 364559212 /nfs/dbraw/zinc/55/92/12/364559212.db2.gz RLXRCLCAVBTWTN-MRVPVSSYSA-N 1 0 242.300 1.782 20 5 BDBDRO C[C@H](NC(=O)CC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037766513 364599707 /nfs/dbraw/zinc/59/97/07/364599707.db2.gz RSIAWBFWCCPAEM-QMMMGPOBSA-N 1 0 237.259 1.121 20 5 BDBDRO [NH3+]CCN(CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000289936451 181390602 /nfs/dbraw/zinc/39/06/02/181390602.db2.gz WUSMVHXICDJRNL-UHFFFAOYSA-N 1 0 235.287 1.770 20 5 BDBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226781298 181431906 /nfs/dbraw/zinc/43/19/06/181431906.db2.gz RDWPSAGJRKKIQI-BQBZGAKWSA-N 1 0 242.304 1.591 20 5 BDBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000404792913 369436130 /nfs/dbraw/zinc/43/61/30/369436130.db2.gz RYVXPFLOBUQSAV-RYUDHWBXSA-N 1 0 249.314 1.810 20 5 BDBDRO COC[C@@](C)([NH3+])CNc1ccsc1[N+](=O)[O-] ZINC000601116229 371728484 /nfs/dbraw/zinc/72/84/84/371728484.db2.gz ISJBAHBQXUAKRH-VIFPVBQESA-N 1 0 245.304 1.432 20 5 BDBDRO C[C@@H]1[NH2+]CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000600682363 371695097 /nfs/dbraw/zinc/69/50/97/371695097.db2.gz NATWTUBGWJUIET-GXSJLCMTSA-N 1 0 235.287 1.435 20 5 BDBDRO Cc1ccc(OCC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000304448253 371791409 /nfs/dbraw/zinc/79/14/09/371791409.db2.gz JMMPEYXJRITAPY-UHFFFAOYSA-N 1 0 222.244 1.501 20 5 BDBDRO CCC[NH+](CCC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602429567 371802931 /nfs/dbraw/zinc/80/29/31/371802931.db2.gz PRUGVJQUOFTNED-UHFFFAOYSA-N 1 0 240.307 1.950 20 5 BDBDRO C[C@H](C1CC1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441994 371804858 /nfs/dbraw/zinc/80/48/58/371804858.db2.gz IGGLEHRWMGEYQM-MRVPVSSYSA-N 1 0 238.291 1.559 20 5 BDBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602824217 371844110 /nfs/dbraw/zinc/84/41/10/371844110.db2.gz YGSNHVIZDSKLLU-SCZZXKLOSA-N 1 0 238.291 1.607 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)[C@@H]1C ZINC000602832748 371846240 /nfs/dbraw/zinc/84/62/40/371846240.db2.gz QVGZMLDWWLPOEQ-IUCAKERBSA-N 1 0 238.291 1.440 20 5 BDBDRO Cc1c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cccc1[N+](=O)[O-] ZINC000603092150 371867622 /nfs/dbraw/zinc/86/76/22/371867622.db2.gz TTWBEBWMMYBIKH-AAEUAGOBSA-N 1 0 248.282 1.470 20 5 BDBDRO CCC[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602765238 371837948 /nfs/dbraw/zinc/83/79/48/371837948.db2.gz IKOAIVOFGLOIBF-UHFFFAOYSA-N 1 0 226.280 1.442 20 5 BDBDRO CC[NH+](CC)CCNc1ncc([N+](=O)[O-])cn1 ZINC000040454339 373274435 /nfs/dbraw/zinc/27/44/35/373274435.db2.gz NUABYQAMFKOWHF-UHFFFAOYSA-N 1 0 239.279 1.139 20 5 BDBDRO CC[C@@H](C)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174856858 374269409 /nfs/dbraw/zinc/26/94/09/374269409.db2.gz MFTBSXJWIFLXGS-SNVBAGLBSA-N 1 0 240.307 1.769 20 5 BDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]1 ZINC000073350088 182372562 /nfs/dbraw/zinc/37/25/62/182372562.db2.gz FISIKXWCKYCPEB-SNVBAGLBSA-N 1 0 235.243 1.285 20 5 BDBDRO CC[NH2+]CCNc1ccc([N+](=O)[O-])cn1 ZINC000054267341 170116848 /nfs/dbraw/zinc/11/68/48/170116848.db2.gz FVTQZEBQHGIHTC-UHFFFAOYSA-N 1 0 210.237 1.011 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCOC2)cs1 ZINC000071012348 182922411 /nfs/dbraw/zinc/92/24/11/182922411.db2.gz AYHPDEWOXRLNDN-SECBINFHSA-N 1 0 242.300 1.925 20 5 BDBDRO CCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269653020 169078193 /nfs/dbraw/zinc/07/81/93/169078193.db2.gz NAOJTJIUUZQDIB-LBPRGKRZSA-N 1 0 238.287 1.970 20 5 BDBDRO [NH3+][C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000050227754 383976083 /nfs/dbraw/zinc/97/60/83/383976083.db2.gz PYGFGQZBVGFLPF-SNVBAGLBSA-N 1 0 221.260 1.128 20 5 BDBDRO CCO[C@H]1C[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000572823837 384171442 /nfs/dbraw/zinc/17/14/42/384171442.db2.gz ZVYDHRROFSCLBG-JQWIXIFHSA-N 1 0 236.271 1.862 20 5 BDBDRO CCCC[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000157610095 384229204 /nfs/dbraw/zinc/22/92/04/384229204.db2.gz JBJWDNQOHFMSFD-UHFFFAOYSA-N 1 0 240.307 1.913 20 5 BDBDRO C[NH+](C)CC(C)(C)Nc1ncc([N+](=O)[O-])cn1 ZINC000308645750 384340570 /nfs/dbraw/zinc/34/05/70/384340570.db2.gz BGDSUKRTQCYXJZ-UHFFFAOYSA-N 1 0 239.279 1.137 20 5 BDBDRO C[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1 ZINC000235455449 384406581 /nfs/dbraw/zinc/40/65/81/384406581.db2.gz ZZOPYXUSAKLKBI-MRVPVSSYSA-N 1 0 209.249 1.032 20 5 BDBDRO [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422737437 384468142 /nfs/dbraw/zinc/46/81/42/384468142.db2.gz IFCKVHLTUWFCOK-STQMWFEESA-N 1 0 249.314 1.607 20 5 BDBDRO [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422737435 384468798 /nfs/dbraw/zinc/46/87/98/384468798.db2.gz IFCKVHLTUWFCOK-OLZOCXBDSA-N 1 0 249.314 1.607 20 5 BDBDRO Cc1c(CN2CC[C@H]([NH3+])[C@@H]2C)cccc1[N+](=O)[O-] ZINC000310830437 384497567 /nfs/dbraw/zinc/49/75/67/384497567.db2.gz YTDLHSWQYUJJJZ-JQWIXIFHSA-N 1 0 249.314 1.825 20 5 BDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285457777 384487756 /nfs/dbraw/zinc/48/77/56/384487756.db2.gz JPITTZVCPGQPIV-UHFFFAOYSA-N 1 0 236.271 1.552 20 5 BDBDRO C[C@@H](NCC(C)(C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423288366 384532470 /nfs/dbraw/zinc/53/24/70/384532470.db2.gz RWDTXXFRKBGEKZ-SECBINFHSA-N 1 0 237.303 1.983 20 5 BDBDRO O=[N+]([O-])c1ccccc1NCC[NH+]1CCC1 ZINC000309518620 384849610 /nfs/dbraw/zinc/84/96/10/384849610.db2.gz SNLPSPDQJWPQGJ-UHFFFAOYSA-N 1 0 221.260 1.712 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000147881922 384862463 /nfs/dbraw/zinc/86/24/63/384862463.db2.gz XGTHRQYUBFGHRO-SECBINFHSA-N 1 0 249.270 1.076 20 5 BDBDRO O=[N+]([O-])c1cnc(NCC[C@H]2CCC[NH2+]2)s1 ZINC000226784300 384900628 /nfs/dbraw/zinc/90/06/28/384900628.db2.gz FGGXZJLGCMOCKY-SSDOTTSWSA-N 1 0 242.304 1.605 20 5 BDBDRO O=[N+]([O-])c1ccnn1CC[NH+]1CCCCC1 ZINC000127986696 384977378 /nfs/dbraw/zinc/97/73/78/384977378.db2.gz PORSLFIZMCUWCM-UHFFFAOYSA-N 1 0 224.264 1.277 20 5 BDBDRO CC[NH+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351331 385133697 /nfs/dbraw/zinc/13/36/97/385133697.db2.gz GKJWRRQSWUCMDO-LBPRGKRZSA-N 1 0 238.287 1.970 20 5 BDBDRO Cc1cnc(NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000085426568 385177262 /nfs/dbraw/zinc/17/72/62/385177262.db2.gz DWZPGRKVIWVYKP-UHFFFAOYSA-N 1 0 224.264 1.449 20 5 BDBDRO CC[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000396 385590893 /nfs/dbraw/zinc/59/08/93/385590893.db2.gz VEOAUZZJLZAGBC-UHFFFAOYSA-N 1 0 238.291 1.662 20 5 BDBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000397882386 385726124 /nfs/dbraw/zinc/72/61/24/385726124.db2.gz LFAJBWCXYKCNOL-UHFFFAOYSA-N 1 0 242.304 1.557 20 5 BDBDRO C[C@@H](CC[NH3+])NCc1ccc([N+](=O)[O-])cc1F ZINC000414894805 386176761 /nfs/dbraw/zinc/17/67/61/386176761.db2.gz LYBORFLYPLXNPE-QMMMGPOBSA-N 1 0 241.266 1.561 20 5 BDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000087383780 386198255 /nfs/dbraw/zinc/19/82/55/386198255.db2.gz QDIYVEOGQMSOIV-NSHDSACASA-N 1 0 249.270 1.062 20 5 BDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000366441880 386385214 /nfs/dbraw/zinc/38/52/14/386385214.db2.gz PHYJDLCWRCXVEE-ITGUQSILSA-N 1 0 248.282 1.265 20 5 BDBDRO O=[N+]([O-])c1cnn(CCC[NH+]2CCCC2)c1 ZINC000184471470 386550191 /nfs/dbraw/zinc/55/01/91/386550191.db2.gz JFOARBDTWBYTEK-UHFFFAOYSA-N 1 0 224.264 1.277 20 5 BDBDRO C[NH2+][C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000053201365 387013110 /nfs/dbraw/zinc/01/31/10/387013110.db2.gz SYYRJMMRACJPTP-GFCCVEGCSA-N 1 0 249.314 1.779 20 5 BDBDRO CC[NH2+]CCNCc1ccc([N+](=O)[O-])cc1 ZINC000414824214 387269713 /nfs/dbraw/zinc/26/97/13/387269713.db2.gz JVHBHQITUHTKMN-UHFFFAOYSA-N 1 0 223.276 1.294 20 5 BDBDRO C[NH2+]C[C@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000414847231 387378290 /nfs/dbraw/zinc/37/82/90/387378290.db2.gz VSPYXEXUAUVZQZ-JTQLQIEISA-N 1 0 237.303 1.540 20 5 BDBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000054127820 387347016 /nfs/dbraw/zinc/34/70/16/387347016.db2.gz FXAVJRGXTZOHNF-UHFFFAOYSA-N 1 0 223.276 1.958 20 5 BDBDRO O=[N+]([O-])c1ccc(CNCC[C@H]2CCC[NH2+]2)cc1 ZINC000414909078 387601049 /nfs/dbraw/zinc/60/10/49/387601049.db2.gz SNSHNLMKNZJIBG-GFCCVEGCSA-N 1 0 249.314 1.827 20 5 BDBDRO C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000415015410 387665804 /nfs/dbraw/zinc/66/58/04/387665804.db2.gz YRWRVGDPHUOHKO-NKWVEPMBSA-N 1 0 229.305 1.482 20 5 BDBDRO C[C@@]1(O)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000418108872 387761353 /nfs/dbraw/zinc/76/13/53/387761353.db2.gz HDXFPASIRQPBIE-KLPPZKSPSA-N 1 0 236.271 1.598 20 5 BDBDRO C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423182266 387967932 /nfs/dbraw/zinc/96/79/32/387967932.db2.gz GPOHWSUXLYWEDT-PWSUYJOCSA-N 1 0 249.314 1.997 20 5 BDBDRO C[C@@H]([NH2+]CCO)c1ccc([N+](=O)[O-])cc1 ZINC000037177222 388192295 /nfs/dbraw/zinc/19/22/95/388192295.db2.gz QAOQNVCJLNLBDX-MRVPVSSYSA-N 1 0 210.233 1.238 20 5 BDBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccccc1[N+](=O)[O-] ZINC000131734220 388350433 /nfs/dbraw/zinc/35/04/33/388350433.db2.gz OQOZEKYYOLCFFT-GHMZBOCLSA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])s1)[NH+](C)C ZINC000226770534 388355201 /nfs/dbraw/zinc/35/52/01/388355201.db2.gz RGXRSWBQBSSOBO-LURJTMIESA-N 1 0 230.293 1.413 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[NH3+])n1 ZINC000132313610 388358781 /nfs/dbraw/zinc/35/87/81/388358781.db2.gz FXTXEGKZNKWCQU-UHFFFAOYSA-N 1 0 224.264 1.447 20 5 BDBDRO C[C@H](O)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000227952955 388373932 /nfs/dbraw/zinc/37/39/32/388373932.db2.gz REICTVXSKPYHFR-QMMMGPOBSA-N 1 0 244.316 1.907 20 5 BDBDRO [NH3+]CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000211264954 256677734 /nfs/dbraw/zinc/67/77/34/256677734.db2.gz WLNDKHVTJZWACK-DAXSKMNVSA-N 1 0 249.270 1.073 20 5 BDBDRO C[NH2+]CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423191550 388687706 /nfs/dbraw/zinc/68/77/06/388687706.db2.gz SWYVWIUJOIQQSD-JTQLQIEISA-N 1 0 237.303 1.855 20 5 BDBDRO Cc1c(CN[C@@H]2CCC[C@@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423084140 388688092 /nfs/dbraw/zinc/68/80/92/388688092.db2.gz ZVOJTDFYAXIOOH-NWDGAFQWSA-N 1 0 249.314 1.873 20 5 BDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN ZINC000423179689 388688466 /nfs/dbraw/zinc/68/84/66/388688466.db2.gz JRRMOEGUKTYDEP-JTQLQIEISA-N 1 0 237.303 1.464 20 5 BDBDRO Cc1c(CN[C@@H]2CCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423084144 388688740 /nfs/dbraw/zinc/68/87/40/388688740.db2.gz ZVOJTDFYAXIOOH-VXGBXAGGSA-N 1 0 249.314 1.873 20 5 BDBDRO C[C@H](N[C@H](C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423268793 388689360 /nfs/dbraw/zinc/68/93/60/388689360.db2.gz DYRKTWCAZIMZPY-TVQRCGJNSA-N 1 0 249.314 1.983 20 5 BDBDRO C[C@H](NCC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423309084 388691711 /nfs/dbraw/zinc/69/17/11/388691711.db2.gz YUDGGIXDTYUOJC-VIFPVBQESA-N 1 0 235.287 1.465 20 5 BDBDRO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000423431186 388693062 /nfs/dbraw/zinc/69/30/62/388693062.db2.gz LNRAEGVSHAILGW-KMLBCRHOSA-N 1 0 247.298 1.463 20 5 BDBDRO CC[C@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000080108750 388706799 /nfs/dbraw/zinc/70/67/99/388706799.db2.gz COAHVBLOPMTLCJ-GFCCVEGCSA-N 1 0 238.287 1.845 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000375778961 388720515 /nfs/dbraw/zinc/72/05/15/388720515.db2.gz YODYHWXFCSJXGX-XYYAHUGASA-N 1 0 248.282 1.577 20 5 BDBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000022145964 388826457 /nfs/dbraw/zinc/82/64/57/388826457.db2.gz BAGMQZQOPSFTHS-UHFFFAOYSA-N 1 0 209.249 1.568 20 5 BDBDRO C[NH+](C)CCSc1ncc([N+](=O)[O-])cn1 ZINC000302153310 388839726 /nfs/dbraw/zinc/83/97/26/388839726.db2.gz LOQBLDLBLJAKCN-UHFFFAOYSA-N 1 0 228.277 1.039 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+][C@H](C)C2)n1 ZINC000122712053 132227959 /nfs/dbraw/zinc/22/79/59/132227959.db2.gz MZVAGYFULLRVQP-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO Cc1ccc(CN2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000347125246 133805374 /nfs/dbraw/zinc/80/53/74/133805374.db2.gz XTLHNYNAIODHJN-GFCCVEGCSA-N 1 0 249.314 1.826 20 5 BDBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1ncccc1[N+](=O)[O-] ZINC000216226245 133965085 /nfs/dbraw/zinc/96/50/85/133965085.db2.gz MTWNDNXACVXXLT-RKDXNWHRSA-N 1 0 236.275 1.163 20 5 BDBDRO C[NH2+]CCN(C)c1cc(OC)ccc1[N+](=O)[O-] ZINC000155793003 134698071 /nfs/dbraw/zinc/69/80/71/134698071.db2.gz QWOXLKALEPCSEO-UHFFFAOYSA-N 1 0 239.275 1.259 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH3+])C1 ZINC000257364354 135131374 /nfs/dbraw/zinc/13/13/74/135131374.db2.gz OOVQKXQTPRALES-GXSJLCMTSA-N 1 0 235.287 1.689 20 5 BDBDRO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261552495 135191184 /nfs/dbraw/zinc/19/11/84/135191184.db2.gz MXWMJVYAVBKWGF-IONNQARKSA-N 1 0 239.250 1.517 20 5 BDBDRO C[C@]1(C[NH3+])CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000261552510 135191562 /nfs/dbraw/zinc/19/15/62/135191562.db2.gz MYJKZCSFNWZLLH-GFCCVEGCSA-N 1 0 235.287 1.770 20 5 BDBDRO [NH3+]C[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261563005 135205101 /nfs/dbraw/zinc/20/51/01/135205101.db2.gz WUSSQFCZXNLDDQ-QMMMGPOBSA-N 1 0 239.250 1.519 20 5 BDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@@H]12 ZINC000261564342 135205717 /nfs/dbraw/zinc/20/57/17/135205717.db2.gz HGZQPXPVTOINFE-FBIMIBRVSA-N 1 0 248.286 1.163 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261565614 135207701 /nfs/dbraw/zinc/20/77/01/135207701.db2.gz HVBMSSLURVKUSR-NXEZZACHSA-N 1 0 248.286 1.036 20 5 BDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000261583714 135224243 /nfs/dbraw/zinc/22/42/43/135224243.db2.gz RWLCBIUKNCOFKR-KCJUWKMLSA-N 1 0 249.270 1.157 20 5 BDBDRO CC1(C)CN(Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000263255540 135342511 /nfs/dbraw/zinc/34/25/11/135342511.db2.gz QLACXCFNDRNCRH-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO CCOc1cc(NCC[NH3+])ccc1[N+](=O)[O-] ZINC000082523318 135439414 /nfs/dbraw/zinc/43/94/14/135439414.db2.gz VUKVAKMMKYLHPG-UHFFFAOYSA-N 1 0 225.248 1.364 20 5 BDBDRO C[C@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414942973 398026470 /nfs/dbraw/zinc/02/64/70/398026470.db2.gz DXNGHJCZXJPONU-CMPLNLGQSA-N 1 0 249.314 1.825 20 5 BDBDRO CC[C@H](C)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176238911 171272366 /nfs/dbraw/zinc/27/23/66/171272366.db2.gz ZCCIOXNIMXEBGN-JTQLQIEISA-N 1 0 240.307 1.769 20 5 BDBDRO C[NH+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000264007464 172540065 /nfs/dbraw/zinc/54/00/65/172540065.db2.gz KDSRTHOWLSUIQU-JTQLQIEISA-N 1 0 236.275 1.130 20 5 BDBDRO CN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000071311528 172779952 /nfs/dbraw/zinc/77/99/52/172779952.db2.gz SFTBNXZHSTZWNF-ZDUSSCGKSA-N 1 0 249.314 1.431 20 5 BDBDRO CN1CCC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000227440438 173034619 /nfs/dbraw/zinc/03/46/19/173034619.db2.gz BDSQFZCIEGXIGX-GFCCVEGCSA-N 1 0 249.314 1.779 20 5 BDBDRO C[NH2+]CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000234385796 173357116 /nfs/dbraw/zinc/35/71/16/173357116.db2.gz NCGSOHRKBDMBFE-UHFFFAOYSA-N 1 0 231.202 1.504 20 5 BDBDRO C[NH2+]C[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000123576371 173370135 /nfs/dbraw/zinc/37/01/35/173370135.db2.gz VBTSHSLHHGXBHS-ZDUSSCGKSA-N 1 0 249.314 1.779 20 5 BDBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000109347935 173370921 /nfs/dbraw/zinc/37/09/21/173370921.db2.gz RVRFFGWXVMTTQZ-LBPRGKRZSA-N 1 0 249.314 1.636 20 5 BDBDRO COCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000008728598 174248020 /nfs/dbraw/zinc/24/80/20/174248020.db2.gz PBOAZEAVXXEQJV-UHFFFAOYSA-N 1 0 224.260 1.721 20 5 BDBDRO COCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034994398 174336381 /nfs/dbraw/zinc/33/63/81/174336381.db2.gz XANNESHSCXVOSH-UHFFFAOYSA-N 1 0 224.260 1.639 20 5 BDBDRO COc1cccc(N[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000135050883 175280115 /nfs/dbraw/zinc/28/01/15/175280115.db2.gz FCEGKBFSEOOJHG-QMMMGPOBSA-N 1 0 237.259 1.377 20 5 BDBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330393789 176150872 /nfs/dbraw/zinc/15/08/72/176150872.db2.gz CGMASFOHXMJEDZ-RKDXNWHRSA-N 1 0 238.291 1.607 20 5 BDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCn1cc([N+](=O)[O-])cn1 ZINC000123177676 176199680 /nfs/dbraw/zinc/19/96/80/176199680.db2.gz RYMNXFNIYBGLKI-NXEZZACHSA-N 1 0 238.291 1.664 20 5 BDBDRO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000235369154 176262897 /nfs/dbraw/zinc/26/28/97/176262897.db2.gz GJJYLXOPCDIWDV-PSASIEDQSA-N 1 0 249.270 1.014 20 5 BDBDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000357994429 176274873 /nfs/dbraw/zinc/27/48/73/176274873.db2.gz MXAOSDZOTDJREW-PWSUYJOCSA-N 1 0 249.314 1.635 20 5 BDBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000340930929 176383414 /nfs/dbraw/zinc/38/34/14/176383414.db2.gz TZJWTGNBLUSSCK-BXKDBHETSA-N 1 0 236.271 1.550 20 5 BDBDRO C[C@@H]1[NH2+]CCN(Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000346695217 176461512 /nfs/dbraw/zinc/46/15/12/176461512.db2.gz YZJFRAAOTDIGQE-QWRGUYRKSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](O)C1 ZINC000074313398 177038055 /nfs/dbraw/zinc/03/80/55/177038055.db2.gz AQTUTISUHBJBGU-SKDRFNHKSA-N 1 0 236.271 1.722 20 5 BDBDRO C[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176286248 177109450 /nfs/dbraw/zinc/10/94/50/177109450.db2.gz QSFSJZDEWMRLET-VIFPVBQESA-N 1 0 224.264 1.276 20 5 BDBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000351810988 177264303 /nfs/dbraw/zinc/26/43/03/177264303.db2.gz OLMPZJFMKMMXRX-JOYOIKCWSA-N 1 0 236.271 1.407 20 5 BDBDRO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000235681407 177270590 /nfs/dbraw/zinc/27/05/90/177270590.db2.gz IHLFKLXDSCDIOQ-CBAPKCEASA-N 1 0 241.316 1.435 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](C)C1 ZINC000227533519 177274699 /nfs/dbraw/zinc/27/46/99/177274699.db2.gz ATDKVSYPPVPJKP-WDEREUQCSA-N 1 0 249.314 1.950 20 5 BDBDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226784266 177395421 /nfs/dbraw/zinc/39/54/21/177395421.db2.gz XXSRJBKCLARXJQ-RQJHMYQMSA-N 1 0 242.304 1.604 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000069134754 322860207 /nfs/dbraw/zinc/86/02/07/322860207.db2.gz CADQQUFMPFUBNK-PHIMTYICSA-N 1 0 249.314 1.777 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCO ZINC000151738990 323025516 /nfs/dbraw/zinc/02/55/16/323025516.db2.gz OYDAYNDBHKLUPB-JTQLQIEISA-N 1 0 238.287 1.936 20 5 BDBDRO C[NH2+]C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000261577764 536440193 /nfs/dbraw/zinc/44/01/93/536440193.db2.gz OPICKRLUAOSXQZ-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO C[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000261567347 536404341 /nfs/dbraw/zinc/40/43/41/536404341.db2.gz DXHMICFKYVCOEU-SSDOTTSWSA-N 1 0 224.264 1.318 20 5 BDBDRO C[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000261542432 536404400 /nfs/dbraw/zinc/40/44/00/536404400.db2.gz CCOJZESTRAZZMO-MRVPVSSYSA-N 1 0 239.275 1.623 20 5 BDBDRO Cc1cc(N2CC=C(N)[NH2+]2)c([N+](=O)[O-])s1 ZINC000895248684 583631943 /nfs/dbraw/zinc/63/19/43/583631943.db2.gz LZBUNARJDWNOKB-UHFFFAOYSA-N 1 0 226.261 1.089 20 5 BDBDRO CN(C)[C@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000899859470 584242688 /nfs/dbraw/zinc/24/26/88/584242688.db2.gz KFSQKCWOWRUYMC-GFCCVEGCSA-N 1 0 237.303 1.156 20 5 BDBDRO CCCCOCCC[NH2+]CC[N+](=O)[O-] ZINC000899859245 584242745 /nfs/dbraw/zinc/24/27/45/584242745.db2.gz HNHQKJCDTGBLOI-UHFFFAOYSA-N 1 0 204.270 1.060 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1cc2c(s1)CCCC2 ZINC000899871717 584244334 /nfs/dbraw/zinc/24/43/34/584244334.db2.gz SQUNYBSQDKDZAY-UHFFFAOYSA-N 1 0 240.328 1.993 20 5 BDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNCC[N+](=O)[O-])C1 ZINC000899870499 584244463 /nfs/dbraw/zinc/24/44/63/584244463.db2.gz HVZGCBXQTMUKGP-TXEJJXNPSA-N 1 0 243.351 1.221 20 5 BDBDRO C[C@H](CNCC[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000899870318 584244469 /nfs/dbraw/zinc/24/44/69/584244469.db2.gz MHBYKBFRWHUNAY-GHMZBOCLSA-N 1 0 229.324 1.116 20 5 BDBDRO CCOCc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000899870664 584244863 /nfs/dbraw/zinc/24/48/63/584244863.db2.gz NIJBEXMFEBROPF-UHFFFAOYSA-N 1 0 238.287 1.589 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCc2ccccc21 ZINC000899865428 584245022 /nfs/dbraw/zinc/24/50/22/584245022.db2.gz HVAMLTUPDONHMW-GFCCVEGCSA-N 1 0 234.299 1.973 20 5 BDBDRO C[C@]1(CC[NH2+]CC[N+](=O)[O-])CC1(F)F ZINC000899891014 584246025 /nfs/dbraw/zinc/24/60/25/584246025.db2.gz GJQUVXSISMCJRU-ZETCQYMHSA-N 1 0 208.208 1.288 20 5 BDBDRO O=[N+]([O-])CCN1CC(c2ccccc2)C1 ZINC000899894176 584248192 /nfs/dbraw/zinc/24/81/92/584248192.db2.gz UAPIQRMMKJWCCO-UHFFFAOYSA-N 1 0 206.245 1.363 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000903960490 584828408 /nfs/dbraw/zinc/82/84/08/584828408.db2.gz MMUBUJSJUVKFOT-MWLCHTKSSA-N 1 0 235.287 1.292 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000791053533 585973054 /nfs/dbraw/zinc/97/30/54/585973054.db2.gz TWOOJHMOLGDKMI-UWVGGRQHSA-N 1 0 230.333 1.623 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1N[NH2+]C1=CC(=O)CN1 ZINC000807990754 586455595 /nfs/dbraw/zinc/45/55/95/586455595.db2.gz MDERWUDWENMSDU-UHFFFAOYSA-N 1 0 248.242 1.674 20 5 BDBDRO C[C@@H]([NH3+])CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817971332 586859424 /nfs/dbraw/zinc/85/94/24/586859424.db2.gz CJRNIXGCQDNBJN-SFYZADRCSA-N 1 0 238.291 1.175 20 5 BDBDRO CC[NH2+]CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000818465790 586891896 /nfs/dbraw/zinc/89/18/96/586891896.db2.gz KWKBLJTUSMHBKG-UHFFFAOYSA-N 1 0 249.270 1.093 20 5 BDBDRO C[C@@H](C[NH3+])c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823270700 587213325 /nfs/dbraw/zinc/21/33/25/587213325.db2.gz UPGWZDJCGZSMQI-YFKPBYRVSA-N 1 0 238.203 1.300 20 5 BDBDRO O=[N+]([O-])c1ccc(OCC2C[NH2+]C2)c(F)c1F ZINC000830409287 587550543 /nfs/dbraw/zinc/55/05/43/587550543.db2.gz JCKFXEHRMQGKNZ-UHFFFAOYSA-N 1 0 244.197 1.471 20 5 BDBDRO [NH3+]CCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218742 588093493 /nfs/dbraw/zinc/09/34/93/588093493.db2.gz FFIILCJOWVXGGI-UHFFFAOYSA-N 1 0 240.244 1.208 20 5 BDBDRO C[C@H](C[N+](=O)[O-])OC(=O)C[C@@H](C)n1ccnc1 ZINC000845578639 588233967 /nfs/dbraw/zinc/23/39/67/588233967.db2.gz ZZDIRRCAXWRXRO-RKDXNWHRSA-N 1 0 241.247 1.043 20 5 BDBDRO C/C=C\C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863582649 589301500 /nfs/dbraw/zinc/30/15/00/589301500.db2.gz PXMUOHDSXVPIIL-ZZKXABKFSA-N 1 0 236.271 1.794 20 5 BDBDRO Cc1c(C[NH2+][C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000873129410 589985311 /nfs/dbraw/zinc/98/53/11/589985311.db2.gz LGAJRPRYEUMTDG-PHIMTYICSA-N 1 0 236.271 1.516 20 5 BDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3C=CCC3)C2)c1 ZINC000877624873 590376636 /nfs/dbraw/zinc/37/66/36/590376636.db2.gz UGEPZQHKVSMPGL-WHXUTIOJSA-N 1 0 248.286 1.803 20 5 BDBDRO CCC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885971180 592119261 /nfs/dbraw/zinc/11/92/61/592119261.db2.gz SPWWIDDKFZOTSA-UHFFFAOYSA-N 1 0 209.249 1.832 20 5 BDBDRO C[C@@H]1C[NH+]=C(NCc2cccc([N+](=O)[O-])c2)N1 ZINC000310242922 632712405 /nfs/dbraw/zinc/71/24/05/632712405.db2.gz TZGFXNVRTAYZBR-MRVPVSSYSA-N 1 0 234.259 1.032 20 5 BDBDRO C[C@H]([NH3+])CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000310303924 632717013 /nfs/dbraw/zinc/71/70/13/632717013.db2.gz RCBNOUHNDMQAMQ-JTQLQIEISA-N 1 0 237.303 1.416 20 5 BDBDRO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCCC3)c2c1 ZINC000034872164 635856010 /nfs/dbraw/zinc/85/60/10/635856010.db2.gz PPVYQPKHMDKXGE-UHFFFAOYSA-N 1 0 246.270 1.998 20 5 BDBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CC[N+](=O)[O-])C(C)C ZINC000930638529 633965733 /nfs/dbraw/zinc/96/57/33/633965733.db2.gz IBALQJCQMLLODT-MNOVXSKESA-N 1 0 232.324 1.142 20 5 BDBDRO C[C@H]1CCCC[C@]1(C)[NH2+]CC[N+](=O)[O-] ZINC000930692929 634038169 /nfs/dbraw/zinc/03/81/69/634038169.db2.gz OASNDPODACZNJJ-UWVGGRQHSA-N 1 0 200.282 1.822 20 5 BDBDRO CC(C)[C@H]1[N@H+](CC[N+](=O)[O-])CC12CCC2 ZINC000899885921 637148301 /nfs/dbraw/zinc/14/83/01/637148301.db2.gz QHKPVZXKGKXACN-SNVBAGLBSA-N 1 0 212.293 1.774 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccccc1N1CCCC1 ZINC000905060909 637595619 /nfs/dbraw/zinc/59/56/19/637595619.db2.gz YMFFIQPLZKFBRZ-UHFFFAOYSA-N 1 0 249.314 1.653 20 5 BDBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905152371 637636443 /nfs/dbraw/zinc/63/64/43/637636443.db2.gz BWJOFKKLQHVVSN-QWRGUYRKSA-N 1 0 230.308 1.304 20 5 BDBDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905127267 637641211 /nfs/dbraw/zinc/64/12/11/637641211.db2.gz JXZBNPLOMSZZRD-GHMZBOCLSA-N 1 0 244.335 1.694 20 5 BDBDRO C[C@@H](CCc1cccn1C)[NH2+]CC[N+](=O)[O-] ZINC000905141083 637649152 /nfs/dbraw/zinc/64/91/52/637649152.db2.gz YKOFESHIKKGVNQ-JTQLQIEISA-N 1 0 225.292 1.213 20 5 BDBDRO CC(C)[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905194666 637674872 /nfs/dbraw/zinc/67/48/72/637674872.db2.gz KUJXNSRWQKYGRW-NXEZZACHSA-N 1 0 216.281 1.056 20 5 BDBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[N+](=O)[O-] ZINC000905178576 637684707 /nfs/dbraw/zinc/68/47/07/637684707.db2.gz XFJSCYYMGBBYTE-VIFPVBQESA-N 1 0 224.260 1.190 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000905177445 637684952 /nfs/dbraw/zinc/68/49/52/637684952.db2.gz VVMXJBSQCBKMGS-JTQLQIEISA-N 1 0 228.292 1.345 20 5 BDBDRO CCC(CC)[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905201357 637694559 /nfs/dbraw/zinc/69/45/59/637694559.db2.gz IFKPGTSKYXVXON-VXGBXAGGSA-N 1 0 244.335 1.837 20 5 BDBDRO C[C@@H]1C[C@@H](CC[NH2+]CC[N+](=O)[O-])C[C@H](C)O1 ZINC000905251981 637710724 /nfs/dbraw/zinc/71/07/24/637710724.db2.gz BFBGXAXSTLDRPL-JGPRNRPPSA-N 1 0 230.308 1.446 20 5 BDBDRO CSCc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905233541 637721610 /nfs/dbraw/zinc/72/16/10/637721610.db2.gz XTSUJCXQHFRBRN-UHFFFAOYSA-N 1 0 240.328 1.916 20 5 BDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])CC(F)(F)F ZINC000905293723 637726881 /nfs/dbraw/zinc/72/68/81/637726881.db2.gz XPFTZFIOOMKUDS-LURJTMIESA-N 1 0 214.187 1.441 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1(C2CCC2)CCC1 ZINC000905278563 637734534 /nfs/dbraw/zinc/73/45/34/637734534.db2.gz FRQOPPUCVDJKJX-UHFFFAOYSA-N 1 0 212.293 1.823 20 5 BDBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CC[N+](=O)[O-] ZINC000905380511 637783293 /nfs/dbraw/zinc/78/32/93/637783293.db2.gz GMLQADIXUSRELZ-JQWIXIFHSA-N 1 0 238.287 1.017 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000905415791 637803571 /nfs/dbraw/zinc/80/35/71/637803571.db2.gz QERZBPOAPNQWRC-UHFFFAOYSA-N 1 0 230.651 1.412 20 5 BDBDRO CC1(C)CC[C@@H](C[NH2+]CC[N+](=O)[O-])OC1 ZINC000905419278 637805324 /nfs/dbraw/zinc/80/53/24/637805324.db2.gz UUWIEQIEVATBLE-VIFPVBQESA-N 1 0 216.281 1.058 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])CC(F)F ZINC000905423680 637810865 /nfs/dbraw/zinc/81/08/65/637810865.db2.gz SPBONLCKIGHMPN-UHFFFAOYSA-N 1 0 210.224 1.534 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1c(F)cc(O)cc1F ZINC000905627284 637861414 /nfs/dbraw/zinc/86/14/14/637861414.db2.gz UXCGWRXKJUPLGU-UHFFFAOYSA-N 1 0 246.213 1.079 20 5 BDBDRO CC1(C)C[C@@H]([NH2+]CC[N+](=O)[O-])CCS1 ZINC000905662423 637873773 /nfs/dbraw/zinc/87/37/73/637873773.db2.gz JCCQKZCNMRJQLS-QMMMGPOBSA-N 1 0 218.322 1.527 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCC=CCCC1 ZINC000905680604 637889669 /nfs/dbraw/zinc/88/96/69/637889669.db2.gz YFAXTTHPYQGYGF-NSHDSACASA-N 1 0 212.293 1.989 20 5 BDBDRO C[N@H+](CC[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000930290154 639680772 /nfs/dbraw/zinc/68/07/72/639680772.db2.gz IESGWFGUFCMUNB-SECBINFHSA-N 1 0 200.282 1.774 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000930335034 639713273 /nfs/dbraw/zinc/71/32/73/639713273.db2.gz VDLVIKLNLABUEL-SNVBAGLBSA-N 1 0 228.292 1.202 20 5 BDBDRO CCO[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C12CCCC2 ZINC000930435311 639751556 /nfs/dbraw/zinc/75/15/56/639751556.db2.gz LDKDWJVOEQNNNU-WDEREUQCSA-N 1 0 242.319 1.591 20 5 BDBDRO CSC[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930557719 639810827 /nfs/dbraw/zinc/81/08/27/639810827.db2.gz CHFKZMFYVYTKMP-SECBINFHSA-N 1 0 218.322 1.338 20 5 BDBDRO Cc1ccccc1CC[N@@H+](C)CC[N+](=O)[O-] ZINC000930598800 639816290 /nfs/dbraw/zinc/81/62/90/639816290.db2.gz RZOPFEIOJACLDO-UHFFFAOYSA-N 1 0 222.288 1.746 20 5 BDBDRO CO[C@H]1C[C@@H]([N@H+](C)CC[N+](=O)[O-])C12CCC2 ZINC000930652828 639841549 /nfs/dbraw/zinc/84/15/49/639841549.db2.gz PJSNLSCBXYEDJE-ZJUUUORDSA-N 1 0 228.292 1.153 20 5 BDBDRO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])C1(CO)CCCC1 ZINC000930680490 639860368 /nfs/dbraw/zinc/86/03/68/639860368.db2.gz CLSKKVBGDQRJKC-NSHDSACASA-N 1 0 244.335 1.430 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000931022596 640026744 /nfs/dbraw/zinc/02/67/44/640026744.db2.gz YFTZUSVPDZMRCZ-GFCCVEGCSA-N 1 0 242.319 1.544 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000931026026 640029604 /nfs/dbraw/zinc/02/96/04/640029604.db2.gz OMRBCGVGSIISQX-NWDGAFQWSA-N 1 0 242.319 1.544 20 5 BDBDRO C[C@]12C[N@H+](CC[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933704291 640747941 /nfs/dbraw/zinc/74/79/41/640747941.db2.gz WMPCHIGKFAOZRH-WHOHXGKFSA-N 1 0 222.288 1.407 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCOC12CCCCC2 ZINC000933876858 640779029 /nfs/dbraw/zinc/77/90/29/640779029.db2.gz OELDYCJXIYJFAC-JTQLQIEISA-N 1 0 228.292 1.345 20 5 BDBDRO Cc1nn(CN(C)C2CCC2)c(C)c1[N+](=O)[O-] ZINC000172964332 641138649 /nfs/dbraw/zinc/13/86/49/641138649.db2.gz JBHDKKIVKGUUDJ-UHFFFAOYSA-N 1 0 238.291 1.850 20 5 BDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCO ZINC000050443394 641149207 /nfs/dbraw/zinc/14/92/07/641149207.db2.gz KDNRGIQZXKMDGY-UHFFFAOYSA-N 1 0 230.651 1.330 20 5 BDBDRO C[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000174960000 642642462 /nfs/dbraw/zinc/64/24/62/642642462.db2.gz JNBBFXSYUPBCQL-RKDXNWHRSA-N 1 0 224.264 1.479 20 5 BDBDRO C[NH2+]CCN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000420338679 642718763 /nfs/dbraw/zinc/71/87/63/642718763.db2.gz OJTLCXYYPXKAES-UHFFFAOYSA-N 1 0 241.266 1.385 20 5 BDBDRO [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000093215720 644682152 /nfs/dbraw/zinc/68/21/52/644682152.db2.gz DPPXWOVBOWINBR-NEPJUHHUSA-N 1 0 249.314 1.954 20 5 BDBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000929850650 646361826 /nfs/dbraw/zinc/36/18/26/646361826.db2.gz LPQIBBGMMRFMSA-SNVBAGLBSA-N 1 0 238.287 1.532 20 5 BDBDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CC[N+](=O)[O-] ZINC000930034431 646404379 /nfs/dbraw/zinc/40/43/79/646404379.db2.gz AUCUKZRPLYNXDA-QWRGUYRKSA-N 1 0 244.335 1.789 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000930096731 646432841 /nfs/dbraw/zinc/43/28/41/646432841.db2.gz JWHAVWIFNPHIHN-LLVKDONJSA-N 1 0 228.292 1.012 20 5 BDBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC[N+](=O)[O-] ZINC000899872830 711803709 /nfs/dbraw/zinc/80/37/09/711803709.db2.gz FSROVRGPQIJMMA-LBPRGKRZSA-N 1 0 220.272 1.849 20 5 BDBDRO CN1CC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000712584425 712434070 /nfs/dbraw/zinc/43/40/70/712434070.db2.gz AXOBXFKHLVUQOP-LBPRGKRZSA-N 1 0 235.287 1.389 20 5 BDBDRO CN1CC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000712587982 712434488 /nfs/dbraw/zinc/43/44/88/712434488.db2.gz VPSCORHLEUPNMJ-GFCCVEGCSA-N 1 0 235.287 1.389 20 5 BDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000715124493 712511046 /nfs/dbraw/zinc/51/10/46/712511046.db2.gz ANQVKVAKFAMGAU-KYZUINATSA-N 1 0 249.270 1.062 20 5 BDBDRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000719604328 712815834 /nfs/dbraw/zinc/81/58/34/712815834.db2.gz UUUDAXZAUGDMCN-JQWIXIFHSA-N 1 0 249.314 1.777 20 5 BDBDRO CN(CC[NH3+])c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001163687071 968097061 /nfs/dbraw/zinc/09/70/61/968097061.db2.gz RHJPNLNNCBSQBR-UHFFFAOYSA-N 1 0 230.655 1.038 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2O)C1 ZINC001168958927 969309812 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O=[N+]([O-])CC[NH2+][C@H](c1cccnc1)C1CC1 ZINC001332835384 975290836 /nfs/dbraw/zinc/29/08/36/975290836.db2.gz LPSQCDDVDYKZIU-NSHDSACASA-N 1 0 221.260 1.399 20 5 BDBDRO COc1cccnc1CO[C@@H](C)C[N+](C)(C)C ZINC001223356613 973011369 /nfs/dbraw/zinc/01/13/69/973011369.db2.gz XKDJQOGANWEJBZ-NSHDSACASA-N 1 0 239.339 1.702 20 5 BDBDRO C[C@@H](OCC[N+](C)(C)C)C(=O)OC(C)(C)C ZINC001224775777 973943337 /nfs/dbraw/zinc/94/33/37/973943337.db2.gz OYMSDZBDCHTIPA-SNVBAGLBSA-N 1 0 232.344 1.439 20 5 BDBDRO COc1nc(-n2ccc(C[NH3+])c2)ccc1[N+](=O)[O-] ZINC001158764693 971444074 /nfs/dbraw/zinc/44/40/74/971444074.db2.gz VOSVQGCEOFZCPQ-UHFFFAOYSA-N 1 0 248.242 1.248 20 5 BDBDRO O=[N+]([O-])C[C@@H](OC[C@H]1CCC[NH2+]C1)C1CC1 ZINC001217879013 971475786 /nfs/dbraw/zinc/47/57/86/971475786.db2.gz LYMRMENABMOXBI-GXSJLCMTSA-N 1 0 228.292 1.058 20 5 BDBDRO Cc1cc(O[C@H]2C[NH2+][C@H]2C)cc(C)c1[N+](=O)[O-] ZINC001218382644 971761208 /nfs/dbraw/zinc/76/12/08/971761208.db2.gz DBRFNZVVZHAWSY-ONGXEEELSA-N 1 0 236.271 1.951 20 5 BDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CC23CC3)c1 ZINC001346237946 957480674 /nfs/dbraw/zinc/48/06/74/957480674.db2.gz TUDBKXJGYSKYSI-RYUDHWBXSA-N 1 0 248.282 1.770 20 5 BDBDRO C[NH2+]CCNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001167726426 960248761 /nfs/dbraw/zinc/24/87/61/960248761.db2.gz XRDPLNWZYMBHHY-UHFFFAOYSA-N 1 0 235.247 1.102 20 5 BDBDRO C[NH2+]CCNc1cc([N+](=O)[O-])cc(F)c1C ZINC001167726820 960248998 /nfs/dbraw/zinc/24/89/98/960248998.db2.gz MUMWGAJYBRZBJI-UHFFFAOYSA-N 1 0 227.239 1.674 20 5 BDBDRO C[NH+]1CCC(O[C@H](C[N+](=O)[O-])C2CC2)CC1 ZINC001222503975 972530178 /nfs/dbraw/zinc/53/01/78/972530178.db2.gz LVIMELZLHLKGBU-LLVKDONJSA-N 1 0 228.292 1.153 20 5 BDBDRO [NH3+][C@@H]1CCC[C@H](Nc2cccc([N+](=O)[O-])n2)C1 ZINC001154975128 962925294 /nfs/dbraw/zinc/92/52/94/962925294.db2.gz HAVWYFXHRZHJFI-BDAKNGLRSA-N 1 0 236.275 1.672 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(N)nc1 ZINC001226780318 963346974 /nfs/dbraw/zinc/34/69/74/963346974.db2.gz ZGEXLEZDZYRGEN-SECBINFHSA-N 1 0 210.301 1.137 20 5 BDBDRO O=[N+]([O-])c1ccnc(N[C@H]2C[NH2+]CC[C@H]2F)c1 ZINC001157445423 963609411 /nfs/dbraw/zinc/60/94/11/963609411.db2.gz IYUZKYIQVKKUSI-BDAKNGLRSA-N 1 0 240.238 1.102 20 5 BDBDRO C[C@@H]([NH3+])c1ccn(-c2cc([N+](=O)[O-])ccn2)n1 ZINC001158346336 963851791 /nfs/dbraw/zinc/85/17/91/963851791.db2.gz XHYATKOYAQYHQI-SSDOTTSWSA-N 1 0 233.231 1.195 20 5 BDBDRO COc1cnc(NCC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001159773019 964187802 /nfs/dbraw/zinc/18/78/02/964187802.db2.gz QXGCUDFHTRGTBQ-SSDOTTSWSA-N 1 0 240.263 1.148 20 5 BDBDRO COc1ccc([C@H](C)OCC[N+](C)(C)C)cn1 ZINC001224775153 964938797 /nfs/dbraw/zinc/93/87/97/964938797.db2.gz JMQRIPDAYYRJAX-NSHDSACASA-N 1 0 239.339 1.874 20 5 BDBDRO C[C@@H](Cc1ccco1)OCC[N+](C)(C)C ZINC001224775794 964938979 /nfs/dbraw/zinc/93/89/79/964938979.db2.gz PIZZYLRQGRGRPT-NSHDSACASA-N 1 0 212.313 1.933 20 5 BDBDRO Cc1c(C)c(N(C)CC[NH3+])ncc1[N+](=O)[O-] ZINC001163688244 965505386 /nfs/dbraw/zinc/50/53/86/965505386.db2.gz 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1.153 20 5 BDBDRO C[N@H+]([C@@H]1CCOC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038122 969357332 /nfs/dbraw/zinc/35/73/32/969357332.db2.gz VVYCKIJGPQZIQC-HBNTYKKESA-N 1 0 228.292 1.153 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2ccc3c2CC[NH2+]C3)C1 ZINC001169047465 969366320 /nfs/dbraw/zinc/36/63/20/969366320.db2.gz RDNYTONFMNFAAY-ZYHUDNBSSA-N 1 0 249.314 1.752 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H]2CO3)C1 ZINC001169053890 969371412 /nfs/dbraw/zinc/37/14/12/969371412.db2.gz JZCNXSPKJXRHOK-DDHJBXDOSA-N 1 0 240.303 1.295 20 5 BDBDRO Cc1[nH+]cn(-c2ccc(N)c([N+](=O)[O-])c2)c1N ZINC001209934501 969697140 /nfs/dbraw/zinc/69/71/40/969697140.db2.gz ISIIARAYAYNUOO-UHFFFAOYSA-N 1 0 233.231 1.253 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@H]1F)C2 ZINC001254575143 969739601 /nfs/dbraw/zinc/73/96/01/969739601.db2.gz PALNYSFRONLDJQ-YUSALJHKSA-N 1 0 236.246 1.762 20 5 BDBDRO CCC(=O)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581093 969741703 /nfs/dbraw/zinc/74/17/03/969741703.db2.gz KCEQVSVHYQTEOV-LLVKDONJSA-N 1 0 248.282 1.631 20 5 BDBDRO CC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)COC1 ZINC001254581739 969744010 /nfs/dbraw/zinc/74/40/10/969744010.db2.gz LWLWRVPOPHYIIS-LLVKDONJSA-N 1 0 248.282 1.441 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCc1cccnn1 ZINC001222993651 972787322 /nfs/dbraw/zinc/78/73/22/972787322.db2.gz WRHWWAUICHUPRI-JTQLQIEISA-N 1 0 210.301 1.088 20 5 BDBDRO Cc1c(F)cnc(NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC001171188235 972834326 /nfs/dbraw/zinc/83/43/26/972834326.db2.gz BDKUZEXAIGRYQE-UHFFFAOYSA-N 1 0 242.254 1.587 20 5 BDBDRO CC[C@@H](C)COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224664174 973838168 /nfs/dbraw/zinc/83/81/68/973838168.db2.gz NTIXZOFLBQHZPR-GHMZBOCLSA-N 1 0 232.344 1.033 20 5 BDBDRO COC(C)(C)C[C@@H](C)OCC[N+](C)(C)C ZINC001224774808 973942460 /nfs/dbraw/zinc/94/24/60/973942460.db2.gz XPPQGACNUOQGGH-LLVKDONJSA-N 1 0 218.361 1.913 20 5 BDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001330082333 974098591 /nfs/dbraw/zinc/09/85/91/974098591.db2.gz PABRZLBKAAOLPS-BKDNQFJXSA-N 1 0 247.254 1.141 20 5 BDBDRO C[N@@H+]1CC[C@@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226006751 974760773 /nfs/dbraw/zinc/76/07/73/974760773.db2.gz HGNOPHLERRYHFW-MRVPVSSYSA-N 1 0 240.234 1.817 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2c1CCC2 ZINC001226381721 974872799 /nfs/dbraw/zinc/87/27/99/974872799.db2.gz PIQPGVXUSDPYGP-SNVBAGLBSA-N 1 0 236.339 1.439 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1O[C@H](C)C[NH+](C)C ZINC001226762111 975063017 /nfs/dbraw/zinc/06/30/17/975063017.db2.gz QOLJRQDBGCDFHA-SECBINFHSA-N 1 0 239.275 1.627 20 5 BDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1COC1 ZINC001173213505 975078291 /nfs/dbraw/zinc/07/82/91/975078291.db2.gz FVLHYBKVSPDADU-VIFPVBQESA-N 1 0 236.271 1.514 20 5 BDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC([NH3+])C1 ZINC001173214221 975080265 /nfs/dbraw/zinc/08/02/65/975080265.db2.gz NMALTQOJEOYZCB-VIFPVBQESA-N 1 0 235.287 1.169 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cc[nH]c(=S)n1 ZINC001226940428 975159893 /nfs/dbraw/zinc/15/98/93/975159893.db2.gz QYGUVKXVWZIVOV-MRVPVSSYSA-O 1 0 228.341 1.239 20 5 BDBDRO C[C@H](C[NH+](C)C)Oc1cncc([N+](=O)[O-])c1 ZINC001227986780 975834199 /nfs/dbraw/zinc/83/41/99/975834199.db2.gz DATZZJZUSHNNMW-MRVPVSSYSA-N 1 0 225.248 1.319 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cncc([N+](=O)[O-])c1 ZINC001227991576 975836453 /nfs/dbraw/zinc/83/64/53/975836453.db2.gz YKGKMSSZACNJHE-SECBINFHSA-N 1 0 240.283 1.463 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2n[nH]nc2c1 ZINC001228662052 976418097 /nfs/dbraw/zinc/41/80/97/976418097.db2.gz BMYPEQPKVPNPCN-VIFPVBQESA-N 1 0 235.311 1.431 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c2cnccc21 ZINC001228988994 976613132 /nfs/dbraw/zinc/61/31/32/976613132.db2.gz DCJDONRCNCAVNA-VIFPVBQESA-N 1 0 235.311 1.431 20 5 BDBDRO Nc1c[nH+]cn1-c1ccc([N+](=O)[O-])cc1 ZINC001174476685 976797042 /nfs/dbraw/zinc/79/70/42/976797042.db2.gz CEEBCDDKMMUBPJ-UHFFFAOYSA-N 1 0 204.189 1.363 20 5 BDBDRO Cc1cc(=O)cc(O[C@H](C)C[N+](C)(C)C)o1 ZINC001230898703 977368466 /nfs/dbraw/zinc/36/84/66/977368466.db2.gz SZKHJBMQFVGYBM-SNVBAGLBSA-N 1 0 226.296 1.422 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCCOc1ccccc1 ZINC001336136652 977530393 /nfs/dbraw/zinc/53/03/93/977530393.db2.gz SMHQCOLJOCWVIB-UHFFFAOYSA-N 1 0 238.287 1.712 20 5 BDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC001336819747 977982808 /nfs/dbraw/zinc/98/28/08/977982808.db2.gz GOTOLRUAISXZNZ-ZYHUDNBSSA-N 1 0 238.287 1.149 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc(Cl)n1 ZINC001234537761 978859057 /nfs/dbraw/zinc/85/90/57/978859057.db2.gz MDBJILDRAXQXDT-QMMMGPOBSA-N 1 0 230.719 1.604 20 5 BDBDRO C[C@H]1CC[N@H+](CC[N+](=O)[O-])CCS1 ZINC001341359082 979352855 /nfs/dbraw/zinc/35/28/55/979352855.db2.gz IGHRYKOUKNSMKZ-QMMMGPOBSA-N 1 0 204.295 1.091 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC001353331498 982839336 /nfs/dbraw/zinc/83/93/36/982839336.db2.gz WZGKEDHHRUUVBO-WDEREUQCSA-N 1 0 228.292 1.058 20 5 BDBDRO CC1(C)CCC[C@@](O)(C[NH2+]CC[N+](=O)[O-])CC1 ZINC001353375747 982850636 /nfs/dbraw/zinc/85/06/36/982850636.db2.gz FZYVZVNUFDQKCK-LBPRGKRZSA-N 1 0 244.335 1.574 20 5 BDBDRO Cc1cc(N2CC[NH2+][C@H]3C[C@H]32)ccc1[N+](=O)[O-] ZINC001579623982 984297381 /nfs/dbraw/zinc/29/73/81/984297381.db2.gz PFAPHSWHSHJLEC-CMPLNLGQSA-N 1 0 233.271 1.454 20 5 BDBDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000688044031 985511876 /nfs/dbraw/zinc/51/18/76/985511876.db2.gz MIPBPHVUCDPJPH-JOYOIKCWSA-N 1 0 236.271 1.719 20 5 BDBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000688049049 985530910 /nfs/dbraw/zinc/53/09/10/985530910.db2.gz PFLOLAOFWISSIG-MWLCHTKSSA-N 1 0 236.271 1.719 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC=CC12CCCCC2 ZINC001460982057 985978145 /nfs/dbraw/zinc/97/81/45/985978145.db2.gz PNWUYAIJROXFHI-UHFFFAOYSA-N 1 0 210.277 1.838 20 5 BDBDRO Cc1c(CNC[C@H]2CC[NH2+]2)cccc1[N+](=O)[O-] ZINC001579534257 986074983 /nfs/dbraw/zinc/07/49/83/986074983.db2.gz ATSPKGNWRMTDMX-LLVKDONJSA-N 1 0 235.287 1.355 20 5 BDBDRO CC[C@@H]([NH3+])C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246319969 987724129 /nfs/dbraw/zinc/72/41/29/987724129.db2.gz XALLXQSAEHWLTK-VXGBXAGGSA-N 1 0 249.314 1.389 20 5 BDBDRO [NH3+][C@H]1C[C@@H](CN2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001120371016 989640925 /nfs/dbraw/zinc/64/09/25/989640925.db2.gz MQIIRUZKYOJFOR-WVSHTKLVSA-N 1 0 247.298 1.648 20 5 BDBDRO Cc1ccc(C(=O)NCC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC001122349879 990352033 /nfs/dbraw/zinc/35/20/33/990352033.db2.gz XNYNWMQYHWUWIL-UHFFFAOYSA-N 1 0 249.270 1.124 20 5 BDBDRO CCC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC001262259133 992822996 /nfs/dbraw/zinc/82/29/96/992822996.db2.gz BQKJDQDHQFFVHW-JTQLQIEISA-N 1 0 200.282 1.918 20 5 BDBDRO CCO[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C1(CC)CC ZINC001262262451 992827675 /nfs/dbraw/zinc/82/76/75/992827675.db2.gz OMELLJHGCQDTRC-WDEREUQCSA-N 1 0 244.335 1.837 20 5 BDBDRO O=[N+]([O-])c1cc(F)c(F)cc1O[C@H]1CC[NH2+]C1 ZINC000379871570 993289910 /nfs/dbraw/zinc/28/99/10/993289910.db2.gz YFYJNICBSXJJGE-LURJTMIESA-N 1 0 244.197 1.614 20 5 BDBDRO Cc1cc(N2CCC[C@@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000131991310 178114781 /nfs/dbraw/zinc/11/47/81/178114781.db2.gz YATANFIOUXXZMB-SECBINFHSA-N 1 0 236.275 1.226 20 5 BDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccccc1[N+](=O)[O-] ZINC000086466620 398209667 /nfs/dbraw/zinc/20/96/67/398209667.db2.gz FGCFBSGDSIQCRH-WDEREUQCSA-N 1 0 249.314 1.777 20 5 BDBDRO Cc1cc(NC[C@@H]2CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000092027595 178167613 /nfs/dbraw/zinc/16/76/13/178167613.db2.gz YDJVCGBCGGATTN-VIFPVBQESA-N 1 0 236.275 1.462 20 5 BDBDRO Cc1cc(N[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000092027694 178189485 /nfs/dbraw/zinc/18/94/85/178189485.db2.gz RBZJRMJAEQZXJG-VIFPVBQESA-N 1 0 236.275 1.462 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCO ZINC000183226022 178271063 /nfs/dbraw/zinc/27/10/63/178271063.db2.gz AWYIHKCFJGXVMF-UHFFFAOYSA-N 1 0 224.260 1.327 20 5 BDBDRO CC[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602487142 349568938 /nfs/dbraw/zinc/56/89/38/349568938.db2.gz UJVAAJWMZAYPCI-VIFPVBQESA-N 1 0 238.291 1.560 20 5 BDBDRO O=[N+]([O-])c1cn(Cc2nccn2C(F)F)cn1 ZINC000298454998 398276178 /nfs/dbraw/zinc/27/61/78/398276178.db2.gz RMDUNQSJUIHLDP-UHFFFAOYSA-N 1 0 243.173 1.431 20 5 BDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000078104422 398308662 /nfs/dbraw/zinc/30/86/62/398308662.db2.gz OPMGIBYWWOGDLG-VIFPVBQESA-N 1 0 237.259 1.062 20 5 BDBDRO COc1cccc(NCCCC[NH3+])c1[N+](=O)[O-] ZINC000134894113 342920594 /nfs/dbraw/zinc/92/05/94/342920594.db2.gz FXRORBBCIOTLOT-UHFFFAOYSA-N 1 0 239.275 1.754 20 5 BDBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602788418 349751380 /nfs/dbraw/zinc/75/13/80/349751380.db2.gz PIFAEHYUNYIBGB-DTORHVGOSA-N 1 0 238.291 1.701 20 5 BDBDRO COC[C@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000045657048 343532286 /nfs/dbraw/zinc/53/22/86/343532286.db2.gz ZPRLWVARKPHXMR-SNVBAGLBSA-N 1 0 238.287 1.967 20 5 BDBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000038088052 343942575 /nfs/dbraw/zinc/94/25/75/343942575.db2.gz RXTBUQYROXYBIK-SNVBAGLBSA-N 1 0 237.303 1.635 20 5 BDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000022211795 343929115 /nfs/dbraw/zinc/92/91/15/343929115.db2.gz PIGGJYJROHOKIN-UHFFFAOYSA-N 1 0 249.270 1.030 20 5 BDBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])s1 ZINC000610469411 343963973 /nfs/dbraw/zinc/96/39/73/343963973.db2.gz FWUPZXDCDUITSH-UHFFFAOYSA-N 1 0 229.305 1.654 20 5 BDBDRO Cc1cc(OCC2C[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000310164629 344248845 /nfs/dbraw/zinc/24/88/45/344248845.db2.gz MVIAPLISANEDCU-UHFFFAOYSA-N 1 0 240.234 1.641 20 5 BDBDRO COC[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000044478306 345089999 /nfs/dbraw/zinc/08/99/99/345089999.db2.gz BQKIGXDZZUODSR-SNVBAGLBSA-N 1 0 238.287 1.967 20 5 BDBDRO Cc1cc(N(C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000080685222 345431403 /nfs/dbraw/zinc/43/14/03/345431403.db2.gz ROUPDNDKZCILIH-UHFFFAOYSA-N 1 0 238.291 1.296 20 5 BDBDRO Cc1cnc(N2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000203535529 345731512 /nfs/dbraw/zinc/73/15/12/345731512.db2.gz KYTHIHKQJUAHAS-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO O=[N+]([O-])c1ncccc1N1CC([NH+]2CCCC2)C1 ZINC000601194313 346612345 /nfs/dbraw/zinc/61/23/45/346612345.db2.gz YJUPMHDUAATOJM-UHFFFAOYSA-N 1 0 248.286 1.274 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH3+])C1 ZINC000050228586 179206333 /nfs/dbraw/zinc/20/63/33/179206333.db2.gz SXCVCHMEKLTOMP-VIFPVBQESA-N 1 0 249.270 1.076 20 5 BDBDRO C[C@H]1C[NH2+]C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000401650339 347483294 /nfs/dbraw/zinc/48/32/94/347483294.db2.gz PEEXQRJVKRDTBW-PWSUYJOCSA-N 1 0 249.314 1.682 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOC1 ZINC000591641860 347682460 /nfs/dbraw/zinc/68/24/60/347682460.db2.gz MFUYSHJNGWGDNF-LLVKDONJSA-N 1 0 236.271 1.782 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)CCF ZINC000593689258 347927591 /nfs/dbraw/zinc/92/75/91/347927591.db2.gz MXOWPIUXNBWEHD-JTQLQIEISA-N 1 0 242.250 1.405 20 5 BDBDRO [NH3+]C1(CNCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000594739293 348110414 /nfs/dbraw/zinc/11/04/14/348110414.db2.gz TXSWUVFNDUXVNG-UHFFFAOYSA-N 1 0 249.314 1.956 20 5 BDBDRO Cc1noc(C[N@H+]2C[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595331991 348228148 /nfs/dbraw/zinc/22/81/48/348228148.db2.gz AWIFFRHZTKVPCD-OCAPTIKFSA-N 1 0 239.275 1.979 20 5 BDBDRO Cc1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595924026 348401725 /nfs/dbraw/zinc/40/17/25/348401725.db2.gz FTDAFTWXUZKSFA-KYZUINATSA-N 1 0 249.270 1.579 20 5 BDBDRO COc1cccc([N+](=O)[O-])c1NC[C@H](C)[NH3+] ZINC000596012750 348429540 /nfs/dbraw/zinc/42/95/40/348429540.db2.gz ADRAPKXMCUTFPZ-ZETCQYMHSA-N 1 0 225.248 1.363 20 5 BDBDRO COc1cccc([N+](=O)[O-])c1N[C@H](C)[C@@H](C)[NH3+] ZINC000596013585 348430003 /nfs/dbraw/zinc/43/00/03/348430003.db2.gz IEDXCCPMNDQDAO-HTQZYQBOSA-N 1 0 239.275 1.751 20 5 BDBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000596014639 348430431 /nfs/dbraw/zinc/43/04/31/348430431.db2.gz TVRNVMSIKAHXCC-VROVMSAKSA-N 1 0 249.270 1.233 20 5 BDBDRO C[C@@H](O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000597235576 348701301 /nfs/dbraw/zinc/70/13/01/348701301.db2.gz ZZVBIMOTLODCDD-SECBINFHSA-N 1 0 236.271 1.598 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1 ZINC000599006145 349074484 /nfs/dbraw/zinc/07/44/84/349074484.db2.gz DMWOBHYCGMOBQE-KLPPZKSPSA-N 1 0 236.271 1.455 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[C@@H](O)C2)cs1 ZINC000599006414 349074736 /nfs/dbraw/zinc/07/47/36/349074736.db2.gz HZHSXSWFGHXJMK-OTSSQURYSA-N 1 0 242.300 1.517 20 5 BDBDRO CN(CCC[NH3+])C(=O)c1ccccc1[N+](=O)[O-] ZINC000122210039 362944999 /nfs/dbraw/zinc/94/49/99/362944999.db2.gz KCCXTTBZBLTNEU-UHFFFAOYSA-N 1 0 237.259 1.016 20 5 BDBDRO Cc1nn(CC[C@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000396678285 349426309 /nfs/dbraw/zinc/42/63/09/349426309.db2.gz MEAFOQBUVSEUQM-SNVBAGLBSA-N 1 0 238.291 1.408 20 5 BDBDRO Cc1nc(NC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000124106033 180019589 /nfs/dbraw/zinc/01/95/89/180019589.db2.gz IJFPGOOWJSXQGM-SECBINFHSA-N 1 0 236.275 1.462 20 5 BDBDRO CCN(CC[NH3+])[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000305952876 350163183 /nfs/dbraw/zinc/16/31/83/350163183.db2.gz HRFRTJPILVGBCX-SNVBAGLBSA-N 1 0 237.303 1.936 20 5 BDBDRO CC(C)[C@H](O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000123927481 191076056 /nfs/dbraw/zinc/07/60/56/191076056.db2.gz SHGCWCFIUXLZLO-SECBINFHSA-N 1 0 244.316 1.763 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH3+])C1 ZINC000050227747 350315271 /nfs/dbraw/zinc/31/52/71/350315271.db2.gz OOVQKXQTPRALES-ONGXEEELSA-N 1 0 235.287 1.689 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1OC[C@@H]1CC[NH2+]C1 ZINC000051890681 350549316 /nfs/dbraw/zinc/54/93/16/350549316.db2.gz QZYSKDXHWQYQEW-SNVBAGLBSA-N 1 0 236.271 1.892 20 5 BDBDRO CCN(Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000331074597 350729031 /nfs/dbraw/zinc/72/90/31/350729031.db2.gz UUPQGQSBKBGQRS-UHFFFAOYSA-N 1 0 226.280 1.559 20 5 BDBDRO Cc1c(C[NH2+][C@H](C)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000231885602 351433444 /nfs/dbraw/zinc/43/34/44/351433444.db2.gz VEGBMRYUPRUHCW-NXEZZACHSA-N 1 0 238.287 1.762 20 5 BDBDRO [NH3+][C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430601154 191694105 /nfs/dbraw/zinc/69/41/05/191694105.db2.gz IXYLLPRFYZADBF-MRVPVSSYSA-N 1 0 239.250 1.267 20 5 BDBDRO C[C@@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000035112431 355823295 /nfs/dbraw/zinc/82/32/95/355823295.db2.gz XJYJOXIBDHCEMH-MRVPVSSYSA-N 1 0 210.233 1.065 20 5 BDBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297416 356210470 /nfs/dbraw/zinc/21/04/70/356210470.db2.gz BUVYXBLZPFTAFR-VIFPVBQESA-N 1 0 236.275 1.353 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H]([NH3+])C1 ZINC000420299400 192207788 /nfs/dbraw/zinc/20/77/88/192207788.db2.gz TZNATWNMPRBLKP-MNOVXSKESA-N 1 0 249.314 1.997 20 5 BDBDRO CN(CC[NH3+])Cc1c(F)cccc1[N+](=O)[O-] ZINC000420376429 192232442 /nfs/dbraw/zinc/23/24/42/192232442.db2.gz JVQFYZLVQWGTQQ-UHFFFAOYSA-N 1 0 227.239 1.124 20 5 BDBDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422949402 192523993 /nfs/dbraw/zinc/52/39/93/192523993.db2.gz UBAPSJIBMMPPFF-JQWIXIFHSA-N 1 0 249.314 1.682 20 5 BDBDRO Cc1ccc(CN2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000346635677 357119227 /nfs/dbraw/zinc/11/92/27/357119227.db2.gz HLGWPMWIIZNTKD-NSHDSACASA-N 1 0 235.287 1.436 20 5 BDBDRO CCO[C@H]1C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000583182633 357511091 /nfs/dbraw/zinc/51/10/91/357511091.db2.gz HVLJWHHDSMSZKA-NEPJUHHUSA-N 1 0 236.271 1.862 20 5 BDBDRO C[C@@H]([NH2+]C[C@H](C)O)c1ccc([N+](=O)[O-])cc1 ZINC000035601393 358002318 /nfs/dbraw/zinc/00/23/18/358002318.db2.gz UYSITTSMCYCVPO-DTWKUNHWSA-N 1 0 224.260 1.626 20 5 BDBDRO Cc1cc(N[C@H](C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000168933419 134248737 /nfs/dbraw/zinc/24/87/37/134248737.db2.gz JKDFHZWEBRPDNA-SECBINFHSA-N 1 0 238.291 1.660 20 5 BDBDRO COCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677536 358088633 /nfs/dbraw/zinc/08/86/33/358088633.db2.gz KBHOGTDSDDBHJR-UHFFFAOYSA-N 1 0 224.260 1.373 20 5 BDBDRO Cc1c(CN[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000218786131 134260034 /nfs/dbraw/zinc/26/00/34/134260034.db2.gz ZOBVGFZTYRHZRK-LLVKDONJSA-N 1 0 235.287 1.355 20 5 BDBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000054128156 359398195 /nfs/dbraw/zinc/39/81/95/359398195.db2.gz VPQCSGYZDHFCAL-UHFFFAOYSA-N 1 0 238.291 1.742 20 5 BDBDRO C[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000079511364 370667586 /nfs/dbraw/zinc/66/75/86/370667586.db2.gz UCDQVRCZDZJEMO-GFCCVEGCSA-N 1 0 249.270 1.675 20 5 BDBDRO [NH3+]C1(CNc2ccccc2[N+](=O)[O-])CCC1 ZINC000236192313 181331670 /nfs/dbraw/zinc/33/16/70/181331670.db2.gz SNTOQYXNXDKSGB-UHFFFAOYSA-N 1 0 221.260 1.888 20 5 BDBDRO [NH3+]C1(CNc2ncc([N+](=O)[O-])s2)CCC1 ZINC000236199070 181332015 /nfs/dbraw/zinc/33/20/15/181332015.db2.gz XXESHUXZNSPRMX-UHFFFAOYSA-N 1 0 228.277 1.345 20 5 BDBDRO O=C(C[NH2+]CC1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000037612114 364295729 /nfs/dbraw/zinc/29/57/29/364295729.db2.gz PXPADYKMDUOMIK-UHFFFAOYSA-N 1 0 249.270 1.533 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCOC1 ZINC000037738379 364559270 /nfs/dbraw/zinc/55/92/70/364559270.db2.gz AYIZDKZABOCNKF-SNVBAGLBSA-N 1 0 236.271 1.721 20 5 BDBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])cn1 ZINC000057839448 368501904 /nfs/dbraw/zinc/50/19/04/368501904.db2.gz CLMRWLGXYJHQRT-UHFFFAOYSA-N 1 0 238.291 1.790 20 5 BDBDRO [NH3+]C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000050249449 181464658 /nfs/dbraw/zinc/46/46/58/181464658.db2.gz FNSUIAOSBYPRTC-SECBINFHSA-N 1 0 221.260 1.380 20 5 BDBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401953448 369375022 /nfs/dbraw/zinc/37/50/22/369375022.db2.gz WENJHRWEMBZNBP-GXSJLCMTSA-N 1 0 236.271 1.862 20 5 BDBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000404763886 369436185 /nfs/dbraw/zinc/43/61/85/369436185.db2.gz FBXKPQCWKJNTPD-RYUDHWBXSA-N 1 0 249.314 1.810 20 5 BDBDRO Cc1ccc(NC(=O)CCC[NH3+])cc1[N+](=O)[O-] ZINC000019488997 371153930 /nfs/dbraw/zinc/15/39/30/371153930.db2.gz NTLIAONYQMKHHC-UHFFFAOYSA-N 1 0 237.259 1.581 20 5 BDBDRO Cc1ccc([C@H](C)[NH2+]CCCO)cc1[N+](=O)[O-] ZINC000020188591 371241766 /nfs/dbraw/zinc/24/17/66/371241766.db2.gz YMVCSOOSRBZFFJ-JTQLQIEISA-N 1 0 238.287 1.936 20 5 BDBDRO C[C@H]1C[C@@H]([NH3+])CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000601328893 371747272 /nfs/dbraw/zinc/74/72/72/371747272.db2.gz BUDAUDDDOMENRN-CMPLNLGQSA-N 1 0 249.314 1.559 20 5 BDBDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1ccccc1[N+](=O)[O-] ZINC000601329856 371747786 /nfs/dbraw/zinc/74/77/86/371747786.db2.gz NKTGFWBJZGPZBD-KOLCDFICSA-N 1 0 235.287 1.516 20 5 BDBDRO C[C@@H]1C[C@H]([NH3+])CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000601328895 371748423 /nfs/dbraw/zinc/74/84/23/371748423.db2.gz BUDAUDDDOMENRN-PWSUYJOCSA-N 1 0 249.314 1.559 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C/C=C\CO)cc1 ZINC000602709932 371833036 /nfs/dbraw/zinc/83/30/36/371833036.db2.gz KTYHZASRCJYYNB-UPHRSURJSA-N 1 0 236.271 1.275 20 5 BDBDRO CC[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171646775 372718073 /nfs/dbraw/zinc/71/80/73/372718073.db2.gz HKXXQMKPUZGJRL-LLVKDONJSA-N 1 0 238.287 1.798 20 5 BDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[NH2+]1 ZINC000082259295 182371913 /nfs/dbraw/zinc/37/19/13/182371913.db2.gz RUOXBIQIXYSLJM-NSHDSACASA-N 1 0 249.270 1.675 20 5 BDBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCC[NH2+]1 ZINC000053255105 182925125 /nfs/dbraw/zinc/92/51/25/182925125.db2.gz MAVYPDRIMUMEFK-SECBINFHSA-N 1 0 239.250 1.898 20 5 BDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ncc[nH]1 ZINC000266157208 182949145 /nfs/dbraw/zinc/94/91/45/182949145.db2.gz MNYILEFOJKQAMK-UHFFFAOYSA-N 1 0 246.270 1.650 20 5 BDBDRO C[C@H](CC[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000310178573 383989816 /nfs/dbraw/zinc/98/98/16/383989816.db2.gz VUTCZCMGQXRALT-MRVPVSSYSA-N 1 0 237.259 1.062 20 5 BDBDRO CC(C)([NH3+])CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000084163546 384241175 /nfs/dbraw/zinc/24/11/75/384241175.db2.gz SQOUKWKCIHMHQK-UHFFFAOYSA-N 1 0 237.259 1.661 20 5 BDBDRO C[C@H](O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000075776777 384338653 /nfs/dbraw/zinc/33/86/53/384338653.db2.gz YQIMERVFKQMCHB-JTQLQIEISA-N 1 0 238.287 1.798 20 5 BDBDRO C[NH+](C)CC(C)(C)Nc1ncccc1[N+](=O)[O-] ZINC000308645724 384341854 /nfs/dbraw/zinc/34/18/54/384341854.db2.gz AYBXAJGOVVJGCW-UHFFFAOYSA-N 1 0 238.291 1.742 20 5 BDBDRO C[N@H+](CCCO)CCc1ccccc1[N+](=O)[O-] ZINC000285194060 384389480 /nfs/dbraw/zinc/38/94/80/384389480.db2.gz CPAWUTJZLAWKCJ-UHFFFAOYSA-N 1 0 238.287 1.452 20 5 BDBDRO C[C@H](CCO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000097436163 384519699 /nfs/dbraw/zinc/51/96/99/384519699.db2.gz SYPUZZLGSNULPH-SNVBAGLBSA-N 1 0 238.287 1.703 20 5 BDBDRO C[C@@H](CCO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000097436162 384519940 /nfs/dbraw/zinc/51/99/40/384519940.db2.gz SYPUZZLGSNULPH-JTQLQIEISA-N 1 0 238.287 1.703 20 5 BDBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000565168647 384617052 /nfs/dbraw/zinc/61/70/52/384617052.db2.gz AHQPZNYAECSGIL-UHFFFAOYSA-N 1 0 240.307 1.949 20 5 BDBDRO C[C@H]([NH2+]CCO)c1ccccc1[N+](=O)[O-] ZINC000020596832 384624397 /nfs/dbraw/zinc/62/43/97/384624397.db2.gz BFDQDPZQUCQCJM-QMMMGPOBSA-N 1 0 210.233 1.238 20 5 BDBDRO C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261863355 384892648 /nfs/dbraw/zinc/89/26/48/384892648.db2.gz RMNZJHAHUOKKLR-MRVPVSSYSA-N 1 0 249.270 1.674 20 5 BDBDRO [NH3+][C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000236315681 385100346 /nfs/dbraw/zinc/10/03/46/385100346.db2.gz NPSZOZDTWMKZBX-LURJTMIESA-N 1 0 242.666 1.181 20 5 BDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000085357777 385144544 /nfs/dbraw/zinc/14/45/44/385144544.db2.gz HKIWDLUMGIEFSR-WDEREUQCSA-N 1 0 249.270 1.661 20 5 BDBDRO CC(=O)c1ccc(NCC[NH3+])c([N+](=O)[O-])c1 ZINC000021949739 385328283 /nfs/dbraw/zinc/32/82/83/385328283.db2.gz AJCKSASAPMTDEK-UHFFFAOYSA-N 1 0 223.232 1.168 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[NH2+]C2)c(F)c1 ZINC000052093793 385656737 /nfs/dbraw/zinc/65/67/37/385656737.db2.gz UTDMYZOBYODSRJ-ZETCQYMHSA-N 1 0 225.223 1.508 20 5 BDBDRO CC[C@@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034994748 385685115 /nfs/dbraw/zinc/68/51/15/385685115.db2.gz ACUAUCPNZAUPFC-NSHDSACASA-N 1 0 238.287 1.764 20 5 BDBDRO CN(CC(C)(C)C[NH3+])c1ccc([N+](=O)[O-])cn1 ZINC000093874671 385972664 /nfs/dbraw/zinc/97/26/64/385972664.db2.gz GHCGLCTXTZBWFP-UHFFFAOYSA-N 1 0 238.291 1.411 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCN1CCC1 ZINC000344852836 386237334 /nfs/dbraw/zinc/23/73/34/386237334.db2.gz XDSYIWLDJHVVPS-UHFFFAOYSA-N 1 0 235.287 1.390 20 5 BDBDRO [NH3+]C[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000044539810 386724788 /nfs/dbraw/zinc/72/47/88/386724788.db2.gz CPZUKKKZIGZTCR-ZDUSSCGKSA-N 1 0 249.314 1.908 20 5 BDBDRO C[C@@H](CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000088195134 386890049 /nfs/dbraw/zinc/89/00/49/386890049.db2.gz AONVLPVFUXAFEW-SECBINFHSA-N 1 0 224.260 1.313 20 5 BDBDRO Cc1ccc(CNC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414790063 387033100 /nfs/dbraw/zinc/03/31/00/387033100.db2.gz OPDXEGSFSYUTII-UHFFFAOYSA-N 1 0 249.314 1.745 20 5 BDBDRO C[NH2+]CCNCc1ccc([N+](=O)[O-])cc1F ZINC000414820736 387231018 /nfs/dbraw/zinc/23/10/18/387231018.db2.gz DAOJHSCNJIOUQH-UHFFFAOYSA-N 1 0 227.239 1.043 20 5 BDBDRO CC[NH2+]CCNCc1cccc([N+](=O)[O-])c1 ZINC000414829751 387271349 /nfs/dbraw/zinc/27/13/49/387271349.db2.gz NDSPDJKZQJVTLV-UHFFFAOYSA-N 1 0 223.276 1.294 20 5 BDBDRO C[NH2+]C[C@H](C)CNCc1cccc([N+](=O)[O-])c1 ZINC000414841456 387307530 /nfs/dbraw/zinc/30/75/30/387307530.db2.gz OITFHYRTUUPUGK-JTQLQIEISA-N 1 0 237.303 1.540 20 5 BDBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CO)cc1[N+](=O)[O-] ZINC000035602294 387374133 /nfs/dbraw/zinc/37/41/33/387374133.db2.gz OSFXOTKADJIUEH-ZJUUUORDSA-N 1 0 238.287 1.935 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000367534116 387510720 /nfs/dbraw/zinc/51/07/20/387510720.db2.gz RQGSUUNOBITCAY-XYYAHUGASA-N 1 0 248.282 1.577 20 5 BDBDRO CCC([NH3+])(CC)CNc1ccc([N+](=O)[O-])cn1 ZINC000130081696 387525174 /nfs/dbraw/zinc/52/51/74/387525174.db2.gz SXFLPAMIKXZFTH-UHFFFAOYSA-N 1 0 238.291 1.919 20 5 BDBDRO Cc1c(NC(=O)[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000054339283 387475187 /nfs/dbraw/zinc/47/51/87/387475187.db2.gz HHOYWLCTLJGUIV-SSDOTTSWSA-N 1 0 237.259 1.437 20 5 BDBDRO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000414922772 387607244 /nfs/dbraw/zinc/60/72/44/387607244.db2.gz GMRVULNVPWAWEE-GXFFZTMASA-N 1 0 249.314 1.682 20 5 BDBDRO CC[C@@H]([NH3+])CNCc1ccccc1[N+](=O)[O-] ZINC000414978478 387626485 /nfs/dbraw/zinc/62/64/85/387626485.db2.gz LWIIUYFXTJRYOJ-SNVBAGLBSA-N 1 0 223.276 1.422 20 5 BDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000246287038 388442542 /nfs/dbraw/zinc/44/25/42/388442542.db2.gz AFAOFKSTHYSENB-ZJUUUORDSA-N 1 0 238.291 1.522 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCO ZINC000272377045 388419328 /nfs/dbraw/zinc/41/93/28/388419328.db2.gz VJBYCVNYDWQUEY-JTQLQIEISA-N 1 0 238.287 1.888 20 5 BDBDRO CN(CC[NH3+])CCc1ccc([N+](=O)[O-])cc1 ZINC000054419297 388520256 /nfs/dbraw/zinc/52/02/56/388520256.db2.gz NMDPODMTVPBTMM-UHFFFAOYSA-N 1 0 223.276 1.028 20 5 BDBDRO C[C@@H](NCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000037712755 388586824 /nfs/dbraw/zinc/58/68/24/388586824.db2.gz QGHMDTLYBWEQHU-MRVPVSSYSA-N 1 0 209.249 1.204 20 5 BDBDRO C[C@H](O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774753 388754796 /nfs/dbraw/zinc/75/47/96/388754796.db2.gz PHXSYRYUNFEBDG-QMMMGPOBSA-N 1 0 242.250 1.547 20 5 BDBDRO [NH3+][C@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000422948933 388687324 /nfs/dbraw/zinc/68/73/24/388687324.db2.gz SGQRIMNAZKBFNO-RYUDHWBXSA-N 1 0 235.287 1.564 20 5 BDBDRO C[NH2+]CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423225029 388689637 /nfs/dbraw/zinc/68/96/37/388689637.db2.gz KZPYXHWXWFCVPI-SNVBAGLBSA-N 1 0 237.303 1.773 20 5 BDBDRO C[C@@H](NC[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423328052 388691653 /nfs/dbraw/zinc/69/16/53/388691653.db2.gz RWVMGNPONQGFQO-NOZJJQNGSA-N 1 0 249.314 1.983 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423450201 388693271 /nfs/dbraw/zinc/69/32/71/388693271.db2.gz SQUFZBXVPMJACC-GUBZILKMSA-N 1 0 237.303 1.981 20 5 BDBDRO C[NH+](C)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193366525 388861098 /nfs/dbraw/zinc/86/10/98/388861098.db2.gz JSCHUQUUVTUHHN-UHFFFAOYSA-N 1 0 224.264 1.151 20 5 BDBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000400550473 533450459 /nfs/dbraw/zinc/45/04/59/533450459.db2.gz XHXHWXMMNHXWHX-ZWNOBZJWSA-N 1 0 249.314 1.825 20 5 BDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH2+]CC2)c1 ZINC000083254078 132310730 /nfs/dbraw/zinc/31/07/30/132310730.db2.gz OPNPBKPQYCYBJH-UHFFFAOYSA-N 1 0 237.259 1.013 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2C[NH3+])c1 ZINC000156224036 134710882 /nfs/dbraw/zinc/71/08/82/134710882.db2.gz MQUMYMLJKCGNKS-JTQLQIEISA-N 1 0 235.287 1.831 20 5 BDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251929883 135081352 /nfs/dbraw/zinc/08/13/52/135081352.db2.gz YQRRVZXYYMYYEC-GXFFZTMASA-N 1 0 249.314 1.764 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+]C[C@@H]2C)c1 ZINC000261537513 135173792 /nfs/dbraw/zinc/17/37/92/135173792.db2.gz KDZSBYJJXGBIDR-JTQLQIEISA-N 1 0 235.287 1.701 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261544745 135185990 /nfs/dbraw/zinc/18/59/90/135185990.db2.gz ZNGPGBHYYKVSCD-NXEZZACHSA-N 1 0 235.287 1.687 20 5 BDBDRO [NH3+][C@@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261544664 135186064 /nfs/dbraw/zinc/18/60/64/135186064.db2.gz FDKXAZHWITYLEH-MRVPVSSYSA-N 1 0 239.250 1.661 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261552781 135192304 /nfs/dbraw/zinc/19/23/04/135192304.db2.gz NKEZVQBYNCYEAU-VHSXEESVSA-N 1 0 235.287 1.829 20 5 BDBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CC[NH2+]C1 ZINC000261560174 135201168 /nfs/dbraw/zinc/20/11/68/135201168.db2.gz UHGAGOKOMASESV-MRVPVSSYSA-N 1 0 239.250 1.755 20 5 BDBDRO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000261561119 135202302 /nfs/dbraw/zinc/20/23/02/135202302.db2.gz VDRAJOVVKLNBPZ-QMMMGPOBSA-N 1 0 239.250 1.532 20 5 BDBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000261581956 135222786 /nfs/dbraw/zinc/22/27/86/135222786.db2.gz QZAVZHIUHQYOFB-HBNTYKKESA-N 1 0 247.298 1.768 20 5 BDBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]12 ZINC000261581888 135222830 /nfs/dbraw/zinc/22/28/30/135222830.db2.gz QWKFTJGDHQQFIS-IVZWLZJFSA-N 1 0 248.286 1.163 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc1 ZINC000261583428 135223966 /nfs/dbraw/zinc/22/39/66/135223966.db2.gz RSTJITYZXQZWAT-KOLCDFICSA-N 1 0 248.286 1.178 20 5 BDBDRO C[C@@H]([NH3+])[C@@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000261586973 135227673 /nfs/dbraw/zinc/22/76/73/135227673.db2.gz RLFHQIFKORFSGW-RNFRBKRXSA-N 1 0 227.239 1.882 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000261595120 135234973 /nfs/dbraw/zinc/23/49/73/135234973.db2.gz XWNHZWPPFOQHCZ-BQBZGAKWSA-N 1 0 227.239 1.882 20 5 BDBDRO C[C@H]1C[NH2+]CCN1Cc1csc([N+](=O)[O-])c1 ZINC000261738566 135248966 /nfs/dbraw/zinc/24/89/66/135248966.db2.gz IFXVORSPPOQRES-QMMMGPOBSA-N 1 0 241.316 1.450 20 5 BDBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000089105852 135529369 /nfs/dbraw/zinc/52/93/69/135529369.db2.gz CEKQXYYDQMWQOR-WPRPVWTQSA-N 1 0 236.275 1.529 20 5 BDBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000163263813 397934183 /nfs/dbraw/zinc/93/41/83/397934183.db2.gz CZUKZWROTJEXNN-MNOVXSKESA-N 1 0 249.314 1.764 20 5 BDBDRO CC(C)(C)[NH2+]CCNc1ncc([N+](=O)[O-])cn1 ZINC000302174901 166632364 /nfs/dbraw/zinc/63/23/64/166632364.db2.gz WNMDCGRRMLGLHN-UHFFFAOYSA-N 1 0 239.279 1.185 20 5 BDBDRO CC1CC[NH+](CCn2cnc([N+](=O)[O-])c2)CC1 ZINC000122793189 168183429 /nfs/dbraw/zinc/18/34/29/168183429.db2.gz HZBOXSNVRJTWMP-UHFFFAOYSA-N 1 0 238.291 1.523 20 5 BDBDRO CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157343005 168183612 /nfs/dbraw/zinc/18/36/12/168183612.db2.gz VLJOCSZALOCCNJ-UHFFFAOYSA-N 1 0 238.291 1.523 20 5 BDBDRO CC[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000125697011 171010762 /nfs/dbraw/zinc/01/07/62/171010762.db2.gz XHRAIKCTXPSZFN-SNVBAGLBSA-N 1 0 238.291 1.523 20 5 BDBDRO C[NH2+]C[C@@H](C)CNc1ccccc1[N+](=O)[O-] ZINC000129519602 173364273 /nfs/dbraw/zinc/36/42/73/173364273.db2.gz IIXOTNWFRXYYIQ-SECBINFHSA-N 1 0 223.276 1.862 20 5 BDBDRO COCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368056 174335826 /nfs/dbraw/zinc/33/58/26/174335826.db2.gz NLZAOYAIOHLGPT-UHFFFAOYSA-N 1 0 244.678 1.984 20 5 BDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)O ZINC000035115129 175201278 /nfs/dbraw/zinc/20/12/78/175201278.db2.gz QYMCULBNYJBZLO-MRVPVSSYSA-N 1 0 240.259 1.074 20 5 BDBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000177879448 176171906 /nfs/dbraw/zinc/17/19/06/176171906.db2.gz AHDFZKVXOGPBML-NXEZZACHSA-N 1 0 238.291 1.522 20 5 BDBDRO C[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000353602851 176266566 /nfs/dbraw/zinc/26/65/66/176266566.db2.gz FILXQKOAYPNTEP-LLVKDONJSA-N 1 0 249.314 1.731 20 5 BDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000070075194 176304637 /nfs/dbraw/zinc/30/46/37/176304637.db2.gz JJZJYMULDSEQHN-GHMZBOCLSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339053 176307515 /nfs/dbraw/zinc/30/75/15/176307515.db2.gz HJVCSUCTHJQBFI-PWSUYJOCSA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])cn1 ZINC000216208093 176368995 /nfs/dbraw/zinc/36/89/95/176368995.db2.gz VMZUUCDBQALTOF-BDAKNGLRSA-N 1 0 236.275 1.163 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC[NH3+] ZINC000054416836 177037290 /nfs/dbraw/zinc/03/72/90/177037290.db2.gz ZMXFIEBIWCCPSW-SECBINFHSA-N 1 0 223.276 1.546 20 5 BDBDRO C[C@H]1C[NH+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000267703253 177256618 /nfs/dbraw/zinc/25/66/18/177256618.db2.gz UXMHOTIDYWEESS-UWVGGRQHSA-N 1 0 238.291 1.379 20 5 BDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)[C@@H](C)C[NH2+]1 ZINC000226766700 177286866 /nfs/dbraw/zinc/28/68/66/177286866.db2.gz XBOCZKLNVBYKRR-RQJHMYQMSA-N 1 0 242.304 1.238 20 5 BDBDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000340929676 177373613 /nfs/dbraw/zinc/37/36/13/177373613.db2.gz RTSMGQDBGYCPJR-CABZTGNLSA-N 1 0 236.271 1.550 20 5 BDBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000050228829 177562497 /nfs/dbraw/zinc/56/24/97/177562497.db2.gz OAZAYRFUVDPGJZ-SECBINFHSA-N 1 0 249.270 1.076 20 5 BDBDRO Cc1ccc(CNC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414842526 323151690 /nfs/dbraw/zinc/15/16/90/323151690.db2.gz IQQAMTVKRXTXAH-LBPRGKRZSA-N 1 0 249.314 1.745 20 5 BDBDRO COCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000531957722 323157733 /nfs/dbraw/zinc/15/77/33/323157733.db2.gz YHEZAWCQIHGJMJ-UHFFFAOYSA-N 1 0 236.271 1.863 20 5 BDBDRO C[C@H]1C[C@H](C)[NH+]1CCn1ccc([N+](=O)[O-])n1 ZINC000548097561 325429347 /nfs/dbraw/zinc/42/93/47/325429347.db2.gz PWDQDCHGIKWRTG-IUCAKERBSA-N 1 0 224.264 1.274 20 5 BDBDRO C[NH2+]CCCOc1ccc([N+](=O)[O-])c(OC)c1 ZINC000567498327 326205018 /nfs/dbraw/zinc/20/50/18/326205018.db2.gz QQVSLIWULBVIFY-UHFFFAOYSA-N 1 0 240.259 1.592 20 5 BDBDRO CCN(CC[NH3+])[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000305952875 488053750 /nfs/dbraw/zinc/05/37/50/488053750.db2.gz HRFRTJPILVGBCX-JTQLQIEISA-N 1 0 237.303 1.936 20 5 BDBDRO CCc1nc(O[C@@H](C)C[N+](C)(C)C)cc(=O)[nH]1 ZINC001226475952 974922245 /nfs/dbraw/zinc/92/22/45/974922245.db2.gz PAGAPDSGPCPSIF-VIFPVBQESA-O 1 0 240.327 1.218 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1C[C@H]1CCC[NH2+]C1 ZINC001332134809 974968071 /nfs/dbraw/zinc/96/80/71/974968071.db2.gz GEJYTBCIQZGWBB-VIFPVBQESA-N 1 0 224.264 1.099 20 5 BDBDRO CC(C)(C)[NH2+]CCNc1ncc([N+](=O)[O-])s1 ZINC000195512888 526332763 /nfs/dbraw/zinc/33/27/63/526332763.db2.gz YLYIFMZTHSEUIX-UHFFFAOYSA-N 1 0 244.320 1.851 20 5 BDBDRO C[NH2+][C@@H](C)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000261565042 536344433 /nfs/dbraw/zinc/34/44/33/536344433.db2.gz YBYGZJADZINZNT-LURJTMIESA-N 1 0 245.229 1.893 20 5 BDBDRO C[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])cc1C ZINC000261587583 536404323 /nfs/dbraw/zinc/40/43/23/536404323.db2.gz RUEBXNGPHVKPRA-SECBINFHSA-N 1 0 223.276 1.923 20 5 BDBDRO C[NH2+][C@H](C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000261586668 536404481 /nfs/dbraw/zinc/40/44/81/536404481.db2.gz RHQONSYPGOGGTL-SSDOTTSWSA-N 1 0 227.239 1.754 20 5 BDBDRO CC[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])[NH+](CC)CC ZINC000813115119 582592123 /nfs/dbraw/zinc/59/21/23/582592123.db2.gz KURSRBWXOFGJMP-VHSXEESVSA-N 1 0 246.307 1.315 20 5 BDBDRO C[N@@H+]1C[C@@H]2CCN(c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893940407 583254544 /nfs/dbraw/zinc/25/45/44/583254544.db2.gz OHWMBLKFPAERRD-GXSJLCMTSA-N 1 0 248.286 1.130 20 5 BDBDRO C[N@@H+]1C[C@H]2CCN(c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000893941708 583255416 /nfs/dbraw/zinc/25/54/16/583255416.db2.gz VORIBYADGCBUAV-MFKMUULPSA-N 1 0 247.298 1.735 20 5 BDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])cc2)C1 ZINC000893940779 583255464 /nfs/dbraw/zinc/25/54/64/583255464.db2.gz QBFYRGOZOXSOBW-GWCFXTLKSA-N 1 0 247.298 1.735 20 5 BDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)CC[N+](=O)[O-] ZINC000791051632 583383850 /nfs/dbraw/zinc/38/38/50/583383850.db2.gz HFXOBLSTUDNJGW-LLVKDONJSA-N 1 0 229.324 1.069 20 5 BDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnc[nH]1 ZINC000894300491 583415057 /nfs/dbraw/zinc/41/50/57/583415057.db2.gz ULWUZRQLKCGVNB-UHFFFAOYSA-N 1 0 246.270 1.650 20 5 BDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC000894882011 583544317 /nfs/dbraw/zinc/54/43/17/583544317.db2.gz QTPQHVWLKXNIKK-BETUJISGSA-N 1 0 247.298 1.878 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000899859472 584242684 /nfs/dbraw/zinc/24/26/84/584242684.db2.gz KHBNDODUEPWXEH-UHFFFAOYSA-N 1 0 246.213 1.654 20 5 BDBDRO CC1(C)CC(NCC[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000899855055 584243163 /nfs/dbraw/zinc/24/31/63/584243163.db2.gz APACVRCYAAKJFU-UHFFFAOYSA-N 1 0 229.324 1.162 20 5 BDBDRO CCc1ccc(C[NH2+]CC[N+](=O)[O-])s1 ZINC000899871068 584244845 /nfs/dbraw/zinc/24/48/45/584244845.db2.gz NBESCAJFDMFYLR-UHFFFAOYSA-N 1 0 214.290 1.677 20 5 BDBDRO COc1ccc(CNCC[N+](=O)[O-])cc1F ZINC000899866086 584245389 /nfs/dbraw/zinc/24/53/89/584245389.db2.gz LKPUOCMYCPVNTH-UHFFFAOYSA-N 1 0 228.223 1.201 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000899888043 584247816 /nfs/dbraw/zinc/24/78/16/584247816.db2.gz XYEJUVSQXCEDGP-WDEREUQCSA-N 1 0 210.277 1.384 20 5 BDBDRO Cc1ccc(CN[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000903960276 584828062 /nfs/dbraw/zinc/82/80/62/584828062.db2.gz BSJJZKNCNQFTBH-ZYHUDNBSSA-N 1 0 249.314 1.601 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000903965136 584834615 /nfs/dbraw/zinc/83/46/15/584834615.db2.gz XBMXQPRTZUEATD-PWSUYJOCSA-N 1 0 249.314 1.540 20 5 BDBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761076098 584908941 /nfs/dbraw/zinc/90/89/41/584908941.db2.gz HWNSWHRWBVPBLQ-LLVKDONJSA-N 1 0 249.314 1.731 20 5 BDBDRO C[NH+](C)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000742258742 585124437 /nfs/dbraw/zinc/12/44/37/585124437.db2.gz FKCDBXVFRJTQHV-UHFFFAOYSA-N 1 0 249.274 1.216 20 5 BDBDRO CC[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])[NH+](CC)CC ZINC000814039340 586612398 /nfs/dbraw/zinc/61/23/98/586612398.db2.gz NWPNNHFZBXCFDM-VHSXEESVSA-N 1 0 246.307 1.315 20 5 BDBDRO C[C@H](C[N+](=O)[O-])OC(=O)c1ccc2c[nH+]cn2c1 ZINC000814048266 586613187 /nfs/dbraw/zinc/61/31/87/586613187.db2.gz IZAHDFBBNKDDBJ-MRVPVSSYSA-N 1 0 249.226 1.156 20 5 BDBDRO C[C@H]([NH3+])Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843237908 588094939 /nfs/dbraw/zinc/09/49/39/588094939.db2.gz HWAXNVIWGBUZLL-YFKPBYRVSA-N 1 0 238.203 1.128 20 5 BDBDRO C[NH2+]CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843493544 588115823 /nfs/dbraw/zinc/11/58/23/588115823.db2.gz DTHLKFLRTIRTKQ-UHFFFAOYSA-N 1 0 249.270 1.012 20 5 BDBDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000864452606 589365801 /nfs/dbraw/zinc/36/58/01/589365801.db2.gz ORXKEDAQLHZXNN-KCJUWKMLSA-N 1 0 248.286 1.617 20 5 BDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCO ZINC000866216013 589481295 /nfs/dbraw/zinc/48/12/95/589481295.db2.gz PCOZACCDGDYTKU-QMMMGPOBSA-N 1 0 242.250 1.247 20 5 BDBDRO Cc1cnc(NC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000129303154 591276044 /nfs/dbraw/zinc/27/60/44/591276044.db2.gz TWCQNBSYWRMGRJ-SECBINFHSA-N 1 0 236.275 1.447 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000133816636 591860124 /nfs/dbraw/zinc/86/01/24/591860124.db2.gz GRZHNDXHDNJRID-MRVPVSSYSA-N 1 0 239.250 1.755 20 5 BDBDRO C[N@H+](CCCF)CCn1cc([N+](=O)[O-])cn1 ZINC000887139022 592455846 /nfs/dbraw/zinc/45/58/46/592455846.db2.gz WRRANHGQIFDKFH-UHFFFAOYSA-N 1 0 230.243 1.083 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCF ZINC000887143962 592460652 /nfs/dbraw/zinc/46/06/52/592460652.db2.gz VYCQQHZHFGOLAM-UHFFFAOYSA-N 1 0 244.270 1.391 20 5 BDBDRO C[C@@H]([NH3+])c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000124215497 592717046 /nfs/dbraw/zinc/71/70/46/592717046.db2.gz XWMYBZZAXJVECF-MRVPVSSYSA-N 1 0 247.258 1.254 20 5 BDBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]2CO)cc1 ZINC000934023788 631624582 /nfs/dbraw/zinc/62/45/82/631624582.db2.gz LQIUWKIEWPBWEE-NSHDSACASA-N 1 0 222.244 1.161 20 5 BDBDRO [NH3+]C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000044527729 632117269 /nfs/dbraw/zinc/11/72/69/632117269.db2.gz UMZJSWGGZCFTMD-NSHDSACASA-N 1 0 249.314 1.766 20 5 BDBDRO C[C@@H]([NH3+])CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000310303928 634113156 /nfs/dbraw/zinc/11/31/56/634113156.db2.gz RCBNOUHNDMQAMQ-SNVBAGLBSA-N 1 0 237.303 1.416 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000899887420 637149554 /nfs/dbraw/zinc/14/95/54/637149554.db2.gz SXYGKVOBDWAVFA-LLVKDONJSA-N 1 0 240.303 1.154 20 5 BDBDRO COc1ccccc1CC[NH2+]CC[N+](=O)[O-] ZINC000905026619 637574838 /nfs/dbraw/zinc/57/48/38/637574838.db2.gz SYJGGBVBFCDVHV-UHFFFAOYSA-N 1 0 224.260 1.104 20 5 BDBDRO CC(C)(C)SCC[NH2+]CC[N+](=O)[O-] ZINC000905090029 637589221 /nfs/dbraw/zinc/58/92/21/637589221.db2.gz RVFABLHYYKLNBN-UHFFFAOYSA-N 1 0 206.311 1.384 20 5 BDBDRO C[C@@H](COc1cccc(F)c1)[NH2+]CC[N+](=O)[O-] ZINC000905059573 637594470 /nfs/dbraw/zinc/59/44/70/637594470.db2.gz OIRXKDMILPRALC-VIFPVBQESA-N 1 0 242.250 1.459 20 5 BDBDRO COc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1F ZINC000905096475 637633638 /nfs/dbraw/zinc/63/36/38/637633638.db2.gz JTGMZFHQESPGMS-UHFFFAOYSA-N 1 0 242.250 1.243 20 5 BDBDRO COC1CCC(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905152288 637661671 /nfs/dbraw/zinc/66/16/71/637661671.db2.gz ADHVOVLRWVFZKV-UHFFFAOYSA-N 1 0 216.281 1.058 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000905189313 637668003 /nfs/dbraw/zinc/66/80/03/637668003.db2.gz HVDTUYJARIMQPX-HRDYMLBCSA-N 1 0 248.373 1.232 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000905172128 637682813 /nfs/dbraw/zinc/68/28/13/637682813.db2.gz BREUTSYXAHLNPW-LLVKDONJSA-N 1 0 242.319 1.735 20 5 BDBDRO C[C@@H]1C[C@@H](CC[NH2+]CC[N+](=O)[O-])CCO1 ZINC000905207768 637698178 /nfs/dbraw/zinc/69/81/78/637698178.db2.gz INVATLIQZPRNNH-ZJUUUORDSA-N 1 0 216.281 1.058 20 5 BDBDRO C[C@@]1(C[NH2+]CC[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000905214894 637699271 /nfs/dbraw/zinc/69/92/71/637699271.db2.gz KUARZGDENIHQQK-MNOVXSKESA-N 1 0 228.292 1.058 20 5 BDBDRO CC[C@@H](CC(F)(F)F)[NH2+]CC[N+](=O)[O-] ZINC000905215195 637700436 /nfs/dbraw/zinc/70/04/36/637700436.db2.gz ZLXWZSDQGAROAN-LURJTMIESA-N 1 0 214.187 1.584 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000905243647 637703553 /nfs/dbraw/zinc/70/35/53/637703553.db2.gz LEFDLBXPLWBBNN-HAQNSBGRSA-N 1 0 220.272 1.799 20 5 BDBDRO C[C@@H]1Oc2ccccc2[C@@H]1NCC[N+](=O)[O-] ZINC000905260884 637715235 /nfs/dbraw/zinc/71/52/35/637715235.db2.gz OVNNOWWMLWTLME-GZMMTYOYSA-N 1 0 222.244 1.375 20 5 BDBDRO CO[C@@](C)(C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905273448 637732371 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/nfs/dbraw/zinc/83/86/91/637838691.db2.gz AWZYGFFIEMAUEC-UHFFFAOYSA-N 1 0 238.287 1.162 20 5 BDBDRO O=c1[nH]cc(C[NH2+]CC[N+](=O)[O-])c2ccccc12 ZINC000905532844 637845758 /nfs/dbraw/zinc/84/57/58/637845758.db2.gz LNFSKVYUJYOOTO-UHFFFAOYSA-N 1 0 247.254 1.307 20 5 BDBDRO CC[C@H](C[NH2+]CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000905558510 637847447 /nfs/dbraw/zinc/84/74/47/637847447.db2.gz RUBLYXFIIOCCEL-SECBINFHSA-N 1 0 246.307 1.221 20 5 BDBDRO C[C@H]1CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905975247 637991945 /nfs/dbraw/zinc/99/19/45/637991945.db2.gz PYNMUXPDVVKSHW-JOYOIKCWSA-N 1 0 236.271 1.722 20 5 BDBDRO CN1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000042546755 639409508 /nfs/dbraw/zinc/40/95/08/639409508.db2.gz GIJLSUPWJXRRKL-LBPRGKRZSA-N 1 0 249.314 1.431 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000930229278 639643499 /nfs/dbraw/zinc/64/34/99/639643499.db2.gz ZFLOOLANFYMNGK-LBPRGKRZSA-N 1 0 238.287 1.367 20 5 BDBDRO C[N@@H+]1CCN(CC[N+](=O)[O-])CC12CCCCC2 ZINC000930612100 639821093 /nfs/dbraw/zinc/82/10/93/639821093.db2.gz NGVRXYQKURSFJS-UHFFFAOYSA-N 1 0 241.335 1.213 20 5 BDBDRO CN1CCC[C@H]([NH2+]CC[N+](=O)[O-])c2ccccc21 ZINC000930654144 639846451 /nfs/dbraw/zinc/84/64/51/639846451.db2.gz CGFQGVPBTNJJEQ-LBPRGKRZSA-N 1 0 249.314 1.824 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000930714334 639874918 /nfs/dbraw/zinc/87/49/18/639874918.db2.gz DENPJCLBBWVANX-NEPJUHHUSA-N 1 0 236.271 1.071 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000930745156 639892197 /nfs/dbraw/zinc/89/21/97/639892197.db2.gz RNKRUELDGSOQHW-SNVBAGLBSA-N 1 0 230.333 1.481 20 5 BDBDRO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])C1(CO)CC=CC1 ZINC000930825127 639928970 /nfs/dbraw/zinc/92/89/70/639928970.db2.gz LXABMCYLIPVJLY-NSHDSACASA-N 1 0 242.319 1.206 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000931080587 640061265 /nfs/dbraw/zinc/06/12/65/640061265.db2.gz SOJZFXSANDFGPR-QWRGUYRKSA-N 1 0 212.293 1.918 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000931079343 640062640 /nfs/dbraw/zinc/06/26/40/640062640.db2.gz OKVITELMSNJBMS-UHFFFAOYSA-N 1 0 232.283 1.884 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000931536368 640261574 /nfs/dbraw/zinc/26/15/74/640261574.db2.gz JUGNMTOGDWBPON-LBPRGKRZSA-N 1 0 242.319 1.687 20 5 BDBDRO Cc1ccccc1[C@H](CO)N(C)CC[N+](=O)[O-] ZINC000931743880 640343869 /nfs/dbraw/zinc/34/38/69/640343869.db2.gz JKZYUWMHVQPXQL-LBPRGKRZSA-N 1 0 238.287 1.237 20 5 BDBDRO C[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443413 641150367 /nfs/dbraw/zinc/15/03/67/641150367.db2.gz NQIWLMRGBOLHNY-ZETCQYMHSA-N 1 0 244.678 1.719 20 5 BDBDRO CN(c1ncc([N+](=O)[O-])cc1Cl)C1C[NH2+]C1 ZINC000234270182 641201258 /nfs/dbraw/zinc/20/12/58/641201258.db2.gz QAKIZCWIICBBDG-UHFFFAOYSA-N 1 0 242.666 1.051 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934833508 641283785 /nfs/dbraw/zinc/28/37/85/641283785.db2.gz XKBOWQZHMFEGDE-RYUDHWBXSA-N 1 0 242.319 1.402 20 5 BDBDRO CC(C)C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929761133 641487708 /nfs/dbraw/zinc/48/77/08/641487708.db2.gz AGOJXCLQUYMYIG-JTQLQIEISA-N 1 0 200.282 1.631 20 5 BDBDRO C[C@@H]1[C@@H](C)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000174960019 642642211 /nfs/dbraw/zinc/64/22/11/642642211.db2.gz JNBBFXSYUPBCQL-DTWKUNHWSA-N 1 0 224.264 1.479 20 5 BDBDRO Cc1ccccc1CN(C)CC[N+](=O)[O-] ZINC000929121217 645955221 /nfs/dbraw/zinc/95/52/21/645955221.db2.gz IZXPXAUDPNTNJY-UHFFFAOYSA-N 1 0 208.261 1.704 20 5 BDBDRO CCC(CC)[N@H+](CCOC)CC[N+](=O)[O-] ZINC000929504537 646156816 /nfs/dbraw/zinc/15/68/16/646156816.db2.gz PSAWPVXFHPLEHQ-UHFFFAOYSA-N 1 0 218.297 1.400 20 5 BDBDRO CCCO[C@@H]1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000929603085 646194727 /nfs/dbraw/zinc/19/47/27/646194727.db2.gz BUHMIKCSRGXHSV-LLVKDONJSA-N 1 0 230.308 1.544 20 5 BDBDRO CC(C)[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929669228 646232660 /nfs/dbraw/zinc/23/26/60/646232660.db2.gz UCZVZEMBKXTMMM-JTQLQIEISA-N 1 0 200.282 1.774 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724930512 711630460 /nfs/dbraw/zinc/63/04/60/711630460.db2.gz FQCZMADPYIBASQ-YXMLORGKSA-N 1 0 248.282 1.598 20 5 BDBDRO C[C@H](Cc1ccsc1)[NH2+]CC[N+](=O)[O-] ZINC000899872602 711803730 /nfs/dbraw/zinc/80/37/30/711803730.db2.gz CHYDGYPGYLXKGZ-MRVPVSSYSA-N 1 0 214.290 1.545 20 5 BDBDRO C[C@@H](Cc1ccsc1)[NH2+]CC[N+](=O)[O-] ZINC000899872603 711803798 /nfs/dbraw/zinc/80/37/98/711803798.db2.gz CHYDGYPGYLXKGZ-QMMMGPOBSA-N 1 0 214.290 1.545 20 5 BDBDRO CCCN(Cn1nccc1[N+](=O)[O-])C1CC1 ZINC000171602868 711839542 /nfs/dbraw/zinc/83/95/42/711839542.db2.gz JUIDDBMMVZETHG-UHFFFAOYSA-N 1 0 224.264 1.623 20 5 BDBDRO C[N@H+](CC[N+](=O)[O-])C1CCCCCC1 ZINC000791053803 712422242 /nfs/dbraw/zinc/42/22/42/712422242.db2.gz PRQYUNTXJSSOOT-UHFFFAOYSA-N 1 0 200.282 1.918 20 5 BDBDRO C[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000712532940 712442126 /nfs/dbraw/zinc/44/21/26/712442126.db2.gz YLAFRACREBGCEI-GWCFXTLKSA-N 1 0 249.314 1.950 20 5 BDBDRO Cc1c(C[NH2+]C[C@H]2CCN2C)cccc1[N+](=O)[O-] ZINC000712577123 712448251 /nfs/dbraw/zinc/44/82/51/712448251.db2.gz DDBYCCUYZYPADY-GFCCVEGCSA-N 1 0 249.314 1.697 20 5 BDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000715139993 712511539 /nfs/dbraw/zinc/51/15/39/712511539.db2.gz ANQVKVAKFAMGAU-DTORHVGOSA-N 1 0 249.270 1.062 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2F)C1 ZINC001168977686 969298252 /nfs/dbraw/zinc/29/82/52/969298252.db2.gz LHDMZWLEBCTNJX-LMLFDSFASA-N 1 0 246.282 1.148 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC(F)F)C1 ZINC001168958050 969306723 /nfs/dbraw/zinc/30/67/23/969306723.db2.gz LGTSCEPEOMCZKK-BQBZGAKWSA-N 1 0 208.208 1.287 20 5 BDBDRO CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964231 969314967 /nfs/dbraw/zinc/31/49/67/969314967.db2.gz SCIZVBITUWKYEJ-IRCOFANPSA-N 1 0 244.335 1.428 20 5 BDBDRO CCC[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006808 969331374 /nfs/dbraw/zinc/33/13/74/969331374.db2.gz 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230.227 1.859 20 5 BDBDRO O=[N+]([O-])c1cc2c(cc1NCC(F)F)C[NH2+]C2 ZINC001161815744 967654081 /nfs/dbraw/zinc/65/40/81/967654081.db2.gz OZRHWKBUYGIMRA-UHFFFAOYSA-N 1 0 243.213 1.875 20 5 BDBDRO CCN(CC)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168955425 969304560 /nfs/dbraw/zinc/30/45/60/969304560.db2.gz AKZFWRSEEDYBTJ-RYUDHWBXSA-N 1 0 243.351 1.363 20 5 BDBDRO CC(C)[C@H](CO)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956391 969304653 /nfs/dbraw/zinc/30/46/53/969304653.db2.gz DZXGEAYKJNOCBD-VWYCJHECSA-N 1 0 230.308 1.038 20 5 BDBDRO CC1CC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168956191 969305435 /nfs/dbraw/zinc/30/54/35/969305435.db2.gz AGGOVLLSAPJRSF-WYNUPADASA-N 1 0 212.293 1.820 20 5 BDBDRO C[C@H]([NH3+])c1nccn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956870 969306525 /nfs/dbraw/zinc/30/65/25/969306525.db2.gz CIMYLZXTYANERM-IVZWLZJFSA-N 1 0 238.291 1.521 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001168956842 969306600 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1.487 20 5 BDBDRO CO[C@H](C)C1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169042160 969362526 /nfs/dbraw/zinc/36/25/26/969362526.db2.gz DHDFALKBYYBBKO-CKYFFXLPSA-N 1 0 242.319 1.399 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001169024433 969366662 /nfs/dbraw/zinc/36/66/62/969366662.db2.gz HAYYLLRBQLTWTB-UHFZAUJKSA-N 1 0 242.294 1.864 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC(C(F)F)C2)C1 ZINC001169053553 969371739 /nfs/dbraw/zinc/37/17/39/969371739.db2.gz ILKFFDHXSIYKIT-IONNQARKSA-N 1 0 234.246 1.629 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H]2CO3)C1 ZINC001169053892 969372398 /nfs/dbraw/zinc/37/23/98/969372398.db2.gz JZCNXSPKJXRHOK-NNYUYHANSA-N 1 0 240.303 1.295 20 5 BDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC([NH3+])C1 ZINC001254534675 969729244 /nfs/dbraw/zinc/72/92/44/969729244.db2.gz AUFRBKJADMCIPF-SECBINFHSA-N 1 0 235.287 1.169 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCF)C2 ZINC001254572821 969741678 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ZINC001227299373 975359133 /nfs/dbraw/zinc/35/91/33/975359133.db2.gz QNHPZNZOZFQRLS-SNVBAGLBSA-N 1 0 238.307 1.889 20 5 BDBDRO COc1cccc(O)c1O[C@H](C)C[N+](C)(C)C ZINC001227479435 975460279 /nfs/dbraw/zinc/46/02/79/975460279.db2.gz IOYRTMZNIFUZMD-SNVBAGLBSA-O 1 0 240.323 1.874 20 5 BDBDRO COc1cccc(O)c1O[C@@H](C)C[N+](C)(C)C ZINC001227479429 975464563 /nfs/dbraw/zinc/46/45/63/975464563.db2.gz IOYRTMZNIFUZMD-JTQLQIEISA-O 1 0 240.323 1.874 20 5 BDBDRO CC(=O)c1ncccc1O[C@H](C)C[N+](C)(C)C ZINC001227982767 975826831 /nfs/dbraw/zinc/82/68/31/975826831.db2.gz IDKQPWNCNBYGEP-SNVBAGLBSA-N 1 0 237.323 1.758 20 5 BDBDRO CCc1cc(O[C@H](C)C[N+](C)(C)C)ncn1 ZINC001228294200 976075558 /nfs/dbraw/zinc/07/55/58/976075558.db2.gz RSTIOZIYOJLSNZ-SNVBAGLBSA-N 1 0 224.328 1.513 20 5 BDBDRO Cc1c(O[C@@H](C)C[N+](C)(C)C)c(=O)ccn1C ZINC001228434918 976209723 /nfs/dbraw/zinc/20/97/23/976209723.db2.gz ITKWYQVTPLGDGL-JTQLQIEISA-N 1 0 239.339 1.167 20 5 BDBDRO CC(C)[N@H+](C)CCNc1c([N+](=O)[O-])cnn1C ZINC001334139698 976328903 /nfs/dbraw/zinc/32/89/03/976328903.db2.gz FLOMKYVYXSTADC-UHFFFAOYSA-N 1 0 241.295 1.080 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cncc(O)c1 ZINC001228893616 976552761 /nfs/dbraw/zinc/55/27/61/976552761.db2.gz VPWRZVNMWXWAID-VIFPVBQESA-O 1 0 211.285 1.261 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001336063371 977473747 /nfs/dbraw/zinc/47/37/47/977473747.db2.gz UHWHRQYNRYHRTB-UHFFFAOYSA-N 1 0 220.272 1.542 20 5 BDBDRO Nc1c[nH+]cn1-c1cc([N+](=O)[O-])ccc1F ZINC001175733710 977672065 /nfs/dbraw/zinc/67/20/65/977672065.db2.gz HTGRFGPIYAHAPC-UHFFFAOYSA-N 1 0 222.179 1.502 20 5 BDBDRO Cc1nn(C[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001349112089 981509689 /nfs/dbraw/zinc/50/96/89/981509689.db2.gz ITWYCETYETVULF-SECBINFHSA-N 1 0 224.264 1.099 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC001351275721 982261598 /nfs/dbraw/zinc/26/15/98/982261598.db2.gz YYXUQPWHZDMAPU-NSHDSACASA-N 1 0 228.292 1.012 20 5 BDBDRO C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001358142460 983831187 /nfs/dbraw/zinc/83/11/87/983831187.db2.gz MOTDCNXDLOAQHI-SFYZADRCSA-N 1 0 237.259 1.119 20 5 BDBDRO Cn1ncc([N+](=O)[O-])c1NCC[NH2+]C(C)(C)C ZINC001119942028 989467706 /nfs/dbraw/zinc/46/77/06/989467706.db2.gz MUGONKVXRRVOPF-UHFFFAOYSA-N 1 0 241.295 1.128 20 5 BDBDRO O=[N+]([O-])c1ccnn1CCC1CC[NH2+]CC1 ZINC000576276909 365547062 /nfs/dbraw/zinc/54/70/62/365547062.db2.gz FKWXKHCIPJSVTR-UHFFFAOYSA-N 1 0 224.264 1.181 20 5 BDBDRO Cc1cc(NCCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228442155 178161975 /nfs/dbraw/zinc/16/19/75/178161975.db2.gz NCXLEHNOQUCURS-UHFFFAOYSA-N 1 0 247.254 1.856 20 5 BDBDRO Cc1cc(NC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000133825265 178167672 /nfs/dbraw/zinc/16/76/72/178167672.db2.gz NHVDXNRYSMGYTQ-SNVBAGLBSA-N 1 0 235.287 1.925 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C)CC1 ZINC000183207039 178271415 /nfs/dbraw/zinc/27/14/15/178271415.db2.gz RYRIFVLJWKLXTF-UHFFFAOYSA-N 1 0 249.314 1.651 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1OC[C@H]1CC[NH2+]C1 ZINC000051889135 178272899 /nfs/dbraw/zinc/27/28/99/178272899.db2.gz LVZSISXXJLBHPQ-JTQLQIEISA-N 1 0 236.271 1.892 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCO1 ZINC000054978535 398282300 /nfs/dbraw/zinc/28/23/00/398282300.db2.gz KMLUTRCPYKPODW-NSHDSACASA-N 1 0 236.271 1.863 20 5 BDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000078104424 398308742 /nfs/dbraw/zinc/30/87/42/398308742.db2.gz OPMGIBYWWOGDLG-SECBINFHSA-N 1 0 237.259 1.062 20 5 BDBDRO [NH3+]C[C@@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000133238918 398323966 /nfs/dbraw/zinc/32/39/66/398323966.db2.gz HRDUVEZLJNEHGX-VIFPVBQESA-N 1 0 241.316 1.579 20 5 BDBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000168337111 136267552 /nfs/dbraw/zinc/26/75/52/136267552.db2.gz YJPVZUODPYZAFG-MRVPVSSYSA-N 1 0 224.264 1.257 20 5 BDBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000230732639 346998686 /nfs/dbraw/zinc/99/86/86/346998686.db2.gz QMJXKFBTOCYJND-LBPRGKRZSA-N 1 0 249.270 1.077 20 5 BDBDRO CC(C)(CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000126378695 343894365 /nfs/dbraw/zinc/89/43/65/343894365.db2.gz YWFIFXNEQMWRAY-UHFFFAOYSA-N 1 0 238.287 1.703 20 5 BDBDRO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000381622262 344526689 /nfs/dbraw/zinc/52/66/89/344526689.db2.gz SKXBPIYQFNEMPP-NTSWFWBYSA-N 1 0 243.288 1.122 20 5 BDBDRO C[NH2+]CCCOc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000574914863 346412146 /nfs/dbraw/zinc/41/21/46/346412146.db2.gz NRTOYHLRSXGGHY-UHFFFAOYSA-N 1 0 239.275 1.595 20 5 BDBDRO Cc1cccc(N2C[C@@H](C)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000235369947 179124233 /nfs/dbraw/zinc/12/42/33/179124233.db2.gz FELLPLWGPMHJDW-ZJUUUORDSA-N 1 0 235.287 1.687 20 5 BDBDRO C[C@@H](NC[C@H](C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000591581455 347678757 /nfs/dbraw/zinc/67/87/57/347678757.db2.gz XBQCXFNLXCCUKJ-DTWKUNHWSA-N 1 0 223.276 1.593 20 5 BDBDRO C[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492255 348062747 /nfs/dbraw/zinc/06/27/47/348062747.db2.gz FWUIJOMYHXGDFZ-KCJUWKMLSA-N 1 0 236.271 1.553 20 5 BDBDRO C[NH2+]C[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000596107102 348440972 /nfs/dbraw/zinc/44/09/72/348440972.db2.gz QODQPOWCKKDWHC-SECBINFHSA-N 1 0 223.276 1.292 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC(C[NH+](C)C)C2)c1 ZINC000596248035 348472676 /nfs/dbraw/zinc/47/26/76/348472676.db2.gz VRWPJMBMMWRMAP-UHFFFAOYSA-N 1 0 249.314 1.901 20 5 BDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1nccn1C ZINC000596543204 348584452 /nfs/dbraw/zinc/58/44/52/348584452.db2.gz NTKQQPHKNHWJEE-MRVPVSSYSA-N 1 0 247.258 1.896 20 5 BDBDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000596653954 348607648 /nfs/dbraw/zinc/60/76/48/348607648.db2.gz MPXCCCDIIWSURM-ZJUUUORDSA-N 1 0 237.303 1.853 20 5 BDBDRO C[NH2+]C1(CNc2ncc([N+](=O)[O-])s2)CCC1 ZINC000598633412 349005039 /nfs/dbraw/zinc/00/50/39/349005039.db2.gz LZZVSUCXSUMKLP-UHFFFAOYSA-N 1 0 242.304 1.605 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1COC1 ZINC000599012257 349076250 /nfs/dbraw/zinc/07/62/50/349076250.db2.gz QMZDHPVMVHEDOZ-HYXAFXHYSA-N 1 0 248.282 1.844 20 5 BDBDRO C[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599104862 349094422 /nfs/dbraw/zinc/09/44/22/349094422.db2.gz PHORXTGBMMUVPD-OCAPTIKFSA-N 1 0 241.316 1.843 20 5 BDBDRO Cc1nc(NC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000161517570 180019236 /nfs/dbraw/zinc/01/92/36/180019236.db2.gz WZDLKKFJAKREEJ-MRVPVSSYSA-N 1 0 238.291 1.660 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCCO ZINC000050508338 350349671 /nfs/dbraw/zinc/34/96/71/350349671.db2.gz XTHSZLXZMGFMKN-JTQLQIEISA-N 1 0 238.287 1.970 20 5 BDBDRO Cc1cccc(OC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000051890686 350549338 /nfs/dbraw/zinc/54/93/38/350549338.db2.gz QWBMHYUHWNDHMU-JTQLQIEISA-N 1 0 236.271 1.892 20 5 BDBDRO [NH3+]C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000230066472 350973250 /nfs/dbraw/zinc/97/32/50/350973250.db2.gz KHMCFRZHBSQUIG-UHFFFAOYSA-N 1 0 249.270 1.206 20 5 BDBDRO O=[N+]([O-])c1cccc(OCC[C@@H]2CC[NH2+]C2)c1 ZINC000122468893 363022339 /nfs/dbraw/zinc/02/23/39/363022339.db2.gz ZUWMSDAGFJYWSH-JTQLQIEISA-N 1 0 236.271 1.973 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)C1 ZINC000072634576 351327978 /nfs/dbraw/zinc/32/79/78/351327978.db2.gz OHIDJZQBIRLFKQ-VHSXEESVSA-N 1 0 236.271 1.722 20 5 BDBDRO O=[N+]([O-])c1ccccc1OCC[C@H]1CC[NH2+]C1 ZINC000122522178 363035552 /nfs/dbraw/zinc/03/55/52/363035552.db2.gz XAFUISDURJZDPH-SNVBAGLBSA-N 1 0 236.271 1.973 20 5 BDBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000386898603 363059042 /nfs/dbraw/zinc/05/90/42/363059042.db2.gz OKQWXDAODNTXJF-JOYOIKCWSA-N 1 0 238.287 1.844 20 5 BDBDRO C[NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1F ZINC000413201189 191363135 /nfs/dbraw/zinc/36/31/35/191363135.db2.gz JRODNMVUCVJAJB-UHFFFAOYSA-N 1 0 242.254 1.539 20 5 BDBDRO [NH3+]CCCCNc1ncc([N+](=O)[O-])cc1F ZINC000420244603 192185197 /nfs/dbraw/zinc/18/51/97/192185197.db2.gz YQHXUNRVJTYGKG-UHFFFAOYSA-N 1 0 228.227 1.280 20 5 BDBDRO C[C@@H]([NH3+])CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420365811 192224232 /nfs/dbraw/zinc/22/42/32/192224232.db2.gz SRXHZRCMUBUUMZ-SNVBAGLBSA-N 1 0 249.314 1.906 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC[NH3+] ZINC000420367803 192224958 /nfs/dbraw/zinc/22/49/58/192224958.db2.gz ACJZKWBQJBOECF-JTQLQIEISA-N 1 0 237.303 1.855 20 5 BDBDRO Cc1c(NC(=O)CC[NH3+])cccc1[N+](=O)[O-] ZINC000035222600 356418921 /nfs/dbraw/zinc/41/89/21/356418921.db2.gz NXBWPISJFPNUCA-UHFFFAOYSA-N 1 0 223.232 1.191 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1([NH3+])CC1 ZINC000088130038 356531428 /nfs/dbraw/zinc/53/14/28/356531428.db2.gz OQSNNIGNGDVHRK-UHFFFAOYSA-N 1 0 235.243 1.333 20 5 BDBDRO CC[NH+](CC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000214822370 356962482 /nfs/dbraw/zinc/96/24/82/356962482.db2.gz HZXBWXZALDYKCI-UHFFFAOYSA-N 1 0 226.280 1.442 20 5 BDBDRO O=[N+]([O-])c1cccnc1N[C@H]1CCC[NH2+]C1 ZINC000040434928 357023681 /nfs/dbraw/zinc/02/36/81/357023681.db2.gz ZSTKQCMGVGQGCL-QMMMGPOBSA-N 1 0 222.248 1.154 20 5 BDBDRO CN(CC[NH+](C)C)c1ccsc1[N+](=O)[O-] ZINC000610469439 357947483 /nfs/dbraw/zinc/94/74/83/357947483.db2.gz QAAVWLDEEVNNLR-UHFFFAOYSA-N 1 0 229.305 1.654 20 5 BDBDRO CC[C@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176226715 134289786 /nfs/dbraw/zinc/28/97/86/134289786.db2.gz WVGPVFDVJDJSHM-VIFPVBQESA-N 1 0 226.280 1.522 20 5 BDBDRO CC1(C)CN(c2ncccc2[N+](=O)[O-])CC[NH2+]1 ZINC000212819097 359332352 /nfs/dbraw/zinc/33/23/52/359332352.db2.gz VPUUVKMWRZAJSU-UHFFFAOYSA-N 1 0 236.275 1.178 20 5 BDBDRO CN(C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578453434 366573244 /nfs/dbraw/zinc/57/32/44/366573244.db2.gz SNIWJNOWBDBDEU-GFCCVEGCSA-N 1 0 249.314 1.733 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCOCC2)c1 ZINC000036308524 360878531 /nfs/dbraw/zinc/87/85/31/360878531.db2.gz DKYPFCKWYFWSMT-UHFFFAOYSA-N 1 0 236.271 1.863 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCOC2)c1 ZINC000037738376 364558995 /nfs/dbraw/zinc/55/89/95/364558995.db2.gz WPEVMLZUNHPJHV-NSHDSACASA-N 1 0 236.271 1.721 20 5 BDBDRO [NH3+]CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148418888 181398389 /nfs/dbraw/zinc/39/83/89/181398389.db2.gz QQLBNOZKYCNBSR-UHFFFAOYSA-N 1 0 216.628 1.014 20 5 BDBDRO O=[N+]([O-])c1cc(F)ccc1NCC[NH+]1CCC1 ZINC000443891313 193031938 /nfs/dbraw/zinc/03/19/38/193031938.db2.gz ZXAXLLVPGZWOMF-UHFFFAOYSA-N 1 0 239.250 1.852 20 5 BDBDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000581586976 367614014 /nfs/dbraw/zinc/61/40/14/367614014.db2.gz FPBCHJLUDBXLKE-NWDGAFQWSA-N 1 0 236.271 1.862 20 5 BDBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CO1 ZINC000401952629 369375689 /nfs/dbraw/zinc/37/56/89/369375689.db2.gz VVUCSGPXUWRNEQ-GXSJLCMTSA-N 1 0 236.271 1.862 20 5 BDBDRO Cn1cc(C[NH+]2C3CCC2CC3)c([N+](=O)[O-])n1 ZINC000602434366 371803318 /nfs/dbraw/zinc/80/33/18/371803318.db2.gz DIGSXAASXPTOOQ-UHFFFAOYSA-N 1 0 236.275 1.455 20 5 BDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000602598992 371822096 /nfs/dbraw/zinc/82/20/96/371822096.db2.gz NHCQPUYYJLNUQA-WCBMZHEXSA-N 1 0 249.270 1.157 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)[C@H]1C ZINC000602832749 371845908 /nfs/dbraw/zinc/84/59/08/371845908.db2.gz QVGZMLDWWLPOEQ-RKDXNWHRSA-N 1 0 238.291 1.440 20 5 BDBDRO Cn1cc(C[N@@H+]2CC3CC2(C)C3)c([N+](=O)[O-])n1 ZINC000602903384 371855211 /nfs/dbraw/zinc/85/52/11/371855211.db2.gz RWMINAXFJVAXOJ-UHFFFAOYSA-N 1 0 236.275 1.313 20 5 BDBDRO C[C@@H]1CN(c2cccnc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000132559872 371860986 /nfs/dbraw/zinc/86/09/86/371860986.db2.gz SCBPARAAWQYGEO-DTORHVGOSA-N 1 0 236.275 1.176 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000603086702 371866749 /nfs/dbraw/zinc/86/67/49/371866749.db2.gz ICGJPWZTIPIUEF-DGCLKSJQSA-N 1 0 248.282 1.204 20 5 BDBDRO C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000604408791 371974423 /nfs/dbraw/zinc/97/44/23/371974423.db2.gz OHVMSAAGKJZSCJ-UHFFFAOYSA-N 1 0 241.316 1.798 20 5 BDBDRO COc1ccc(OCC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000306118697 371990090 /nfs/dbraw/zinc/99/00/90/371990090.db2.gz XYRBFTASWBTWTL-UHFFFAOYSA-N 1 0 238.243 1.202 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCn2ccnc2)c1 ZINC000041063670 374102661 /nfs/dbraw/zinc/10/26/61/374102661.db2.gz FKYZRFMLKRFBEQ-UHFFFAOYSA-N 1 0 246.270 1.581 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCOC2)cs1 ZINC000071012351 182922042 /nfs/dbraw/zinc/92/20/42/182922042.db2.gz AYHPDEWOXRLNDN-VIFPVBQESA-N 1 0 242.300 1.925 20 5 BDBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000050228828 383976257 /nfs/dbraw/zinc/97/62/57/383976257.db2.gz OAZAYRFUVDPGJZ-VIFPVBQESA-N 1 0 249.270 1.076 20 5 BDBDRO CC[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000135417279 384045244 /nfs/dbraw/zinc/04/52/44/384045244.db2.gz NAEVOKGTTYRBNF-UHFFFAOYSA-N 1 0 238.287 1.799 20 5 BDBDRO CCCC[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000610656498 384195389 /nfs/dbraw/zinc/19/53/89/384195389.db2.gz RODOGFRGGMDPPJ-UHFFFAOYSA-N 1 0 240.307 1.832 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]CCN2CCC2)cs1 ZINC000336667497 384252191 /nfs/dbraw/zinc/25/21/91/384252191.db2.gz FTEPTQNLTPSCAP-UHFFFAOYSA-N 1 0 241.316 1.452 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cn[nH]c2)c1 ZINC000289801089 384302425 /nfs/dbraw/zinc/30/24/25/384302425.db2.gz KYPBOHNQMSYFDK-UHFFFAOYSA-N 1 0 246.270 1.650 20 5 BDBDRO CCC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000134554576 384352975 /nfs/dbraw/zinc/35/29/75/384352975.db2.gz LFPGHBKHLAZXDT-LBPRGKRZSA-N 1 0 238.287 1.845 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC2)cc1 ZINC000070967471 384486734 /nfs/dbraw/zinc/48/67/34/384486734.db2.gz LBRPWUZIYWZXOE-SNVBAGLBSA-N 1 0 222.244 1.473 20 5 BDBDRO C[C@H](CCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000097439477 384519887 /nfs/dbraw/zinc/51/98/87/384519887.db2.gz RZVBAQQLUVKERF-SNVBAGLBSA-N 1 0 238.287 1.703 20 5 BDBDRO C[C@@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOC1 ZINC000120180771 384725201 /nfs/dbraw/zinc/72/52/01/384725201.db2.gz AVCSMOCMMDEABN-SNVBAGLBSA-N 1 0 242.300 1.925 20 5 BDBDRO C[NH+](C)C/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264666715 385083485 /nfs/dbraw/zinc/08/34/85/385083485.db2.gz XJZVITIABMIMRQ-QPJJXVBHSA-N 1 0 249.270 1.651 20 5 BDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)cn1 ZINC000338713302 385269962 /nfs/dbraw/zinc/26/99/62/385269962.db2.gz QCBFMELTNBKVFQ-UHFFFAOYSA-N 1 0 248.286 1.664 20 5 BDBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000397852074 385724610 /nfs/dbraw/zinc/72/46/10/385724610.db2.gz KIDVWUAQUMKQTH-UHFFFAOYSA-N 1 0 236.275 1.496 20 5 BDBDRO C[C@H](C[NH3+])CNCc1csc([N+](=O)[O-])c1 ZINC000414870720 385849483 /nfs/dbraw/zinc/84/94/83/385849483.db2.gz CFXLGMXAHXHQSN-SSDOTTSWSA-N 1 0 229.305 1.341 20 5 BDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC23CCC3)n1 ZINC000357937441 386202174 /nfs/dbraw/zinc/20/21/74/386202174.db2.gz WQGLVNIEGYBQSW-UHFFFAOYSA-N 1 0 236.275 1.420 20 5 BDBDRO C[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000111303129 387073616 /nfs/dbraw/zinc/07/36/16/387073616.db2.gz NWNBBIHMIHVVKD-SSDOTTSWSA-N 1 0 238.247 1.064 20 5 BDBDRO Cc1ccc(CNCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000414808863 387139451 /nfs/dbraw/zinc/13/94/51/387139451.db2.gz UNWZOKIHXUUYQT-UHFFFAOYSA-N 1 0 237.303 1.730 20 5 BDBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CO)cc1[N+](=O)[O-] ZINC000035602292 387374262 /nfs/dbraw/zinc/37/42/62/387374262.db2.gz OSFXOTKADJIUEH-UWVGGRQHSA-N 1 0 238.287 1.935 20 5 BDBDRO Cc1c(NC(=O)[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000054339281 387475567 /nfs/dbraw/zinc/47/55/67/387475567.db2.gz HHOYWLCTLJGUIV-ZETCQYMHSA-N 1 0 237.259 1.437 20 5 BDBDRO C[C@@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000414954945 387616031 /nfs/dbraw/zinc/61/60/31/387616031.db2.gz SZUDTKMAGBXHAM-PWSUYJOCSA-N 1 0 249.314 1.825 20 5 BDBDRO CC[C@H]([NH3+])CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414979649 387627498 /nfs/dbraw/zinc/62/74/98/387627498.db2.gz OASFVJYJDHGQNL-PZBABLGHSA-N 1 0 249.314 1.935 20 5 BDBDRO CC[C@H]([NH3+])CNCc1csc([N+](=O)[O-])c1 ZINC000414987313 387630809 /nfs/dbraw/zinc/63/08/09/387630809.db2.gz YUUNRADQNYXAEY-QMMMGPOBSA-N 1 0 229.305 1.483 20 5 BDBDRO Cc1ccc([C@@H](C)NC(=O)C[NH3+])cc1[N+](=O)[O-] ZINC000237589469 387721928 /nfs/dbraw/zinc/72/19/28/387721928.db2.gz IUUZIRACGZWOMJ-MRVPVSSYSA-N 1 0 237.259 1.039 20 5 BDBDRO CN(Cc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000036300868 387904966 /nfs/dbraw/zinc/90/49/66/387904966.db2.gz DQTYZJXSTVURHW-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO C[C@H]([NH2+]CCO)c1ccc([N+](=O)[O-])cc1 ZINC000037177221 388192544 /nfs/dbraw/zinc/19/25/44/388192544.db2.gz QAOQNVCJLNLBDX-QMMMGPOBSA-N 1 0 210.233 1.238 20 5 BDBDRO Cc1ccc(CN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000057525628 388361918 /nfs/dbraw/zinc/36/19/18/388361918.db2.gz SIEZBOLGQJWQTK-UHFFFAOYSA-N 1 0 235.287 1.308 20 5 BDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000122300043 388373058 /nfs/dbraw/zinc/37/30/58/388373058.db2.gz CCLWLVRMFMKIQN-NSHDSACASA-N 1 0 249.270 1.158 20 5 BDBDRO C[C@@H](O)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000227952946 388374054 /nfs/dbraw/zinc/37/40/54/388374054.db2.gz REICTVXSKPYHFR-MRVPVSSYSA-N 1 0 244.316 1.907 20 5 BDBDRO [NH3+][C@@H]1CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422948939 388687409 /nfs/dbraw/zinc/68/74/09/388687409.db2.gz SIGOSCPJKCTEQO-GHMZBOCLSA-N 1 0 235.287 1.564 20 5 BDBDRO C[C@H](N[C@@H](C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423268794 388689298 /nfs/dbraw/zinc/68/92/98/388689298.db2.gz DYRKTWCAZIMZPY-ZANVPECISA-N 1 0 249.314 1.983 20 5 BDBDRO C[NH2+]CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423226779 388690309 /nfs/dbraw/zinc/69/03/09/388690309.db2.gz SFLUDGKDDTWVAG-SNVBAGLBSA-N 1 0 237.303 1.773 20 5 BDBDRO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424074205 388694270 /nfs/dbraw/zinc/69/42/70/388694270.db2.gz GSPKRVSXICLVKS-BDAKNGLRSA-N 1 0 235.243 1.189 20 5 BDBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000424330498 388696016 /nfs/dbraw/zinc/69/60/16/388696016.db2.gz IENXRSIRJYMLQD-CHWSQXEVSA-N 1 0 249.314 1.954 20 5 BDBDRO CC[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000082578571 388728247 /nfs/dbraw/zinc/72/82/47/388728247.db2.gz AWKYCOWBZSKFEE-LURJTMIESA-N 1 0 243.288 1.123 20 5 BDBDRO C[C@H]([NH2+]CCO)c1cccc([N+](=O)[O-])c1 ZINC000020360730 388763732 /nfs/dbraw/zinc/76/37/32/388763732.db2.gz QFUSQBAIJZLQPX-QMMMGPOBSA-N 1 0 210.233 1.238 20 5 BDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000332426441 388789078 /nfs/dbraw/zinc/78/90/78/388789078.db2.gz FJZXMJSLUXYUMX-UHFFFAOYSA-N 1 0 236.271 1.550 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CO ZINC000129339123 388833071 /nfs/dbraw/zinc/83/30/71/388833071.db2.gz DTOFQDJCRMCDLW-ZJUUUORDSA-N 1 0 238.287 1.935 20 5 BDBDRO Cc1ccnc(N2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000070496553 132231286 /nfs/dbraw/zinc/23/12/86/132231286.db2.gz QOAZMUPAUPQSNV-VIFPVBQESA-N 1 0 236.275 1.226 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([NH3+])CC1 ZINC000158927895 134755897 /nfs/dbraw/zinc/75/58/97/134755897.db2.gz KTHJBYBQVQDWDC-UHFFFAOYSA-N 1 0 235.287 1.831 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC2)cs1 ZINC000087784744 135169896 /nfs/dbraw/zinc/16/98/96/135169896.db2.gz ABOMLUBBJPLKMQ-QMMMGPOBSA-N 1 0 228.273 1.535 20 5 BDBDRO Cc1c(CN2C[C@@H](C)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000261551213 135190048 /nfs/dbraw/zinc/19/00/48/135190048.db2.gz UCAXGHOLFFDUCT-BXKDBHETSA-N 1 0 249.314 1.682 20 5 BDBDRO [NH3+][C@H](CNc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000261554616 135194272 /nfs/dbraw/zinc/19/42/72/135194272.db2.gz PBYKTSHCGDGSLN-SECBINFHSA-N 1 0 239.250 1.883 20 5 BDBDRO C[C@H]([NH3+])CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000261564221 135206301 /nfs/dbraw/zinc/20/63/01/135206301.db2.gz XPHQIMWSUAKDTL-JTQLQIEISA-N 1 0 237.303 1.416 20 5 BDBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@H]12 ZINC000261564343 135206304 /nfs/dbraw/zinc/20/63/04/135206304.db2.gz HGZQPXPVTOINFE-INTQDDNPSA-N 1 0 248.286 1.163 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000261581527 135222346 /nfs/dbraw/zinc/22/23/46/135222346.db2.gz QQGRZRDOPPLVFM-VHSXEESVSA-N 1 0 248.286 1.036 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261585616 135226827 /nfs/dbraw/zinc/22/68/27/135226827.db2.gz TXYQNRNYHOGOCM-ZJUUUORDSA-N 1 0 248.286 1.178 20 5 BDBDRO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000261590931 135231909 /nfs/dbraw/zinc/23/19/09/135231909.db2.gz UWASHDXBFVUCTD-RNFRBKRXSA-N 1 0 227.239 1.882 20 5 BDBDRO C[C@H](O)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000087129588 135502556 /nfs/dbraw/zinc/50/25/56/135502556.db2.gz QAXMMDQTKQKQNP-IUCAKERBSA-N 1 0 224.260 1.454 20 5 BDBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000088060088 135514918 /nfs/dbraw/zinc/51/49/18/135514918.db2.gz IUIVSLQJIIDKJJ-LLVKDONJSA-N 1 0 249.314 1.431 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH3+])C1 ZINC000346644177 135948721 /nfs/dbraw/zinc/94/87/21/135948721.db2.gz LULZECKFJYPBAQ-LLVKDONJSA-N 1 0 235.287 1.436 20 5 BDBDRO CC[NH+](CC)CCNc1ccncc1[N+](=O)[O-] ZINC000020370209 169782547 /nfs/dbraw/zinc/78/25/47/169782547.db2.gz AMHLHCWJABXETE-UHFFFAOYSA-N 1 0 238.291 1.744 20 5 BDBDRO CC[NH2+]CCNc1ccc([N+](=O)[O-])cc1F ZINC000054267238 170116412 /nfs/dbraw/zinc/11/64/12/170116412.db2.gz AHZIGPQLTPAUNU-UHFFFAOYSA-N 1 0 227.239 1.755 20 5 BDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC1(C)C ZINC000489424513 411581711 /nfs/dbraw/zinc/58/17/11/411581711.db2.gz LDMXNVGJIXXLML-SNVBAGLBSA-N 1 0 238.291 1.522 20 5 BDBDRO C[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000193859101 173033783 /nfs/dbraw/zinc/03/37/83/173033783.db2.gz MHQHENXRPUEWCF-SSDOTTSWSA-N 1 0 242.304 1.557 20 5 BDBDRO C[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000052076713 173342252 /nfs/dbraw/zinc/34/22/52/173342252.db2.gz ANXDWBXVOGRZLO-UHFFFAOYSA-N 1 0 237.259 1.451 20 5 BDBDRO C[NH2+]C[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000123576587 173380783 /nfs/dbraw/zinc/38/07/83/173380783.db2.gz VBTSHSLHHGXBHS-CYBMUJFWSA-N 1 0 249.314 1.779 20 5 BDBDRO COCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000271034306 174280725 /nfs/dbraw/zinc/28/07/25/174280725.db2.gz IJYMMKGROIVJRM-UHFFFAOYSA-N 1 0 238.287 1.981 20 5 BDBDRO C[C@@H](CCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000097439476 175678262 /nfs/dbraw/zinc/67/82/62/175678262.db2.gz RZVBAQQLUVKERF-JTQLQIEISA-N 1 0 238.287 1.703 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC[NH3+] ZINC000054416835 176018764 /nfs/dbraw/zinc/01/87/64/176018764.db2.gz ZMXFIEBIWCCPSW-VIFPVBQESA-N 1 0 223.276 1.546 20 5 BDBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000235370720 176306643 /nfs/dbraw/zinc/30/66/43/176306643.db2.gz RWGWOWIYLSANAG-SKDRFNHKSA-N 1 0 235.287 1.374 20 5 BDBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000235328263 176310207 /nfs/dbraw/zinc/31/02/07/176310207.db2.gz IHLFKLXDSCDIOQ-APPZFPTMSA-N 1 0 241.316 1.435 20 5 BDBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cn1 ZINC000049558508 176626304 /nfs/dbraw/zinc/62/63/04/176626304.db2.gz MSVRRVLTGIEPEH-SECBINFHSA-N 1 0 238.291 1.742 20 5 BDBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000177879463 177162473 /nfs/dbraw/zinc/16/24/73/177162473.db2.gz AHDFZKVXOGPBML-VHSXEESVSA-N 1 0 238.291 1.522 20 5 BDBDRO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251671920 177266965 /nfs/dbraw/zinc/26/69/65/177266965.db2.gz HJVCSUCTHJQBFI-CMPLNLGQSA-N 1 0 249.314 1.764 20 5 BDBDRO C[NH2+]CCCOc1ccc([N+](=O)[O-])cc1C ZINC000159689434 323043795 /nfs/dbraw/zinc/04/37/95/323043795.db2.gz WYQDVKGCOCYZBS-UHFFFAOYSA-N 1 0 224.260 1.892 20 5 BDBDRO C[NH2+][C@H](C)CNc1ccccc1[N+](=O)[O-] ZINC000261534421 536404554 /nfs/dbraw/zinc/40/45/54/536404554.db2.gz MITZETDVJZKAEE-MRVPVSSYSA-N 1 0 209.249 1.615 20 5 BDBDRO CN(CC[NH3+])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000263042836 536369056 /nfs/dbraw/zinc/36/90/56/536369056.db2.gz SYGGOUWGAWRFET-UHFFFAOYSA-N 1 0 243.694 1.639 20 5 BDBDRO O=[N+]([O-])c1ccccc1CNC1=[NH+]CCCCN1 ZINC000829302146 582855171 /nfs/dbraw/zinc/85/51/71/582855171.db2.gz REXLWZUCRVBCSQ-UHFFFAOYSA-N 1 0 248.286 1.424 20 5 BDBDRO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@@H]2C1 ZINC000893934581 583252550 /nfs/dbraw/zinc/25/25/50/583252550.db2.gz IDNMCALKBJNFIO-MWLCHTKSSA-N 1 0 248.286 1.130 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2COCO2)cs1 ZINC000894870466 583539682 /nfs/dbraw/zinc/53/96/82/583539682.db2.gz JVWHMYTZBOBVHL-QMMMGPOBSA-N 1 0 244.272 1.119 20 5 BDBDRO CN1CC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000895771454 583725420 /nfs/dbraw/zinc/72/54/20/583725420.db2.gz ZPYUQLCMZUSYAC-ZETCQYMHSA-N 1 0 227.289 1.772 20 5 BDBDRO C[C@@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037475 583944480 /nfs/dbraw/zinc/94/44/80/583944480.db2.gz BXHJGYOGQRDXGC-YUMQZZPRSA-N 1 0 242.250 1.765 20 5 BDBDRO C[C@@H](CNCC[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000899870320 584244486 /nfs/dbraw/zinc/24/44/86/584244486.db2.gz MHBYKBFRWHUNAY-QWRGUYRKSA-N 1 0 229.324 1.116 20 5 BDBDRO Cc1ccc(C[NH2+]CC[N+](=O)[O-])c(C)c1 ZINC000899870938 584244759 /nfs/dbraw/zinc/24/47/59/584244759.db2.gz LYDZKBWZXRLRRS-UHFFFAOYSA-N 1 0 208.261 1.670 20 5 BDBDRO C[C@H](CNCC[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000899870321 584244771 /nfs/dbraw/zinc/24/47/71/584244771.db2.gz MHBYKBFRWHUNAY-WDEREUQCSA-N 1 0 229.324 1.116 20 5 BDBDRO Cc1ccccc1C[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000899871417 584244801 /nfs/dbraw/zinc/24/48/01/584244801.db2.gz QMGZZFJIAKBNBA-NSHDSACASA-N 1 0 222.288 1.792 20 5 BDBDRO COCc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000899870190 584244817 /nfs/dbraw/zinc/24/48/17/584244817.db2.gz FKHQQQWRNWNNLX-UHFFFAOYSA-N 1 0 224.260 1.199 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCOc1ccc(F)cc1 ZINC000899865836 584245468 /nfs/dbraw/zinc/24/54/68/584245468.db2.gz KKDPAEJFOXSRCF-UHFFFAOYSA-N 1 0 228.223 1.071 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000899888042 584247373 /nfs/dbraw/zinc/24/73/73/584247373.db2.gz XYEJUVSQXCEDGP-QWRGUYRKSA-N 1 0 210.277 1.384 20 5 BDBDRO CC[N@H+](CCC1CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000760537108 585393939 /nfs/dbraw/zinc/39/39/39/585393939.db2.gz BKEWRGPAQPXPER-UHFFFAOYSA-N 1 0 238.291 1.871 20 5 BDBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000787736121 585914922 /nfs/dbraw/zinc/91/49/22/585914922.db2.gz ILQNLGLDNOEBMW-LLVKDONJSA-N 1 0 230.308 1.136 20 5 BDBDRO COCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552668 586687986 /nfs/dbraw/zinc/68/79/86/586687986.db2.gz HJGSCJPSBNRYIH-MRVPVSSYSA-N 1 0 239.275 1.474 20 5 BDBDRO [NH3+][C@@H]1C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000818381472 586889831 /nfs/dbraw/zinc/88/98/31/586889831.db2.gz ORMFVKSHSQPZMS-DTWKUNHWSA-N 1 0 246.226 1.459 20 5 BDBDRO C[C@H]1C[C@H]1NC(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC000864454022 589365962 /nfs/dbraw/zinc/36/59/62/589365962.db2.gz RQNBZEIKTTUHCW-WCBMZHEXSA-N 1 0 248.286 1.617 20 5 BDBDRO Cc1ccc(CN2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000866676812 589511030 /nfs/dbraw/zinc/51/10/30/589511030.db2.gz MHQFGXITSMGHJU-RYUDHWBXSA-N 1 0 247.298 1.449 20 5 BDBDRO CN(CC[NH+](C)C)c1ccnc(F)c1[N+](=O)[O-] ZINC000882046110 591291667 /nfs/dbraw/zinc/29/16/67/591291667.db2.gz SFEBVTCPZBFJNH-UHFFFAOYSA-N 1 0 242.254 1.127 20 5 BDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886346477 592213556 /nfs/dbraw/zinc/21/35/56/592213556.db2.gz JNUDNBKZKHXBNL-LOWVWBTDSA-N 1 0 248.282 1.580 20 5 BDBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]1CO ZINC000934011763 631586225 /nfs/dbraw/zinc/58/62/25/631586225.db2.gz NOBGERFFYCBDJG-SNVBAGLBSA-N 1 0 240.234 1.301 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]2CO)cc1 ZINC000934024325 631597298 /nfs/dbraw/zinc/59/72/98/631597298.db2.gz PWQSDFKHUJZDCM-LBPRGKRZSA-N 1 0 236.271 1.204 20 5 BDBDRO C[C@H](CC[NH+](C)C)Nc1c([N+](=O)[O-])cnn1C ZINC000892085114 631724762 /nfs/dbraw/zinc/72/47/62/631724762.db2.gz IBDBCJXQRBRRFY-MRVPVSSYSA-N 1 0 241.295 1.080 20 5 BDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000309457401 633089470 /nfs/dbraw/zinc/08/94/70/633089470.db2.gz STPOYBIQFXNMIJ-ZCFIWIBFSA-N 1 0 243.288 1.076 20 5 BDBDRO C[C@@H](C[NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000054334701 636410347 /nfs/dbraw/zinc/41/03/47/636410347.db2.gz PRQAMBVXKCWDCF-ZETCQYMHSA-N 1 0 248.242 1.707 20 5 BDBDRO C[C@H]1CCCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000899877185 637146687 /nfs/dbraw/zinc/14/66/87/637146687.db2.gz XCFBVYGJYQDKOA-UWVGGRQHSA-N 1 0 200.282 1.679 20 5 BDBDRO [NH3+]C1(CNC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000904451676 637416459 /nfs/dbraw/zinc/41/64/59/637416459.db2.gz ZMHVNLBFRIHWME-HWKANZROSA-N 1 0 247.298 1.689 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCOc1cccc(F)c1 ZINC000905034381 637555869 /nfs/dbraw/zinc/55/58/69/637555869.db2.gz JMEDQNNMJWXDNA-UHFFFAOYSA-N 1 0 228.223 1.071 20 5 BDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])N(C)c1ccccc1 ZINC000905050664 637569454 /nfs/dbraw/zinc/56/94/54/637569454.db2.gz WENZAVYGHONBMY-LLVKDONJSA-N 1 0 237.303 1.378 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCN1CCCc2ccccc21 ZINC000905065587 637598449 /nfs/dbraw/zinc/59/84/49/637598449.db2.gz IQOXWHYKSPQMEJ-UHFFFAOYSA-N 1 0 249.314 1.306 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@H]1c1cccc(F)c1 ZINC000905071696 637602943 /nfs/dbraw/zinc/60/29/43/637602943.db2.gz PRCBGEIBZIQYFB-QWRGUYRKSA-N 1 0 224.235 1.548 20 5 BDBDRO Cc1nc(C)c(CC[NH2+]CC[N+](=O)[O-])s1 ZINC000905101517 637610286 /nfs/dbraw/zinc/61/02/86/637610286.db2.gz KOHTUXPMYIBZTF-UHFFFAOYSA-N 1 0 229.305 1.169 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCOc1ccc(F)cc1F ZINC000905098398 637636542 /nfs/dbraw/zinc/63/65/42/637636542.db2.gz SPQZMIHEPAQQTO-UHFFFAOYSA-N 1 0 246.213 1.210 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCc1ccc(O)cc1 ZINC000905129240 637640967 /nfs/dbraw/zinc/64/09/67/637640967.db2.gz YJCKMUBQUDFZIF-UHFFFAOYSA-N 1 0 224.260 1.191 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])[C@H]1CCCCO1 ZINC000905160317 637641930 /nfs/dbraw/zinc/64/19/30/637641930.db2.gz RJHPGALGTAXETE-SNVBAGLBSA-N 1 0 230.308 1.448 20 5 BDBDRO CC[C@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905134330 637645207 /nfs/dbraw/zinc/64/52/07/637645207.db2.gz TZGCZGIXZHEGBO-VHSXEESVSA-N 1 0 200.282 1.822 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000905138097 637647476 /nfs/dbraw/zinc/64/74/76/637647476.db2.gz OREXPUARIGUQAG-QWRGUYRKSA-N 1 0 212.293 1.822 20 5 BDBDRO CCSCC[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905143569 637651764 /nfs/dbraw/zinc/65/17/64/637651764.db2.gz BTOVXWMRJJTFAT-MRVPVSSYSA-N 1 0 206.311 1.384 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1ccncc1 ZINC000905190529 637672282 /nfs/dbraw/zinc/67/22/82/637672282.db2.gz LZUBABOHNSUTCR-UHFFFAOYSA-N 1 0 223.276 1.226 20 5 BDBDRO COCCC1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905166409 637678420 /nfs/dbraw/zinc/67/84/20/637678420.db2.gz GNVYHINSMPWFRB-UHFFFAOYSA-N 1 0 216.281 1.060 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1(C(F)(F)F)CC1 ZINC000905255442 637712804 /nfs/dbraw/zinc/71/28/04/637712804.db2.gz HYKIFFDPKMSKHU-UHFFFAOYSA-N 1 0 212.171 1.195 20 5 BDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])C1CCCC1 ZINC000905278349 637734737 /nfs/dbraw/zinc/73/47/37/637734737.db2.gz CCQYHNRLYYUOEF-SNVBAGLBSA-N 1 0 200.282 1.822 20 5 BDBDRO C[C@@]1(CC[NH2+]CC[N+](=O)[O-])CC1(Cl)Cl ZINC000905279784 637734766 /nfs/dbraw/zinc/73/47/66/637734766.db2.gz NAQKCLRUBAHGRE-SSDOTTSWSA-N 1 0 241.118 1.827 20 5 BDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000905351047 637771256 /nfs/dbraw/zinc/77/12/56/637771256.db2.gz QQWWCCWLEZUQJN-GZMMTYOYSA-N 1 0 242.250 1.114 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000905383904 637784391 /nfs/dbraw/zinc/78/43/91/637784391.db2.gz CNOQXRDNVCLLBF-LURJTMIESA-N 1 0 227.091 1.437 20 5 BDBDRO Cc1cccc2c1C[C@H]([NH2+]CC[N+](=O)[O-])CO2 ZINC000905388206 637786952 /nfs/dbraw/zinc/78/69/52/637786952.db2.gz CBZXPHLPPKEIKT-JTQLQIEISA-N 1 0 236.271 1.165 20 5 BDBDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905362543 637787772 /nfs/dbraw/zinc/78/77/72/637787772.db2.gz UYFTXMIRSICIJX-ZYHUDNBSSA-N 1 0 238.287 1.365 20 5 BDBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905368098 637789550 /nfs/dbraw/zinc/78/95/50/637789550.db2.gz OJTDHBPWNRBMAE-LBPRGKRZSA-N 1 0 238.287 1.203 20 5 BDBDRO CCO[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C12CCC2 ZINC000930627429 639828111 /nfs/dbraw/zinc/82/81/11/639828111.db2.gz HLLKBGCSGGZCPF-VHSXEESVSA-N 1 0 228.292 1.200 20 5 BDBDRO CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1CCC1 ZINC000930704102 639870694 /nfs/dbraw/zinc/87/06/94/639870694.db2.gz UPTXMTLFDVZHRM-SNVBAGLBSA-N 1 0 200.282 1.822 20 5 BDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000930744588 639892131 /nfs/dbraw/zinc/89/21/31/639892131.db2.gz YEDGEUXSNIUAJY-IUCAKERBSA-N 1 0 200.282 1.677 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000930810007 639912732 /nfs/dbraw/zinc/91/27/32/639912732.db2.gz FEOMQZSVCQIYLM-MNOVXSKESA-N 1 0 228.292 1.154 20 5 BDBDRO C[C@H]1CC2(C[N@@H+]1CC[N+](=O)[O-])CCOCC2 ZINC000930823351 639924289 /nfs/dbraw/zinc/92/42/89/639924289.db2.gz ISPOCGHUOBUVSL-JTQLQIEISA-N 1 0 228.292 1.154 20 5 BDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000930891205 639977579 /nfs/dbraw/zinc/97/75/79/639977579.db2.gz HERGUXDJMGWCLQ-ZJUUUORDSA-N 1 0 216.281 1.200 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000931059681 640047466 /nfs/dbraw/zinc/04/74/66/640047466.db2.gz OCFQNDADXWTATJ-NSHDSACASA-N 1 0 212.293 1.775 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000931557678 640272596 /nfs/dbraw/zinc/27/25/96/640272596.db2.gz WXXYJXZESDZHQR-HTQZYQBOSA-N 1 0 238.209 1.750 20 5 BDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000931701592 640325345 /nfs/dbraw/zinc/32/53/45/640325345.db2.gz WNGXFWJULFZCFN-NXEZZACHSA-N 1 0 216.281 1.058 20 5 BDBDRO CCNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000231865048 641208367 /nfs/dbraw/zinc/20/83/67/641208367.db2.gz SFWZHMWYBZEVTL-UHFFFAOYSA-N 1 0 236.275 1.537 20 5 BDBDRO Cc1cnc(N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000090692571 642317061 /nfs/dbraw/zinc/31/70/61/642317061.db2.gz BXWXHHQLSXNKLF-SECBINFHSA-N 1 0 236.275 1.083 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCO)cc1Cl ZINC000185315601 643290960 /nfs/dbraw/zinc/29/09/60/643290960.db2.gz NUKMHNFGXRRWFT-UHFFFAOYSA-N 1 0 230.651 1.330 20 5 BDBDRO [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000093215714 644680994 /nfs/dbraw/zinc/68/09/94/644680994.db2.gz DPPXWOVBOWINBR-NWDGAFQWSA-N 1 0 249.314 1.954 20 5 BDBDRO [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000093214525 644681449 /nfs/dbraw/zinc/68/14/49/644681449.db2.gz BXFFISOIOKGPSW-VXGBXAGGSA-N 1 0 249.314 1.954 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH3+])C2)c1 ZINC000094663270 644723505 /nfs/dbraw/zinc/72/35/05/644723505.db2.gz MBTFIUHSAXJJMM-JTQLQIEISA-N 1 0 235.287 1.688 20 5 BDBDRO C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)[C@@H](C)[C@H]1C ZINC000841689308 645224218 /nfs/dbraw/zinc/22/42/18/645224218.db2.gz IZPBMHDKBQAXRJ-UTLUCORTSA-N 1 0 238.291 1.725 20 5 BDBDRO CC(C)C[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929426341 646117327 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ZINC000712596129 712435772 /nfs/dbraw/zinc/43/57/72/712435772.db2.gz SZCCMIKTDXBJHT-SNVBAGLBSA-N 1 0 236.275 1.496 20 5 BDBDRO CCN1CC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000712530613 712441635 /nfs/dbraw/zinc/44/16/35/712441635.db2.gz PILCFSUKCKKBSY-CYBMUJFWSA-N 1 0 249.314 1.779 20 5 BDBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000719575539 712811655 /nfs/dbraw/zinc/81/16/55/712811655.db2.gz PSFAYFBVOYILHU-PSASIEDQSA-N 1 0 236.275 1.494 20 5 BDBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000719575543 712812041 /nfs/dbraw/zinc/81/20/41/712812041.db2.gz PSFAYFBVOYILHU-SCZZXKLOSA-N 1 0 236.275 1.494 20 5 BDBDRO CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000720820592 712868885 /nfs/dbraw/zinc/86/88/85/712868885.db2.gz UUWKVKQLIZXLIZ-LBPRGKRZSA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@H]1COc1cccc([N+](=O)[O-])c1 ZINC000721083109 712890511 /nfs/dbraw/zinc/89/05/11/712890511.db2.gz PNAZEBQYZKCTNP-ZJUUUORDSA-N 1 0 236.271 1.829 20 5 BDBDRO NC1=C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC=C1 ZINC001168984745 969300762 /nfs/dbraw/zinc/30/07/62/969300762.db2.gz AENHBQFHIVLGTN-GXSJLCMTSA-N 1 0 223.276 1.104 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](O)CC2)C1 ZINC001168955472 969303782 /nfs/dbraw/zinc/30/37/82/969303782.db2.gz ANISGPZRLROULM-BJDJZHNGSA-N 1 0 242.319 1.325 20 5 BDBDRO COCC(C)(C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967083 969320890 /nfs/dbraw/zinc/32/08/90/969320890.db2.gz NCXGPLRADHANBP-NXEZZACHSA-N 1 0 230.308 1.446 20 5 BDBDRO CC1(C)C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169005280 969328321 /nfs/dbraw/zinc/32/83/21/969328321.db2.gz AFLCXKGKKQBEJB-ZJUUUORDSA-N 1 0 212.293 1.774 20 5 BDBDRO COC1(C)C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169005997 969329420 /nfs/dbraw/zinc/32/94/20/969329420.db2.gz FBYSSLLCIGWNDT-NXEZZACHSA-N 1 0 228.292 1.153 20 5 BDBDRO COCC[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005357 969330242 /nfs/dbraw/zinc/33/02/42/969330242.db2.gz BDNKAVDQBMCAEI-ZJUUUORDSA-N 1 0 216.281 1.010 20 5 BDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169005975 969331175 /nfs/dbraw/zinc/33/11/75/969331175.db2.gz DTVWDJRRUCLGFX-OUAUKWLOSA-N 1 0 240.303 1.343 20 5 BDBDRO C[C@@H]1C[C@H](O)CC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033938 969352563 /nfs/dbraw/zinc/35/25/63/969352563.db2.gz DVIKJJUTHFWSSK-NOOOWODRSA-N 1 0 242.319 1.277 20 5 BDBDRO CC[C@@H]1COCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039133 969356730 /nfs/dbraw/zinc/35/67/30/969356730.db2.gz NMWRUSJMLYYSNN-IJLUTSLNSA-N 1 0 242.319 1.543 20 5 BDBDRO Cc1[nH]c(=O)nc(O[C@H](C)C[N+](C)(C)C)c1C ZINC001226982462 975201916 /nfs/dbraw/zinc/20/19/16/975201916.db2.gz SFFLSMBRWQBXGB-MRVPVSSYSA-O 1 0 240.327 1.273 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCC1(C)COC1 ZINC001224472307 973682356 /nfs/dbraw/zinc/68/23/56/973682356.db2.gz UKDHVMVLMYGAQP-SNVBAGLBSA-N 1 0 202.318 1.134 20 5 BDBDRO CCO[C@@H](C)COCCC[N+](C)(C)C ZINC001224621516 973802442 /nfs/dbraw/zinc/80/24/42/973802442.db2.gz WQGRZNOMCOPLCG-NSHDSACASA-N 1 0 204.334 1.524 20 5 BDBDRO C[N@@H+]1CCCC[C@@H]1CO[C@H](C[N+](=O)[O-])C1CC1 ZINC001224708323 973879670 /nfs/dbraw/zinc/87/96/70/973879670.db2.gz XHAQYDUDXMPZHR-VXGBXAGGSA-N 1 0 242.319 1.543 20 5 BDBDRO CCC[C@@H](CC(=O)OCC)OCC[N+](C)(C)C ZINC001224776277 973941282 /nfs/dbraw/zinc/94/12/82/973941282.db2.gz UKEUQWKWMICYIA-LBPRGKRZSA-N 1 0 246.371 1.831 20 5 BDBDRO COc1cnc(-n2ccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001158764990 971445803 /nfs/dbraw/zinc/44/58/03/971445803.db2.gz XNKAOJWHOLYCIP-UHFFFAOYSA-N 1 0 248.242 1.248 20 5 BDBDRO O=[N+]([O-])c1cc(O[C@H]2CC[NH2+]C2)c(F)cc1F ZINC001218176110 971609140 /nfs/dbraw/zinc/60/91/40/971609140.db2.gz FIEDYVNZTWOTPZ-LURJTMIESA-N 1 0 244.197 1.614 20 5 BDBDRO Cc1nccc([N+](=O)[O-])c1O[C@H]1CC[NH2+]C1 ZINC001218181813 971617339 /nfs/dbraw/zinc/61/73/39/971617339.db2.gz QAXPEPFBMODXON-QMMMGPOBSA-N 1 0 223.232 1.039 20 5 BDBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]C2)c(Cl)n1 ZINC001218182450 971617413 /nfs/dbraw/zinc/61/74/13/971617413.db2.gz UMKHDZWIFOGFMP-LURJTMIESA-N 1 0 243.650 1.384 20 5 BDBDRO [NH3+]Cc1cccc(O[C@@H](C[N+](=O)[O-])C2CC2)c1 ZINC001218327584 971709883 /nfs/dbraw/zinc/70/98/83/971709883.db2.gz BQIRVLMNHANALB-LBPRGKRZSA-N 1 0 236.271 1.579 20 5 BDBDRO Cc1cnc(NC/C=C/C[NH3+])c([N+](=O)[O-])c1 ZINC000164543263 957626570 /nfs/dbraw/zinc/62/65/70/957626570.db2.gz RICYYAIMHVECAI-NSCUHMNNSA-N 1 0 222.248 1.225 20 5 BDBDRO COc1ccc([N+](=O)[O-])c(-n2cccc2C[NH3+])n1 ZINC001167582388 958944858 /nfs/dbraw/zinc/94/48/58/958944858.db2.gz ZZNKGACNKAAAMW-UHFFFAOYSA-N 1 0 248.242 1.248 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCCC(=O)OC(C)(C)C ZINC001222194610 972407641 /nfs/dbraw/zinc/40/76/41/972407641.db2.gz XGYVREFLIBKQRH-LLVKDONJSA-N 1 0 246.371 1.830 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1CO[C@H]1CC[NH2+]C1 ZINC001217824138 959622181 /nfs/dbraw/zinc/62/21/81/959622181.db2.gz MPUJSLVRRHMVPI-JTQLQIEISA-N 1 0 236.271 1.782 20 5 BDBDRO O=[N+]([O-])c1cncc(O[C@H]2CCC[NH2+]C2)c1 ZINC001218284174 959946009 /nfs/dbraw/zinc/94/60/09/959946009.db2.gz VYLOVEHMZZJOMT-VIFPVBQESA-N 1 0 223.232 1.121 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCc1ncccn1 ZINC001222262784 960524929 /nfs/dbraw/zinc/52/49/29/960524929.db2.gz PHWOBXSGEJRNOU-SNVBAGLBSA-N 1 0 210.301 1.088 20 5 BDBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cccc([N+](=O)[O-])n1 ZINC001155187445 963011481 /nfs/dbraw/zinc/01/14/81/963011481.db2.gz DRCKPEZFVYLQJK-HTQZYQBOSA-N 1 0 222.248 1.152 20 5 BDBDRO CCc1ncnc(O[C@H](C)C[N+](C)(C)C)c1F ZINC001226064761 963014980 /nfs/dbraw/zinc/01/49/80/963014980.db2.gz BNNBXAXKINBMBV-SECBINFHSA-N 1 0 242.318 1.652 20 5 BDBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1cccc([N+](=O)[O-])n1 ZINC001157732837 963709858 /nfs/dbraw/zinc/70/98/58/963709858.db2.gz LTPGYVOCHGNQMN-BDAKNGLRSA-N 1 0 236.275 1.306 20 5 BDBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1cccc([N+](=O)[O-])n1 ZINC001157732839 963710468 /nfs/dbraw/zinc/71/04/68/963710468.db2.gz LTPGYVOCHGNQMN-IUCAKERBSA-N 1 0 236.275 1.306 20 5 BDBDRO Cc1nc(-n2ccc([C@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC001158346376 963852383 /nfs/dbraw/zinc/85/23/83/963852383.db2.gz YLRHSLQYEQUYHY-ZETCQYMHSA-N 1 0 247.258 1.504 20 5 BDBDRO C[N+](C)(C)CCCO[C@@H]1COc2cnccc21 ZINC001224621545 964809732 /nfs/dbraw/zinc/80/97/32/964809732.db2.gz XWPPLHZQHZBVLP-CYBMUJFWSA-N 1 0 237.323 1.628 20 5 BDBDRO C[N+](C)(C)CCO[C@H]1CCc2cccnc21 ZINC001224774942 964937209 /nfs/dbraw/zinc/93/72/09/964937209.db2.gz HDHNWGBMXHATKW-LBPRGKRZSA-N 1 0 221.324 1.792 20 5 BDBDRO Cc1cccc(N[C@@H]2COC[C@@H]2[NH3+])c1[N+](=O)[O-] ZINC001162921004 965210030 /nfs/dbraw/zinc/21/00/30/965210030.db2.gz JICURJGBZLJJKZ-WCBMZHEXSA-N 1 0 237.259 1.041 20 5 BDBDRO C[NH2+]CCN(C)c1nccc(Cl)c1[N+](=O)[O-] ZINC001163717292 965533490 /nfs/dbraw/zinc/53/34/90/965533490.db2.gz ICIRFWJEGOSLCB-UHFFFAOYSA-N 1 0 244.682 1.299 20 5 BDBDRO Cc1c(C)c(N2C[C@@H]3C[C@]3([NH3+])C2)ncc1[N+](=O)[O-] ZINC001165314866 966045899 /nfs/dbraw/zinc/04/58/99/966045899.db2.gz OIYHPRIVRRFNQT-CABZTGNLSA-N 1 0 248.286 1.144 20 5 BDBDRO Cc1nc(N2CCC[C@H]3[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC001165387106 966080057 /nfs/dbraw/zinc/08/00/57/966080057.db2.gz HIICKBAWKNVQLF-MWLCHTKSSA-N 1 0 248.286 1.239 20 5 BDBDRO Cc1cnc(C[NH3+])n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979183 969298602 /nfs/dbraw/zinc/29/86/02/969298602.db2.gz WZCQWXUHUJFNPO-VHSXEESVSA-N 1 0 238.291 1.268 20 5 BDBDRO O=C1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168980316 969299409 /nfs/dbraw/zinc/29/94/09/969299409.db2.gz CUEYVQUEXVRKPS-MXWKQRLJSA-N 1 0 240.303 1.533 20 5 BDBDRO CC1(C)C[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984893 969301537 /nfs/dbraw/zinc/30/15/37/969301537.db2.gz RCNOGUPBHNZGFD-UTLUCORTSA-N 1 0 212.293 1.820 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC001168955823 969304490 /nfs/dbraw/zinc/30/44/90/969304490.db2.gz CONOSBGGJRJFMU-ONGXEEELSA-N 1 0 228.292 1.200 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC001168955820 969305229 /nfs/dbraw/zinc/30/52/29/969305229.db2.gz CONOSBGGJRJFMU-KOLCDFICSA-N 1 0 228.292 1.200 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC001168956376 969305353 /nfs/dbraw/zinc/30/53/53/969305353.db2.gz DWUVXMOPWOOTHS-CHWSQXEVSA-N 1 0 249.314 1.659 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CC(F)C2)C1 ZINC001168956938 969306583 /nfs/dbraw/zinc/30/65/83/969306583.db2.gz CVTZFIRIHZQCSZ-RJQCTPFPSA-N 1 0 216.256 1.522 20 5 BDBDRO CCOCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957992 969307357 /nfs/dbraw/zinc/30/73/57/969307357.db2.gz KNYLWSBHTDBLRH-VHSXEESVSA-N 1 0 216.281 1.058 20 5 BDBDRO C[C@H]([NH3+])c1nccn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956866 969308291 /nfs/dbraw/zinc/30/82/91/969308291.db2.gz CIMYLZXTYANERM-AEJSXWLSSA-N 1 0 238.291 1.521 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccccn2)C1 ZINC001168958825 969309336 /nfs/dbraw/zinc/30/93/36/969309336.db2.gz 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242.319 1.400 20 5 BDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169010242 969336703 /nfs/dbraw/zinc/33/67/03/969336703.db2.gz BSAFAKNWVIETFM-DBIOUOCHSA-N 1 0 230.283 1.722 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC3(CCC3)C2)C1 ZINC001169011608 969337171 /nfs/dbraw/zinc/33/71/71/969337171.db2.gz LKOYZMRISSTSES-MNOVXSKESA-N 1 0 224.304 1.918 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2C[C@@H](F)[C@H](F)C2)C1 ZINC001169010686 969338002 /nfs/dbraw/zinc/33/80/02/969338002.db2.gz FLISHULBGVPBHT-UTINFBMNSA-N 1 0 234.246 1.424 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)C1 ZINC001169011960 969338058 /nfs/dbraw/zinc/33/80/58/969338058.db2.gz NWYPINFWVICIAU-SVNGYHJRSA-N 1 0 242.294 1.722 20 5 BDBDRO COC(C)(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)OC ZINC001168986595 969342320 /nfs/dbraw/zinc/34/23/20/969342320.db2.gz XMYFCVLMDOGKNL-UWVGGRQHSA-N 1 0 246.307 1.030 20 5 BDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 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242.319 1.543 20 5 BDBDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C ZINC001169036372 969358505 /nfs/dbraw/zinc/35/85/05/969358505.db2.gz NXGLZJREYZDLTR-WOPDTQHZSA-N 1 0 241.335 1.068 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001169036614 969358955 /nfs/dbraw/zinc/35/89/55/969358955.db2.gz HAYYLLRBQLTWTB-DGORSVRFSA-N 1 0 242.294 1.864 20 5 BDBDRO C[N@H+](Cc1ccno1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046893 969366009 /nfs/dbraw/zinc/36/60/09/969366009.db2.gz OFOZNKKQHSOUPC-VHSXEESVSA-N 1 0 239.275 1.552 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2CF)C1 ZINC001169054660 969372563 /nfs/dbraw/zinc/37/25/63/969372563.db2.gz NFXMVJUMTSCXLL-HBNTYKKESA-N 1 0 230.283 1.866 20 5 BDBDRO C[N@H+]([C@H]1CCOC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169057477 969372944 /nfs/dbraw/zinc/37/29/44/969372944.db2.gz VVYCKIJGPQZIQC-DCAQKATOSA-N 1 0 228.292 1.153 20 5 BDBDRO [NH2+]=CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580888 969739791 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973802753 /nfs/dbraw/zinc/80/27/53/973802753.db2.gz SIQKSLZJHMPJTO-LBPRGKRZSA-N 1 0 244.355 1.441 20 5 BDBDRO COC[C@@H](C)OC[C@H](C)OCCC[N+](C)(C)C ZINC001224621200 973803167 /nfs/dbraw/zinc/80/31/67/973803167.db2.gz MVQFAYORAVBGRT-OLZOCXBDSA-N 1 0 248.387 1.539 20 5 BDBDRO C[N+](C)(C)CCO[C@@H]1COCc2ccccc21 ZINC001224776289 973940182 /nfs/dbraw/zinc/94/01/82/973940182.db2.gz ULSMQDQUDPUTNR-CQSZACIVSA-N 1 0 236.335 1.981 20 5 BDBDRO Cc1ncc(O[C@@H](C)C[N+](C)(C)C)c(C)n1 ZINC001225405571 974465306 /nfs/dbraw/zinc/46/53/06/974465306.db2.gz JFKHTRFJPMNCBB-VIFPVBQESA-N 1 0 224.328 1.567 20 5 BDBDRO Cc1cc(=O)[nH]c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225700324 974650252 /nfs/dbraw/zinc/65/02/52/974650252.db2.gz CFBUPPAWHWQPGF-JTQLQIEISA-O 1 0 225.312 1.569 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(F)n1 ZINC001226190383 974823677 /nfs/dbraw/zinc/82/36/77/974823677.db2.gz OJQLCPBHJUSVKH-VIFPVBQESA-N 1 0 213.276 1.694 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2nccn2n1 ZINC001226569179 974959715 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976547418 /nfs/dbraw/zinc/54/74/18/976547418.db2.gz OOGKLSHVEJKTGJ-SECBINFHSA-N 1 0 240.283 1.463 20 5 BDBDRO CCOc1cccnc1O[C@H](C)C[N+](C)(C)C ZINC001229155477 976774776 /nfs/dbraw/zinc/77/47/76/976774776.db2.gz SDERYAZHFJMCQQ-LLVKDONJSA-N 1 0 239.339 1.954 20 5 BDBDRO CCc1cncnc1O[C@H](C)C[N+](C)(C)C ZINC001230031211 977094365 /nfs/dbraw/zinc/09/43/65/977094365.db2.gz UMGKOGDGSOJVGW-SNVBAGLBSA-N 1 0 224.328 1.513 20 5 BDBDRO COC(=O)c1[nH]ccc1O[C@@H](C)C[N+](C)(C)C ZINC001230503837 977219855 /nfs/dbraw/zinc/21/98/55/977219855.db2.gz FZFIYKBMFNZTQD-VIFPVBQESA-O 1 0 241.311 1.275 20 5 BDBDRO Cc1cc(=O)cc(O[C@@H](C)C[N+](C)(C)C)o1 ZINC001230898697 977368455 /nfs/dbraw/zinc/36/84/55/977368455.db2.gz SZKHJBMQFVGYBM-JTQLQIEISA-N 1 0 226.296 1.422 20 5 BDBDRO Cc1cc(F)ccc1C[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC001336794590 977966676 /nfs/dbraw/zinc/96/66/76/977966676.db2.gz KVDFGLREYDYLKX-SNVBAGLBSA-N 1 0 240.278 1.931 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH3+])CC1 ZINC001342063804 979645003 /nfs/dbraw/zinc/64/50/03/979645003.db2.gz YDEDFMYBLXXRHE-UHFFFAOYSA-N 1 0 249.270 1.124 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001343616602 980165266 /nfs/dbraw/zinc/16/52/66/980165266.db2.gz BDUNBUTWSLTZCE-KYZUINATSA-N 1 0 249.270 1.123 20 5 BDBDRO CCSCCO[C@H](C)C[N+](C)(C)C ZINC001205350481 980371058 /nfs/dbraw/zinc/37/10/58/980371058.db2.gz VHNLGYONSMLXEI-SNVBAGLBSA-N 1 0 206.375 1.851 20 5 BDBDRO Cc1ccnc(N[C@H]2C[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001579813360 986235169 /nfs/dbraw/zinc/23/51/69/986235169.db2.gz WQXIFPCLQBJMEM-OCAPTIKFSA-N 1 0 222.248 1.200 20 5 BDBDRO CN(C[C@@H]1CCC[NH2+]1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246888167 988654948 /nfs/dbraw/zinc/65/49/48/988654948.db2.gz GMFANJKDSWBXOB-GRYCIOLGSA-N 1 0 241.335 1.116 20 5 BDBDRO O=[N+]([O-])c1ncccc1OC[C@H]1CCC[NH2+]C1 ZINC001326052214 989346786 /nfs/dbraw/zinc/34/67/86/989346786.db2.gz MUPUBCPLTMZWJJ-VIFPVBQESA-N 1 0 237.259 1.368 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)C2CC2)c1 ZINC000071300346 398146380 /nfs/dbraw/zinc/14/63/80/398146380.db2.gz HNFISTIYMLUPBN-LBPRGKRZSA-N 1 0 236.271 1.455 20 5 BDBDRO C[NH2+]CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000082523599 136221621 /nfs/dbraw/zinc/22/16/21/136221621.db2.gz JBGRUPPWIXEHDA-UHFFFAOYSA-N 1 0 225.248 1.235 20 5 BDBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000037248238 361777155 /nfs/dbraw/zinc/77/71/55/361777155.db2.gz XPVBXANCWCYHQQ-UHFFFAOYSA-N 1 0 236.275 1.496 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H](C)O ZINC000187823798 178270833 /nfs/dbraw/zinc/27/08/33/178270833.db2.gz JYZZTKGBHAMDMD-JTQLQIEISA-N 1 0 238.287 1.716 20 5 BDBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000404785858 361865254 /nfs/dbraw/zinc/86/52/54/361865254.db2.gz POVAZFYZRZIXJR-RYUDHWBXSA-N 1 0 249.314 1.810 20 5 BDBDRO O=[N+]([O-])c1cnccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000608973084 342855969 /nfs/dbraw/zinc/85/59/69/342855969.db2.gz XZWYJGCLCREDFS-JTQLQIEISA-N 1 0 248.286 1.274 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+][C@H](C)C1 ZINC000349835551 398309003 /nfs/dbraw/zinc/30/90/03/398309003.db2.gz QKDOHHLNRQRATK-LLVKDONJSA-N 1 0 249.314 1.697 20 5 BDBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000120156849 398337027 /nfs/dbraw/zinc/33/70/27/398337027.db2.gz ZNUXQIJYEXMHRP-GFCCVEGCSA-N 1 0 236.271 1.863 20 5 BDBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602806098 349769774 /nfs/dbraw/zinc/76/97/74/349769774.db2.gz OXROWNZDOJGVRJ-BDAKNGLRSA-N 1 0 240.307 1.853 20 5 BDBDRO CC(C)([NH3+])CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000576943938 365727627 /nfs/dbraw/zinc/72/76/27/365727627.db2.gz MZPAYNZCNMOBIF-UHFFFAOYSA-N 1 0 249.314 1.690 20 5 BDBDRO Cc1cn(Cc2onc(C)c2[N+](=O)[O-])c(C)n1 ZINC000601080161 344142632 /nfs/dbraw/zinc/14/26/32/344142632.db2.gz JSWACXYROKLOGE-UHFFFAOYSA-N 1 0 236.231 1.753 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603095935 344435459 /nfs/dbraw/zinc/43/54/59/344435459.db2.gz YQIJZSWAVKAQGI-IRUJWGPZSA-N 1 0 248.282 1.722 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000381622272 344526951 /nfs/dbraw/zinc/52/69/51/344526951.db2.gz SKXBPIYQFNEMPP-WDSKDSINSA-N 1 0 243.288 1.122 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000235386117 178929231 /nfs/dbraw/zinc/92/92/31/178929231.db2.gz QQOMCLRLVMISSW-APPZFPTMSA-N 1 0 236.275 1.082 20 5 BDBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000136363686 346201312 /nfs/dbraw/zinc/20/13/12/346201312.db2.gz HLDZEFHESYKEKD-VHSXEESVSA-N 1 0 238.287 1.844 20 5 BDBDRO Cc1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000050228634 179011138 /nfs/dbraw/zinc/01/11/38/179011138.db2.gz YMRSECAINAVNCO-VIFPVBQESA-N 1 0 249.270 1.076 20 5 BDBDRO Cc1cccc(N2CC([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000275403171 179122512 /nfs/dbraw/zinc/12/25/12/179122512.db2.gz FGXTZSNNHCGHOZ-UHFFFAOYSA-N 1 0 235.287 1.653 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591439374 347661570 /nfs/dbraw/zinc/66/15/70/347661570.db2.gz UDFPTTMFDLVHIM-ZJUUUORDSA-N 1 0 248.286 1.178 20 5 BDBDRO O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc1 ZINC000591435612 347659811 /nfs/dbraw/zinc/65/98/11/347659811.db2.gz NNCHIWFFGHSNDQ-AOOOYVTPSA-N 1 0 248.286 1.321 20 5 BDBDRO C[C@@H]([NH3+])Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000592170787 347747109 /nfs/dbraw/zinc/74/71/09/347747109.db2.gz OJARLLAPCDZNJN-ZCFIWIBFSA-N 1 0 210.237 1.016 20 5 BDBDRO C[C@H]([NH2+]C/C=C\CO)c1ccc([N+](=O)[O-])cc1 ZINC000595073152 348188615 /nfs/dbraw/zinc/18/86/15/348188615.db2.gz SKJZGROZCHVMGL-ZMWSMAPVSA-N 1 0 236.271 1.794 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOCCF ZINC000596058971 348435573 /nfs/dbraw/zinc/43/55/73/348435573.db2.gz RRGPZBPFPBYXFE-UHFFFAOYSA-N 1 0 242.250 1.671 20 5 BDBDRO C[NH2+]C[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000596104588 348440175 /nfs/dbraw/zinc/44/01/75/348440175.db2.gz GRTWYWZZSYWLTJ-ZRQQLDRUSA-N 1 0 249.314 1.806 20 5 BDBDRO Cc1ccnc(NC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000070496596 179450116 /nfs/dbraw/zinc/45/01/16/179450116.db2.gz QYWUREXTFTUKOL-SECBINFHSA-N 1 0 236.275 1.462 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC2C[NH+](C)C2)c1 ZINC000596452065 348552068 /nfs/dbraw/zinc/55/20/68/348552068.db2.gz AQXMLGVTWFZXQP-UHFFFAOYSA-N 1 0 249.314 1.901 20 5 BDBDRO CN(Cc1ccccc1[N+](=O)[O-])CC1C[NH+](C)C1 ZINC000597203387 348676966 /nfs/dbraw/zinc/67/69/66/348676966.db2.gz OXQHTDFSMUQDHC-UHFFFAOYSA-N 1 0 249.314 1.588 20 5 BDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]([NH3+])C2)n1 ZINC000420142319 192169217 /nfs/dbraw/zinc/16/92/17/192169217.db2.gz ILGRDLHYMPZRHS-SECBINFHSA-N 1 0 236.275 1.144 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599007693 349075222 /nfs/dbraw/zinc/07/52/22/349075222.db2.gz TZRKGZGHLVLXOO-JGZJWPJOSA-N 1 0 236.271 1.455 20 5 BDBDRO C[NH2+]C[C@H](C)CNc1ncc([N+](=O)[O-])cc1F ZINC000420185449 192171585 /nfs/dbraw/zinc/17/15/85/192171585.db2.gz BSWCFHNBOADEQS-ZETCQYMHSA-N 1 0 242.254 1.396 20 5 BDBDRO Cc1nc(NC[C@@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000129340379 180019256 /nfs/dbraw/zinc/01/92/56/180019256.db2.gz FUWFWSJFYGESBG-SECBINFHSA-N 1 0 236.275 1.447 20 5 BDBDRO Cc1nc(NC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124167154 180019376 /nfs/dbraw/zinc/01/93/76/180019376.db2.gz ZCIUUYSTAVLAFJ-SECBINFHSA-N 1 0 236.275 1.320 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H]1CC[N@@H+](C)C1 ZINC000352933291 180175404 /nfs/dbraw/zinc/17/54/04/180175404.db2.gz XLJGSVJGWKNAFI-SECBINFHSA-N 1 0 224.264 1.051 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(OC[C@@H]2CC[NH2+]C2)c1 ZINC000051890667 350549047 /nfs/dbraw/zinc/54/90/47/350549047.db2.gz YMUDHOYKKRUXKM-SNVBAGLBSA-N 1 0 236.271 1.892 20 5 BDBDRO Cc1sc(C(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000274419267 180557309 /nfs/dbraw/zinc/55/73/09/180557309.db2.gz KVEZJSUIIVWMCC-RXMQYKEDSA-N 1 0 243.288 1.042 20 5 BDBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000386835044 363049502 /nfs/dbraw/zinc/04/95/02/363049502.db2.gz ILXGVVSMAKFICH-GXSJLCMTSA-N 1 0 238.287 1.844 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000053297686 356229534 /nfs/dbraw/zinc/22/95/34/356229534.db2.gz JZNFDLAPZMWWBF-SNVBAGLBSA-N 1 0 248.286 1.638 20 5 BDBDRO C[C@H](C[NH+](C)C)Nc1ccccc1[N+](=O)[O-] ZINC000130604069 363493271 /nfs/dbraw/zinc/49/32/71/363493271.db2.gz PTZIZFNTHOKHMQ-SECBINFHSA-N 1 0 223.276 1.957 20 5 BDBDRO C[NH2+][C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000346643637 357123836 /nfs/dbraw/zinc/12/38/36/357123836.db2.gz NHQODDOCBSUGCW-LBPRGKRZSA-N 1 0 249.314 1.697 20 5 BDBDRO C[C@@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000035601434 358002345 /nfs/dbraw/zinc/00/23/45/358002345.db2.gz UHDFAXSDAMNOAE-RKDXNWHRSA-N 1 0 224.260 1.626 20 5 BDBDRO C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035602416 358002495 /nfs/dbraw/zinc/00/24/95/358002495.db2.gz HOJXSEBLAMHWCO-MRVPVSSYSA-N 1 0 210.233 1.065 20 5 BDBDRO C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035602090 358002554 /nfs/dbraw/zinc/00/25/54/358002554.db2.gz ARAFFDMCUWTKMH-SSDOTTSWSA-N 1 0 244.678 1.719 20 5 BDBDRO Cc1c(CN[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000218786184 134259993 /nfs/dbraw/zinc/25/99/93/134259993.db2.gz ZOBVGFZTYRHZRK-NSHDSACASA-N 1 0 235.287 1.355 20 5 BDBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)cn1 ZINC000048322157 358628721 /nfs/dbraw/zinc/62/87/21/358628721.db2.gz WNKNHLXKXVDSOS-UHFFFAOYSA-N 1 0 236.275 1.498 20 5 BDBDRO Cc1ccc(NC(=O)C[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000037386726 363633050 /nfs/dbraw/zinc/63/30/50/363633050.db2.gz UUDJVDQELQPGOY-UHFFFAOYSA-N 1 0 249.270 1.594 20 5 BDBDRO [NH3+]C1(CNc2ccc([N+](=O)[O-])nc2)CCC1 ZINC000236189880 181332289 /nfs/dbraw/zinc/33/22/89/181332289.db2.gz LATFDIJFFZCSOD-UHFFFAOYSA-N 1 0 222.248 1.283 20 5 BDBDRO CC[C@@H]([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000036871437 361574242 /nfs/dbraw/zinc/57/42/42/361574242.db2.gz SMZACYIZYHROPJ-SECBINFHSA-N 1 0 237.259 1.579 20 5 BDBDRO [NH3+]CCCCNc1c(F)cccc1[N+](=O)[O-] ZINC000304549139 181377183 /nfs/dbraw/zinc/37/71/83/181377183.db2.gz OPRGKVVJFHZJHS-UHFFFAOYSA-N 1 0 227.239 1.885 20 5 BDBDRO [NH3+]C[C@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226781317 181463215 /nfs/dbraw/zinc/46/32/15/181463215.db2.gz RDWPSAGJRKKIQI-RNFRBKRXSA-N 1 0 242.304 1.591 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000378733258 371015968 /nfs/dbraw/zinc/01/59/68/371015968.db2.gz LULCHHMMIVZDCB-GHMZBOCLSA-N 1 0 222.244 1.208 20 5 BDBDRO CC(C)[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000092392205 371096959 /nfs/dbraw/zinc/09/69/59/371096959.db2.gz BCBSQVUZXYESPG-NSHDSACASA-N 1 0 238.287 1.701 20 5 BDBDRO O=[N+]([O-])c1cccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000601330658 371750141 /nfs/dbraw/zinc/75/01/41/371750141.db2.gz WKNXKRDWSSCHEX-TXEJJXNPSA-N 1 0 247.298 1.531 20 5 BDBDRO CC[C@H](C)C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602450380 371805590 /nfs/dbraw/zinc/80/55/90/371805590.db2.gz VEARUHAUGAVZAK-VIFPVBQESA-N 1 0 240.307 1.806 20 5 BDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000602600905 371824741 /nfs/dbraw/zinc/82/47/41/371824741.db2.gz XDYLRUHYYQOLBJ-SCZZXKLOSA-N 1 0 249.270 1.157 20 5 BDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000602600900 371825086 /nfs/dbraw/zinc/82/50/86/371825086.db2.gz XDYLRUHYYQOLBJ-PSASIEDQSA-N 1 0 249.270 1.157 20 5 BDBDRO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602894536 371852383 /nfs/dbraw/zinc/85/23/83/371852383.db2.gz IIWASOHPTOKDCM-JTQLQIEISA-N 1 0 238.291 1.607 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1[C@H](C)C[C@H]1C ZINC000602819599 371842245 /nfs/dbraw/zinc/84/22/45/371842245.db2.gz CVHCKFZXLCUUMX-RKDXNWHRSA-N 1 0 238.291 1.582 20 5 BDBDRO CC[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357936395 372186596 /nfs/dbraw/zinc/18/65/96/372186596.db2.gz MXYHLEWJSHLXHR-SNVBAGLBSA-N 1 0 238.291 1.666 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCn2cccn2)c1 ZINC000042351691 374263812 /nfs/dbraw/zinc/26/38/12/374263812.db2.gz IJGWUVAMFZAXIV-UHFFFAOYSA-N 1 0 246.270 1.581 20 5 BDBDRO CC[C@H](C)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174856865 374269263 /nfs/dbraw/zinc/26/92/63/374269263.db2.gz MFTBSXJWIFLXGS-JTQLQIEISA-N 1 0 240.307 1.769 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000053255003 182936763 /nfs/dbraw/zinc/93/67/63/182936763.db2.gz LXJRNSHYKIWPTA-QMMMGPOBSA-N 1 0 239.250 1.898 20 5 BDBDRO C[C@H](C[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000215561079 383865969 /nfs/dbraw/zinc/86/59/69/383865969.db2.gz ULXKPXDSGZHXQE-ATJFRQLMSA-N 1 0 249.270 1.071 20 5 BDBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000134983258 383965145 /nfs/dbraw/zinc/96/51/45/383965145.db2.gz RWCQPUZGJOLBTP-UWVGGRQHSA-N 1 0 238.287 1.701 20 5 BDBDRO Cc1ccc(C[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC000127913286 384011235 /nfs/dbraw/zinc/01/12/35/384011235.db2.gz OCEGFRWUAPTKCX-UHFFFAOYSA-N 1 0 224.260 1.327 20 5 BDBDRO CC(C)(O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000092801107 384172844 /nfs/dbraw/zinc/17/28/44/384172844.db2.gz BHCHZEPGKWKSDR-UHFFFAOYSA-N 1 0 238.287 1.845 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)C1 ZINC000611468481 384170452 /nfs/dbraw/zinc/17/04/52/384170452.db2.gz RVRQNLFOMBBXEY-VIFPVBQESA-N 1 0 238.291 1.442 20 5 BDBDRO C[C@@H](C[NH+](C)C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000286553487 384178348 /nfs/dbraw/zinc/17/83/48/384178348.db2.gz WMQOITZHCZQPKX-QMMMGPOBSA-N 1 0 238.291 1.539 20 5 BDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[NH2+]2)s1 ZINC000226779681 384180522 /nfs/dbraw/zinc/18/05/22/384180522.db2.gz LXOATTVJALTILQ-LURJTMIESA-N 1 0 228.277 1.215 20 5 BDBDRO CCC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000134554593 384353793 /nfs/dbraw/zinc/35/37/93/384353793.db2.gz LFPGHBKHLAZXDT-GFCCVEGCSA-N 1 0 238.287 1.845 20 5 BDBDRO C[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157346239 384374514 /nfs/dbraw/zinc/37/45/14/384374514.db2.gz QYUGFAZHVDVNPA-JTQLQIEISA-N 1 0 238.291 1.666 20 5 BDBDRO C[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000126728395 384383513 /nfs/dbraw/zinc/38/35/13/384383513.db2.gz FSLPZUSWCGIAST-VIFPVBQESA-N 1 0 224.260 1.407 20 5 BDBDRO CCCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176189609 384449428 /nfs/dbraw/zinc/44/94/28/384449428.db2.gz MTKMMCZTMCHGCC-UHFFFAOYSA-N 1 0 226.280 1.523 20 5 BDBDRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000235530820 384433887 /nfs/dbraw/zinc/43/38/87/384433887.db2.gz UKXSQOKUWBAEII-JQWIXIFHSA-N 1 0 249.314 1.997 20 5 BDBDRO Cc1ccc([C@H](C)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422917935 384488696 /nfs/dbraw/zinc/48/86/96/384488696.db2.gz GEXNRIVEZWCTEJ-CMPLNLGQSA-N 1 0 249.314 1.916 20 5 BDBDRO C[C@@H](N[C@@H](C)C1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000423011355 384493485 /nfs/dbraw/zinc/49/34/85/384493485.db2.gz AXKZJOGBVYSTDI-VHSXEESVSA-N 1 0 249.314 1.853 20 5 BDBDRO C[C@H](C[NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262586553 384685501 /nfs/dbraw/zinc/68/55/01/384685501.db2.gz VMVNDKFHEKGTEU-MRVPVSSYSA-N 1 0 249.270 1.079 20 5 BDBDRO CN(CC[NH3+])C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000054417541 384735198 /nfs/dbraw/zinc/73/51/98/384735198.db2.gz FPDTZCMGPJOVCR-AATRIKPKSA-N 1 0 249.270 1.025 20 5 BDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)C ZINC000176245299 385046929 /nfs/dbraw/zinc/04/69/29/385046929.db2.gz FSRGPKKDFASECO-UHFFFAOYSA-N 1 0 240.307 1.769 20 5 BDBDRO C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000085447344 385187413 /nfs/dbraw/zinc/18/74/13/385187413.db2.gz MBASVUCAMVACQA-ZETCQYMHSA-N 1 0 244.678 1.719 20 5 BDBDRO C[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000062727297 385148415 /nfs/dbraw/zinc/14/84/15/385148415.db2.gz JMAZAGNDJFBCLQ-JTQLQIEISA-N 1 0 238.287 1.450 20 5 BDBDRO C[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292167705 385614136 /nfs/dbraw/zinc/61/41/36/385614136.db2.gz PGJRHIDQDRRFLY-VIFPVBQESA-N 1 0 238.287 1.800 20 5 BDBDRO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[NH2+]C1 ZINC000052093747 385659796 /nfs/dbraw/zinc/65/97/96/385659796.db2.gz YHZHVVLLUHQEIC-QMMMGPOBSA-N 1 0 225.223 1.508 20 5 BDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)C[NH+](C)C ZINC000336687998 385705873 /nfs/dbraw/zinc/70/58/73/385705873.db2.gz GWCHAUPMEKYDEF-VIFPVBQESA-N 1 0 238.291 1.599 20 5 BDBDRO C[C@H]1[NH2+]CCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000396633933 385714339 /nfs/dbraw/zinc/71/43/39/385714339.db2.gz JSXOVQGLPHBIOX-ZWNOBZJWSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@H](CCCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000087358928 386194301 /nfs/dbraw/zinc/19/43/01/386194301.db2.gz PJPPSEPJZXCQJE-MRVPVSSYSA-N 1 0 244.316 1.907 20 5 BDBDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000414922771 386593415 /nfs/dbraw/zinc/59/34/15/386593415.db2.gz GMRVULNVPWAWEE-GWCFXTLKSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000228067763 386566261 /nfs/dbraw/zinc/56/62/61/386566261.db2.gz JKGOCBMPQIOHMM-NXEZZACHSA-N 1 0 238.287 1.844 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H]2O)cs1 ZINC000164221336 386650058 /nfs/dbraw/zinc/65/00/58/386650058.db2.gz PDZFFCQMULIQHE-RKDXNWHRSA-N 1 0 242.300 1.659 20 5 BDBDRO CC[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000269083696 386775758 /nfs/dbraw/zinc/77/57/58/386775758.db2.gz GOGJHCURQGAPHC-JTQLQIEISA-N 1 0 249.270 1.221 20 5 BDBDRO Cc1ccc(NC(=O)C2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000088129698 386841305 /nfs/dbraw/zinc/84/13/05/386841305.db2.gz VOEYBBHHXQXUAA-UHFFFAOYSA-N 1 0 235.243 1.333 20 5 BDBDRO [NH3+]C[C@@H](NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414811060 387139189 /nfs/dbraw/zinc/13/91/89/387139189.db2.gz WACBEUPUMBZIJP-GFCCVEGCSA-N 1 0 235.287 1.422 20 5 BDBDRO C[C@H](O)C(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000160614607 387360126 /nfs/dbraw/zinc/36/01/26/387360126.db2.gz QOUZOPXIHFETNP-ZETCQYMHSA-N 1 0 244.316 1.905 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C[NH3+] ZINC000347111422 387451923 /nfs/dbraw/zinc/45/19/23/387451923.db2.gz QFXOZTDOCPARFK-CYBMUJFWSA-N 1 0 249.314 1.826 20 5 BDBDRO Cc1ccc(CN[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415006668 387651242 /nfs/dbraw/zinc/65/12/42/387651242.db2.gz KUVYATSCWWODQV-UWVGGRQHSA-N 1 0 237.303 1.729 20 5 BDBDRO C[C@H](O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000227953777 388373936 /nfs/dbraw/zinc/37/39/36/388373936.db2.gz AKROKVYGWPUJFM-JTQLQIEISA-N 1 0 238.287 1.845 20 5 BDBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1 ZINC000271587763 388393458 /nfs/dbraw/zinc/39/34/58/388393458.db2.gz FUDNUBJDPQKJMI-LLVKDONJSA-N 1 0 239.275 1.371 20 5 BDBDRO C[C@@H](CCCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000094942324 388434005 /nfs/dbraw/zinc/43/40/05/388434005.db2.gz NAHNGMGFUIMQKD-JTQLQIEISA-N 1 0 238.287 1.845 20 5 BDBDRO Cc1ccnc(N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000301485366 388593300 /nfs/dbraw/zinc/59/33/00/388593300.db2.gz WNWRTBZJJDROIX-UHFFFAOYSA-N 1 0 238.291 1.296 20 5 BDBDRO C[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CO1 ZINC000401826775 388610959 /nfs/dbraw/zinc/61/09/59/388610959.db2.gz BPIYOBACCNWVEX-ONGXEEELSA-N 1 0 236.271 1.862 20 5 BDBDRO C[NH2+][C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000123204520 388633010 /nfs/dbraw/zinc/63/30/10/388633010.db2.gz HWIPUDXXHTYJEY-NSHDSACASA-N 1 0 235.287 1.389 20 5 BDBDRO CC[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000446719772 388733918 /nfs/dbraw/zinc/73/39/18/388733918.db2.gz QOUNSQSCXVERMN-SECBINFHSA-N 1 0 238.291 1.560 20 5 BDBDRO CC[C@H](O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000124308037 388745688 /nfs/dbraw/zinc/74/56/88/388745688.db2.gz VQDASYJCXFNECX-LBPRGKRZSA-N 1 0 238.287 1.845 20 5 BDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000423217608 388688079 /nfs/dbraw/zinc/68/80/79/388688079.db2.gz SDQTUCXUHUUWOF-JQWIXIFHSA-N 1 0 249.314 1.477 20 5 BDBDRO C[C@H](N[C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423269812 388689932 /nfs/dbraw/zinc/68/99/32/388689932.db2.gz FXAXFELLMRNYKA-ZANVPECISA-N 1 0 249.314 1.983 20 5 BDBDRO Cc1ccc([C@H](C)NCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000423308737 388690680 /nfs/dbraw/zinc/69/06/80/388690680.db2.gz YFOBXNVUPJXTOU-JTQLQIEISA-N 1 0 249.314 1.773 20 5 BDBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330393787 388756621 /nfs/dbraw/zinc/75/66/21/388756621.db2.gz CGMASFOHXMJEDZ-DTWKUNHWSA-N 1 0 238.291 1.607 20 5 BDBDRO C[C@@H]([NH2+]CCCO)c1ccccc1[N+](=O)[O-] ZINC000020526248 388774611 /nfs/dbraw/zinc/77/46/11/388774611.db2.gz PLOVOEISOLGNAK-SECBINFHSA-N 1 0 224.260 1.628 20 5 BDBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000400550470 533450872 /nfs/dbraw/zinc/45/08/72/533450872.db2.gz XHXHWXMMNHXWHX-MFKMUULPSA-N 1 0 249.314 1.825 20 5 BDBDRO Cc1ccc(N2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052783384 132228822 /nfs/dbraw/zinc/22/88/22/132228822.db2.gz WABSJSLTGJWLHN-JTQLQIEISA-N 1 0 235.287 1.701 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])C2)c1 ZINC000094663254 132238929 /nfs/dbraw/zinc/23/89/29/132238929.db2.gz LVSCQUYTBAZBJU-SNVBAGLBSA-N 1 0 235.287 1.831 20 5 BDBDRO C[C@@H]([NH3+])CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149418497 134449380 /nfs/dbraw/zinc/44/93/80/134449380.db2.gz ZAHRQUGQXSMZAS-ZCFIWIBFSA-N 1 0 244.682 1.792 20 5 BDBDRO C[C@@H]([NH3+])CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000235157538 134587558 /nfs/dbraw/zinc/58/75/58/134587558.db2.gz OKVJJCHTCGJSEY-ZCFIWIBFSA-N 1 0 244.682 1.792 20 5 BDBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])nc1 ZINC000130623244 134621702 /nfs/dbraw/zinc/62/17/02/134621702.db2.gz JZVSOWBHWYHDQZ-QMMMGPOBSA-N 1 0 224.264 1.352 20 5 BDBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])cc1 ZINC000168330572 134875434 /nfs/dbraw/zinc/87/54/34/134875434.db2.gz WWBCUMSFXORITA-SECBINFHSA-N 1 0 223.276 1.862 20 5 BDBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C1C[NH2+]C1 ZINC000261541216 135181131 /nfs/dbraw/zinc/18/11/31/135181131.db2.gz AWHQJZQDLAXCHG-UHFFFAOYSA-N 1 0 239.250 1.138 20 5 BDBDRO Cc1nc(N2C[C@@H](C)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000261543492 135185016 /nfs/dbraw/zinc/18/50/16/135185016.db2.gz TUEPMHXDKLWODJ-VXNVDRBHSA-N 1 0 236.275 1.082 20 5 BDBDRO C[C@]1(C[NH3+])CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000261544066 135185513 /nfs/dbraw/zinc/18/55/13/135185513.db2.gz DOCOPRBIRVGDPP-LLVKDONJSA-N 1 0 236.275 1.165 20 5 BDBDRO C[C@@H]([NH3+])[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000261553022 135191829 /nfs/dbraw/zinc/19/18/29/135191829.db2.gz NPVHWOZIRLKRBA-UTLUCORTSA-N 1 0 237.303 1.981 20 5 BDBDRO C[C@@H]([NH3+])[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000261553020 135192327 /nfs/dbraw/zinc/19/23/27/135192327.db2.gz NPVHWOZIRLKRBA-BBBLOLIVSA-N 1 0 237.303 1.981 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261554403 135193849 /nfs/dbraw/zinc/19/38/49/135193849.db2.gz AXDMLNPKUOUWRD-MNOVXSKESA-N 1 0 247.298 1.783 20 5 BDBDRO [NH3+][C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261555502 135195448 /nfs/dbraw/zinc/19/54/48/135195448.db2.gz PTNDOWDJIXQMPI-SECBINFHSA-N 1 0 239.250 1.267 20 5 BDBDRO C[C@@H]1[C@H]([NH3+])CCN1c1c(F)cccc1[N+](=O)[O-] ZINC000261557473 135197557 /nfs/dbraw/zinc/19/75/57/135197557.db2.gz RTPASTYECUJGID-VXNVDRBHSA-N 1 0 239.250 1.660 20 5 BDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)[NH2+]C ZINC000261560197 135201529 /nfs/dbraw/zinc/20/15/29/135201529.db2.gz ULTIDSGNGIXYDF-ZETCQYMHSA-N 1 0 241.295 1.139 20 5 BDBDRO C[C@H]1[C@H]([NH3+])CCN1Cc1csc([N+](=O)[O-])c1 ZINC000261570121 135212629 /nfs/dbraw/zinc/21/26/29/135212629.db2.gz GRFSDKQIGHATBO-IONNQARKSA-N 1 0 241.316 1.578 20 5 BDBDRO C[C@@]1(C[NH3+])CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000261572937 135215198 /nfs/dbraw/zinc/21/51/98/135215198.db2.gz MBYSEFKXWKMWIZ-ZDUSSCGKSA-N 1 0 249.314 1.766 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000261578811 135219665 /nfs/dbraw/zinc/21/96/65/135219665.db2.gz PDJDPABVFXFYAP-GXSJLCMTSA-N 1 0 248.286 1.178 20 5 BDBDRO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000089105846 135529750 /nfs/dbraw/zinc/52/97/50/135529750.db2.gz NKRAOJZJRRECMB-SCZZXKLOSA-N 1 0 236.275 1.529 20 5 BDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCO ZINC000344878883 135804734 /nfs/dbraw/zinc/80/47/34/135804734.db2.gz VKLDVOKJZPEWJL-YFHOEESVSA-N 1 0 236.271 1.580 20 5 BDBDRO CC[NH+](CC)CCn1cnc([N+](=O)[O-])c1 ZINC000131189118 169784958 /nfs/dbraw/zinc/78/49/58/169784958.db2.gz CKBQDJPWASJZQX-UHFFFAOYSA-N 1 0 212.253 1.133 20 5 BDBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000086466935 411405772 /nfs/dbraw/zinc/40/57/72/411405772.db2.gz DYASVIOJJHHVHT-MNOVXSKESA-N 1 0 249.314 1.777 20 5 BDBDRO CC[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000125386496 171013122 /nfs/dbraw/zinc/01/31/22/171013122.db2.gz WGAMDUGPCJIJKR-SNVBAGLBSA-N 1 0 238.291 1.523 20 5 BDBDRO C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000049099869 173055264 /nfs/dbraw/zinc/05/52/64/173055264.db2.gz BGYGZRRYUJVGMD-VIFPVBQESA-N 1 0 236.275 1.496 20 5 BDBDRO C[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000034979684 173333708 /nfs/dbraw/zinc/33/37/08/173333708.db2.gz FPFQEUBFFNJSJA-UHFFFAOYSA-N 1 0 223.232 1.061 20 5 BDBDRO C[NH2+]CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000034979690 173335244 /nfs/dbraw/zinc/33/52/44/173335244.db2.gz VHCLRXRGOVXJLS-UHFFFAOYSA-N 1 0 223.232 1.061 20 5 BDBDRO C[NH2+]CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000069800682 173353715 /nfs/dbraw/zinc/35/37/15/173353715.db2.gz DGYONFUSTGCGSI-UHFFFAOYSA-N 1 0 223.276 1.246 20 5 BDBDRO COCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000298791076 174279806 /nfs/dbraw/zinc/27/98/06/174279806.db2.gz RSGFHYPMHNXXMQ-UHFFFAOYSA-N 1 0 238.287 1.716 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCO ZINC000281956240 176026427 /nfs/dbraw/zinc/02/64/27/176026427.db2.gz UUHKWXZWSPXYHV-JTQLQIEISA-N 1 0 238.287 1.970 20 5 BDBDRO C[C@@H]1[NH2+]CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000346684941 176460896 /nfs/dbraw/zinc/46/08/96/176460896.db2.gz SHDVWYXTYDFREZ-QWRGUYRKSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000267612016 177256053 /nfs/dbraw/zinc/25/60/53/177256053.db2.gz BOLMAYSWANSHIR-UWVGGRQHSA-N 1 0 238.291 1.379 20 5 BDBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1ccccc1[N+](=O)[O-] ZINC000126102320 177324782 /nfs/dbraw/zinc/32/47/82/177324782.db2.gz XJSSFBABKUAJMX-UWVGGRQHSA-N 1 0 235.287 1.768 20 5 BDBDRO C[C@H]1C[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357953492 177359643 /nfs/dbraw/zinc/35/96/43/177359643.db2.gz BYCQOKZFSUZSRR-UWVGGRQHSA-N 1 0 238.291 1.522 20 5 BDBDRO C[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570410172 323058766 /nfs/dbraw/zinc/05/87/66/323058766.db2.gz FWUIJOMYHXGDFZ-GZMMTYOYSA-N 1 0 236.271 1.553 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1C[NH2+]C1)CCC2 ZINC000571632574 323150006 /nfs/dbraw/zinc/15/00/06/323150006.db2.gz ZXGGKQRHNFCVPL-CYBMUJFWSA-N 1 0 247.298 1.534 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CO ZINC000127574706 324775405 /nfs/dbraw/zinc/77/54/05/324775405.db2.gz DTOFQDJCRMCDLW-UWVGGRQHSA-N 1 0 238.287 1.935 20 5 BDBDRO CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665267 325164766 /nfs/dbraw/zinc/16/47/66/325164766.db2.gz UPZHZSDJUKHBBM-SECBINFHSA-N 1 0 236.275 1.496 20 5 BDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC(C)(C)[NH3+] ZINC000261546786 535970259 /nfs/dbraw/zinc/97/02/59/535970259.db2.gz HIMOWSLIVWWCQP-UHFFFAOYSA-N 1 0 241.295 1.269 20 5 BDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])nc2)C1 ZINC000893934582 583252900 /nfs/dbraw/zinc/25/29/00/583252900.db2.gz IDNMCALKBJNFIO-ONGXEEELSA-N 1 0 248.286 1.130 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2COCO2)cs1 ZINC000894870464 583539744 /nfs/dbraw/zinc/53/97/44/583539744.db2.gz JVWHMYTZBOBVHL-MRVPVSSYSA-N 1 0 244.272 1.119 20 5 BDBDRO CN1CC[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000895770979 583724997 /nfs/dbraw/zinc/72/49/97/583724997.db2.gz FFGYTTYABVXZEV-ZETCQYMHSA-N 1 0 227.289 1.772 20 5 BDBDRO Cc1ccc(OCC[NH2+]CC[N+](=O)[O-])c(C)c1 ZINC000899861509 584242534 /nfs/dbraw/zinc/24/25/34/584242534.db2.gz SLVKBQFPRQVIOA-UHFFFAOYSA-N 1 0 238.287 1.549 20 5 BDBDRO Cc1ccccc1C[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000899871416 584244467 /nfs/dbraw/zinc/24/44/67/584244467.db2.gz QMGZZFJIAKBNBA-LLVKDONJSA-N 1 0 222.288 1.792 20 5 BDBDRO CN(C)[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccsc1 ZINC000899865866 584245405 /nfs/dbraw/zinc/24/54/05/584245405.db2.gz LAWDUTBSXKILGL-JTQLQIEISA-N 1 0 243.332 1.217 20 5 BDBDRO C[C@H]([NH2+]CCCON)c1ccc([N+](=O)[O-])cc1 ZINC000902432177 584595315 /nfs/dbraw/zinc/59/53/15/584595315.db2.gz OEDWEGDLACUJAL-VIFPVBQESA-N 1 0 239.275 1.526 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CNOC1 ZINC000904421494 584881811 /nfs/dbraw/zinc/88/18/11/584881811.db2.gz HBGLUAOMZWXCQY-JOAKQRRISA-N 1 0 249.270 1.101 20 5 BDBDRO O=[N+]([O-])c1ccc(-n2cnc(CCCO)c2)nc1 ZINC000731902191 584931076 /nfs/dbraw/zinc/93/10/76/584931076.db2.gz AUBSLZPBTYCFHB-UHFFFAOYSA-N 1 0 248.242 1.100 20 5 BDBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000744442075 585150310 /nfs/dbraw/zinc/15/03/10/585150310.db2.gz WHIZIGNYDZSCJH-VHSXEESVSA-N 1 0 238.291 1.869 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccoc2)c1 ZINC000769424419 585556044 /nfs/dbraw/zinc/55/60/44/585556044.db2.gz SSTPKBPDQPCWGW-UHFFFAOYSA-N 1 0 236.231 1.174 20 5 BDBDRO CC[N@H+](CC1CCC1)Cn1cc([N+](=O)[O-])cn1 ZINC000794682539 586046547 /nfs/dbraw/zinc/04/65/47/586046547.db2.gz HSKCFRYZDCIOOB-UHFFFAOYSA-N 1 0 238.291 1.871 20 5 BDBDRO COCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552669 586687736 /nfs/dbraw/zinc/68/77/36/586687736.db2.gz HJGSCJPSBNRYIH-QMMMGPOBSA-N 1 0 239.275 1.474 20 5 BDBDRO C[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000843186858 588091567 /nfs/dbraw/zinc/09/15/67/588091567.db2.gz FWPZULGULLNWQC-UHFFFAOYSA-N 1 0 248.242 1.673 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CO ZINC000873063172 589982344 /nfs/dbraw/zinc/98/23/44/589982344.db2.gz MMEVFDVDQTWPJS-VIFPVBQESA-N 1 0 238.287 1.682 20 5 BDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3C=CCC3)C2)c1 ZINC000877624871 590376643 /nfs/dbraw/zinc/37/66/43/590376643.db2.gz UGEPZQHKVSMPGL-KPPDAEKUSA-N 1 0 248.286 1.803 20 5 BDBDRO Cc1ccnc(NC[C@@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000129331455 591279389 /nfs/dbraw/zinc/27/93/89/591279389.db2.gz IJVVHQBLHFDDDK-SECBINFHSA-N 1 0 236.275 1.447 20 5 BDBDRO CN(Cc1c[nH]cn1)Cc1cccnc1[N+](=O)[O-] ZINC000886274434 592194457 /nfs/dbraw/zinc/19/44/57/592194457.db2.gz SYLDTZIUQOASST-UHFFFAOYSA-N 1 0 247.258 1.345 20 5 BDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](CF)C1 ZINC000886317117 592207676 /nfs/dbraw/zinc/20/76/76/592207676.db2.gz YVNCSNFNHVPLIR-SECBINFHSA-N 1 0 239.250 1.781 20 5 BDBDRO C[C@H]([NH3+])CN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000310258768 635458536 /nfs/dbraw/zinc/45/85/36/635458536.db2.gz FZNGMNWWILNADN-QMMMGPOBSA-N 1 0 237.259 1.014 20 5 BDBDRO O=[N+]([O-])c1ccc(OC[C@@H]2CC[NH2+]C2)cc1F ZINC000051890774 632000152 /nfs/dbraw/zinc/00/01/52/632000152.db2.gz HQWAQUIUCTXKQO-MRVPVSSYSA-N 1 0 240.234 1.722 20 5 BDBDRO C[C@@H]([NH3+])CN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000309408739 632049591 /nfs/dbraw/zinc/04/95/91/632049591.db2.gz IJDGXTPSZSCVMT-SSDOTTSWSA-N 1 0 227.239 1.517 20 5 BDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[NH2+]2)cc1 ZINC000236418770 632783360 /nfs/dbraw/zinc/78/33/60/632783360.db2.gz YMLVBPOJNANFJW-NSHDSACASA-N 1 0 235.287 1.436 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000930747530 634083377 /nfs/dbraw/zinc/08/33/77/634083377.db2.gz QTMWHVJSXACJAX-LLVKDONJSA-N 1 0 212.293 1.775 20 5 BDBDRO [NH3+]C1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000904449201 637415206 /nfs/dbraw/zinc/41/52/06/637415206.db2.gz GHUWPOJDWHMBBQ-UHFFFAOYSA-N 1 0 221.260 1.176 20 5 BDBDRO CO[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905041363 637559438 /nfs/dbraw/zinc/55/94/38/637559438.db2.gz SNXKJLQSLAWFFF-NSHDSACASA-N 1 0 224.260 1.240 20 5 BDBDRO COc1ccc(C)cc1CC[NH2+]CC[N+](=O)[O-] ZINC000905024137 637575514 /nfs/dbraw/zinc/57/55/14/637575514.db2.gz ITLILAGFDMFWIB-UHFFFAOYSA-N 1 0 238.287 1.412 20 5 BDBDRO CC(=O)Nc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905029859 637577252 /nfs/dbraw/zinc/57/72/52/637577252.db2.gz CPHJIHVIIHGIGF-UHFFFAOYSA-N 1 0 237.259 1.011 20 5 BDBDRO Cc1csc(CCCC[NH2+]CC[N+](=O)[O-])n1 ZINC000905086180 637586438 /nfs/dbraw/zinc/58/64/38/637586438.db2.gz AVRLWJMIVJFEMP-UHFFFAOYSA-N 1 0 243.332 1.641 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCc1cccc(F)c1 ZINC000905105950 637613478 /nfs/dbraw/zinc/61/34/78/637613478.db2.gz MYSJTOAXDPLMEO-UHFFFAOYSA-N 1 0 226.251 1.625 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1OCCc2ccccc21 ZINC000905110148 637618278 /nfs/dbraw/zinc/61/82/78/637618278.db2.gz JBKVPSJILCEVKD-GFCCVEGCSA-N 1 0 236.271 1.167 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(F)cc1Cl ZINC000905116572 637622555 /nfs/dbraw/zinc/62/25/55/637622555.db2.gz FUIKMZYDYPAWFI-UHFFFAOYSA-N 1 0 246.669 1.888 20 5 BDBDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[N+](=O)[O-] ZINC000905121297 637627864 /nfs/dbraw/zinc/62/78/64/637627864.db2.gz CJMGBMBNSGDROA-UHFFFAOYSA-N 1 0 237.303 1.427 20 5 BDBDRO CC(C)[C@@H](C[NH2+]CC[N+](=O)[O-])c1cccnc1 ZINC000905155720 637639746 /nfs/dbraw/zinc/63/97/46/637639746.db2.gz VAEVRJPDUVONRH-GFCCVEGCSA-N 1 0 237.303 1.688 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000905135973 637646040 /nfs/dbraw/zinc/64/60/40/637646040.db2.gz YOOSWLDWCXFTQA-UHFFFAOYSA-N 1 0 247.298 1.429 20 5 BDBDRO CCC1(C[NH2+]CC[N+](=O)[O-])CCOCC1 ZINC000905146621 637657229 /nfs/dbraw/zinc/65/72/29/637657229.db2.gz OWMLDLIGILSPMY-UHFFFAOYSA-N 1 0 216.281 1.060 20 5 BDBDRO CCOCCC1(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905182110 637663690 /nfs/dbraw/zinc/66/36/90/637663690.db2.gz WRZYDVVFWWMPKZ-UHFFFAOYSA-N 1 0 216.281 1.060 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2sccc21 ZINC000905214835 637699252 /nfs/dbraw/zinc/69/92/52/637699252.db2.gz JJTSJYGHSSCIAT-SECBINFHSA-N 1 0 226.301 1.992 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCc1ccccc1F ZINC000905247801 637706561 /nfs/dbraw/zinc/70/65/61/637706561.db2.gz MIEYGZOWZTYUTA-UHFFFAOYSA-N 1 0 226.251 1.625 20 5 BDBDRO C[C@@H]1Oc2ccccc2[C@H]1NCC[N+](=O)[O-] ZINC000905260886 637716361 /nfs/dbraw/zinc/71/63/61/637716361.db2.gz OVNNOWWMLWTLME-KWQFWETISA-N 1 0 222.244 1.375 20 5 BDBDRO Cc1cccnc1CCC[NH2+]CC[N+](=O)[O-] ZINC000905271414 637729699 /nfs/dbraw/zinc/72/96/99/637729699.db2.gz BZWXTFMESBSPOD-UHFFFAOYSA-N 1 0 223.276 1.189 20 5 BDBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NCC[N+](=O)[O-] ZINC000905274383 637731550 /nfs/dbraw/zinc/73/15/50/637731550.db2.gz RBGXFCOFAVUPLM-LBPRGKRZSA-N 1 0 243.351 1.363 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCC1(F)F ZINC000905280140 637735454 /nfs/dbraw/zinc/73/54/54/637735454.db2.gz OZBTUJXJUQXVHK-SSDOTTSWSA-N 1 0 208.208 1.288 20 5 BDBDRO CC1(C)C[C@@H](C[NH2+]CC[N+](=O)[O-])CCO1 ZINC000905281983 637736722 /nfs/dbraw/zinc/73/67/22/637736722.db2.gz WVJQUTSTVUHJGE-VIFPVBQESA-N 1 0 216.281 1.058 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000905356248 637775672 /nfs/dbraw/zinc/77/56/72/637775672.db2.gz FYWPHKQARKGLBD-NSHDSACASA-N 1 0 230.308 1.042 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000905383064 637784326 /nfs/dbraw/zinc/78/43/26/637784326.db2.gz RGQFXWFFQZRAAS-CYBMUJFWSA-N 1 0 249.314 1.127 20 5 BDBDRO Cc1ccc(C(C)(C)C[NH2+]CC[N+](=O)[O-])nc1 ZINC000905387524 637786746 /nfs/dbraw/zinc/78/67/46/637786746.db2.gz AMXPKJLJKQFJIN-UHFFFAOYSA-N 1 0 237.303 1.534 20 5 BDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000905363843 637788222 /nfs/dbraw/zinc/78/82/22/637788222.db2.gz GXKDTLQVAFYFFQ-KWQFWETISA-N 1 0 242.250 1.114 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000905397320 637794786 /nfs/dbraw/zinc/79/47/86/637794786.db2.gz VWFTZALWBODVBM-UHFFFAOYSA-N 1 0 240.225 1.975 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000905404890 637797566 /nfs/dbraw/zinc/79/75/66/637797566.db2.gz PJFXRBCPWNCZFX-LLVKDONJSA-N 1 0 242.319 1.592 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000905655785 637872618 /nfs/dbraw/zinc/87/26/18/637872618.db2.gz PYCLQXRHFFDRHG-ZDUSSCGKSA-N 1 0 234.299 1.800 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@H]1COc1cccnc1[N+](=O)[O-] 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O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccco2)C1 ZINC001168967315 969321743 /nfs/dbraw/zinc/32/17/43/969321743.db2.gz OGRQMBUGQKESNB-GHMZBOCLSA-N 1 0 238.287 1.857 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H](F)C2)C1 ZINC001168969280 969321876 /nfs/dbraw/zinc/32/18/76/969321876.db2.gz CVTZFIRIHZQCSZ-AATLWQCWSA-N 1 0 216.256 1.522 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001168966906 969321954 /nfs/dbraw/zinc/32/19/54/969321954.db2.gz MAIGEBHXBUHYFG-VWYCJHECSA-N 1 0 228.292 1.058 20 5 BDBDRO CO[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168971443 969324331 /nfs/dbraw/zinc/32/43/31/969324331.db2.gz KZBLYGIYZQSAKU-VLEAKVRGSA-N 1 0 228.292 1.199 20 5 BDBDRO COCC[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005356 969329005 /nfs/dbraw/zinc/32/90/05/969329005.db2.gz BDNKAVDQBMCAEI-VHSXEESVSA-N 1 0 216.281 1.010 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(F)CC2)C1 ZINC001169006649 969329168 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O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(CO)CC2)C1 ZINC001169013984 969342892 /nfs/dbraw/zinc/34/28/92/969342892.db2.gz XHGDPLFJFCSUKM-RYUDHWBXSA-N 1 0 242.319 1.136 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](F)C2)C1 ZINC001169027415 969345238 /nfs/dbraw/zinc/34/52/38/969345238.db2.gz PKHSMTMEKVCVOP-MXWKQRLJSA-N 1 0 230.283 1.866 20 5 BDBDRO C[NH+](C)C1(C)CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169035251 969351455 /nfs/dbraw/zinc/35/14/55/969351455.db2.gz JRKQBUAZLQHWNW-QWRGUYRKSA-N 1 0 241.335 1.068 20 5 BDBDRO C[N@H+](CC1(C)COC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034591 969351658 /nfs/dbraw/zinc/35/16/58/969351658.db2.gz IEKAUAXVRIILSQ-QWRGUYRKSA-N 1 0 242.319 1.400 20 5 BDBDRO C[C@H]1C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)O1 ZINC001169038214 969357524 /nfs/dbraw/zinc/35/75/24/969357524.db2.gz XCIULFPSKWZYKC-BJDJZHNGSA-N 1 0 242.319 1.541 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]3C[C@@H]32)C1 ZINC001169042447 969361976 /nfs/dbraw/zinc/36/19/76/969361976.db2.gz DMHRXZOXEHPVTB-WYUUTHIRSA-N 1 0 224.304 1.916 20 5 BDBDRO C[N@H+](Cc1ccno1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046891 969365161 /nfs/dbraw/zinc/36/51/61/969365161.db2.gz OFOZNKKQHSOUPC-NXEZZACHSA-N 1 0 239.275 1.552 20 5 BDBDRO C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001169057478 969371048 /nfs/dbraw/zinc/37/10/48/969371048.db2.gz VVYCKIJGPQZIQC-MXWKQRLJSA-N 1 0 228.292 1.153 20 5 BDBDRO C[C@H]([NH3+])c1ccn(-c2cccnc2[N+](=O)[O-])n1 ZINC001169231278 969506759 /nfs/dbraw/zinc/50/67/59/969506759.db2.gz HDAIBAABNZKCFW-ZETCQYMHSA-N 1 0 233.231 1.195 20 5 BDBDRO [NH3+]CCON=c1ccc2c(cccc2[N+](=O)[O-])[nH]1 ZINC001156291768 969565148 /nfs/dbraw/zinc/56/51/48/969565148.db2.gz LHTQSUSYCLKBEM-UHFFFAOYSA-N 1 0 248.242 1.445 20 5 BDBDRO Cn1c[nH+]cc1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209935451 969695335 /nfs/dbraw/zinc/69/53/35/969695335.db2.gz WODQJMSZGLYCJB-UHFFFAOYSA-N 1 0 233.231 1.654 20 5 BDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1(C[NH3+])CC1 ZINC001254548361 969736600 /nfs/dbraw/zinc/73/66/00/969736600.db2.gz HUDWJWLTSDKCAD-SNVBAGLBSA-N 1 0 249.314 1.607 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCOC1)C2 ZINC001254566901 969739352 /nfs/dbraw/zinc/73/93/52/969739352.db2.gz LDJWJUJABUVFSX-VXGBXAGGSA-N 1 0 248.282 1.441 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1COC1)C2 ZINC001254569398 969741581 /nfs/dbraw/zinc/74/15/81/969741581.db2.gz XOLWDCISSKYYLO-JTQLQIEISA-N 1 0 234.255 1.050 20 5 BDBDRO CC1([NH3+])CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254590048 969743753 /nfs/dbraw/zinc/74/37/53/969743753.db2.gz TVVADOZUQKZXFH-LBPRGKRZSA-N 1 0 247.298 1.095 20 5 BDBDRO [NH3+]Cc1ccn(-c2ccc([N+](=O)[O-])cn2)c1 ZINC001169716389 969829790 /nfs/dbraw/zinc/82/97/90/969829790.db2.gz IKYKVPXGSOBOIM-UHFFFAOYSA-N 1 0 218.216 1.239 20 5 BDBDRO [NH3+][C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000304387753 970589085 /nfs/dbraw/zinc/58/90/85/970589085.db2.gz SDORTHUMTNTHKQ-LURJTMIESA-N 1 0 242.666 1.181 20 5 BDBDRO Cc1cc(CO[C@H](C)C[N+](C)(C)C)n(C)n1 ZINC001222701857 972645745 /nfs/dbraw/zinc/64/57/45/972645745.db2.gz DMEKLLZJKSEHGZ-LLVKDONJSA-N 1 0 226.344 1.340 20 5 BDBDRO C[C@H]1COCC[C@H]1OCCC[N+](C)(C)C ZINC001224621059 973802090 /nfs/dbraw/zinc/80/20/90/973802090.db2.gz JRCXSRAENRTNGL-NWDGAFQWSA-N 1 0 216.345 1.524 20 5 BDBDRO C[C@@H]1COCC[C@@H]1OCCC[N+](C)(C)C ZINC001224621058 973803354 /nfs/dbraw/zinc/80/33/54/973803354.db2.gz JRCXSRAENRTNGL-NEPJUHHUSA-N 1 0 216.345 1.524 20 5 BDBDRO CC(=O)OCCCCO[C@@H](C)C[N+](C)(C)C ZINC001224718843 973887523 /nfs/dbraw/zinc/88/75/23/973887523.db2.gz FNZFBBFFMDPVEE-NSHDSACASA-N 1 0 232.344 1.441 20 5 BDBDRO C[C@@H](OCC[N+](C)(C)C)c1cncnc1 ZINC001224773208 973937608 /nfs/dbraw/zinc/93/76/08/973937608.db2.gz FPTQVOYBDMAZDM-SNVBAGLBSA-N 1 0 210.301 1.260 20 5 BDBDRO C[C@H](OCC[N+](C)(C)C)c1nccs1 ZINC001224775206 973944587 /nfs/dbraw/zinc/94/45/87/973944587.db2.gz JTVYDPARQHXNEB-VIFPVBQESA-N 1 0 215.342 1.927 20 5 BDBDRO CCCCOC[C@@H](C)OCC[N+](C)(C)C ZINC001224776704 973944386 /nfs/dbraw/zinc/94/43/86/973944386.db2.gz YLLWOKYVESWMDH-GFCCVEGCSA-N 1 0 218.361 1.914 20 5 BDBDRO C[N@@H+]1CC[C@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225382502 974459182 /nfs/dbraw/zinc/45/91/82/974459182.db2.gz OPTFRYYJOWUFGX-VIFPVBQESA-N 1 0 240.234 1.817 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1nnnc2ccccc21 ZINC001226398236 974880409 /nfs/dbraw/zinc/88/04/09/974880409.db2.gz BCLUFZSDFHCEFB-SNVBAGLBSA-N 1 0 247.322 1.498 20 5 BDBDRO Cc1ccnnc1O[C@H](C)C[N+](C)(C)C ZINC001226643521 974993505 /nfs/dbraw/zinc/99/35/05/974993505.db2.gz FRGRMLPHOSGVOV-SNVBAGLBSA-N 1 0 210.301 1.259 20 5 BDBDRO Cc1ccnnc1O[C@@H](C)C[N+](C)(C)C ZINC001226643520 974994832 /nfs/dbraw/zinc/99/48/32/974994832.db2.gz FRGRMLPHOSGVOV-JTQLQIEISA-N 1 0 210.301 1.259 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccnc(F)c1 ZINC001226790464 975086281 /nfs/dbraw/zinc/08/62/81/975086281.db2.gz RTUXMGAPNUDGBS-VIFPVBQESA-N 1 0 213.276 1.694 20 5 BDBDRO Cc1cnc(O[C@@H](C)C[N+](C)(C)C)nc1 ZINC001227055720 975243815 /nfs/dbraw/zinc/24/38/15/975243815.db2.gz JVVCPXRFYCYHBG-JTQLQIEISA-N 1 0 210.301 1.259 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC001332713930 975269093 /nfs/dbraw/zinc/26/90/93/975269093.db2.gz MZBHXTRPVMATHK-CYBMUJFWSA-N 1 0 234.299 1.874 20 5 BDBDRO Cc1occc(=O)c1O[C@H](C)C[N+](C)(C)C ZINC001227241593 975323515 /nfs/dbraw/zinc/32/35/15/975323515.db2.gz DGRAQBZDJUXJEZ-SECBINFHSA-N 1 0 226.296 1.422 20 5 BDBDRO C[NH+]1CCC(Oc2cncc([N+](=O)[O-])c2)CC1 ZINC001227983468 975828660 /nfs/dbraw/zinc/82/86/60/975828660.db2.gz FAUQQDMSZBCVDT-UHFFFAOYSA-N 1 0 237.259 1.463 20 5 BDBDRO C[N@@H+]1CCC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227988143 975835496 /nfs/dbraw/zinc/83/54/96/975835496.db2.gz PFTKNMLCVROVSD-SNVBAGLBSA-N 1 0 237.259 1.463 20 5 BDBDRO CC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)nc1 ZINC001227997217 975844303 /nfs/dbraw/zinc/84/43/03/975844303.db2.gz WZHVYBOBPJYUIX-JTQLQIEISA-N 1 0 237.323 1.758 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2cccnc21 ZINC001228013381 975850287 /nfs/dbraw/zinc/85/02/87/975850287.db2.gz WVTPRASKNSJVNA-JTQLQIEISA-N 1 0 247.322 1.498 20 5 BDBDRO Cc1c(C)c(=O)[nH]nc1O[C@H](C)C[N+](C)(C)C ZINC001228153674 975962359 /nfs/dbraw/zinc/96/23/59/975962359.db2.gz GHWSOMKUMPWHBA-MRVPVSSYSA-O 1 0 240.327 1.273 20 5 BDBDRO CS[C@@H]1CC[C@@H]([N@H+](C)CC[N+](=O)[O-])C1 ZINC001333832388 976111705 /nfs/dbraw/zinc/11/17/05/976111705.db2.gz GIXFVQASLRNLMC-RKDXNWHRSA-N 1 0 218.322 1.479 20 5 BDBDRO COc1cc(C)c(O[C@@H](C)C[N+](C)(C)C)cn1 ZINC001228677000 976433391 /nfs/dbraw/zinc/43/33/91/976433391.db2.gz GKUJRHFYLLRNLW-NSHDSACASA-N 1 0 239.339 1.872 20 5 BDBDRO Cc1ncnc(C)c1O[C@@H](C)C[N+](C)(C)C ZINC001228852733 976533791 /nfs/dbraw/zinc/53/37/91/976533791.db2.gz FBFYVXVBXBGAJN-VIFPVBQESA-N 1 0 224.328 1.567 20 5 BDBDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC001335412962 977040819 /nfs/dbraw/zinc/04/08/19/977040819.db2.gz SJNQNFYCMCGJBF-PWSUYJOCSA-N 1 0 238.287 1.283 20 5 BDBDRO CC(C)([NH2+]CC[N+](=O)[O-])c1cccs1 ZINC001335782539 977278917 /nfs/dbraw/zinc/27/89/17/977278917.db2.gz XUICSBVJSQDAEY-UHFFFAOYSA-N 1 0 214.290 1.850 20 5 BDBDRO C[NH+](C)CCCNc1cc(N)ccc1[N+](=O)[O-] ZINC001336439086 977687763 /nfs/dbraw/zinc/68/77/63/977687763.db2.gz JCEHTLLGQQLALC-UHFFFAOYSA-N 1 0 238.291 1.541 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC001336813926 977978749 /nfs/dbraw/zinc/97/87/49/977978749.db2.gz NONPCCHLGWGUFX-WDEREUQCSA-N 1 0 228.292 1.200 20 5 BDBDRO COc1ccc(-n2c[nH+]cc2N)cc1[N+](=O)[O-] ZINC001176361347 978047161 /nfs/dbraw/zinc/04/71/61/978047161.db2.gz ZQQBYXVKNFOVIK-UHFFFAOYSA-N 1 0 234.215 1.371 20 5 BDBDRO Cc1ccnc(N[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000070496060 978849644 /nfs/dbraw/zinc/84/96/44/978849644.db2.gz UCJXOEAMOOHRKZ-VIFPVBQESA-N 1 0 236.275 1.414 20 5 BDBDRO CCCN(CC[N+](=O)[O-])CC[NH+](CC)CC ZINC001341094504 979228167 /nfs/dbraw/zinc/22/81/67/979228167.db2.gz SVYQREMJSYOADS-UHFFFAOYSA-N 1 0 231.340 1.317 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH3+])CC1 ZINC001341303871 979322726 /nfs/dbraw/zinc/32/27/26/979322726.db2.gz SDOODUMAFZURAF-UHFFFAOYSA-N 1 0 249.270 1.124 20 5 BDBDRO CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001346197457 980781393 /nfs/dbraw/zinc/78/13/93/980781393.db2.gz LXLOGEOAYWROBC-NXEZZACHSA-N 1 0 246.307 1.171 20 5 BDBDRO C[N@@H+]1CC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000156964458 980809472 /nfs/dbraw/zinc/80/94/72/980809472.db2.gz ILILPRAEOWBZKC-QMMMGPOBSA-N 1 0 222.248 1.106 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC001354585746 983323234 /nfs/dbraw/zinc/32/32/34/983323234.db2.gz YBXBHERMTXBTHS-LBPRGKRZSA-N 1 0 235.287 1.223 20 5 BDBDRO CC(C)[N@H+](CC[N+](=O)[O-])CC1CCC1 ZINC001354711508 983346918 /nfs/dbraw/zinc/34/69/18/983346918.db2.gz DEOKTLDUBDRALC-UHFFFAOYSA-N 1 0 200.282 1.774 20 5 BDBDRO C[C@@H](COc1ccccc1F)[NH2+]CC[N+](=O)[O-] ZINC001356101237 983577068 /nfs/dbraw/zinc/57/70/68/983577068.db2.gz SNGWFZIDKBHFGZ-VIFPVBQESA-N 1 0 242.250 1.459 20 5 BDBDRO Cc1cc(N(C)CCC[NH3+])c([N+](=O)[O-])s1 ZINC001579617996 986131873 /nfs/dbraw/zinc/13/18/73/986131873.db2.gz CRBNRPLGSPLXIY-UHFFFAOYSA-N 1 0 229.305 1.750 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC23C[NH2+]C3)c1 ZINC001579734533 986195468 /nfs/dbraw/zinc/19/54/68/986195468.db2.gz UVVMCDYYWBKDCM-UHFFFAOYSA-N 1 0 233.271 1.455 20 5 BDBDRO CC[C@H](N)C[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246972685 988800028 /nfs/dbraw/zinc/80/00/28/988800028.db2.gz DUZDAPGGGPYKOA-DCAQKATOSA-N 1 0 229.324 1.101 20 5 BDBDRO CC[NH2+]CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326132718 989387258 /nfs/dbraw/zinc/38/72/58/989387258.db2.gz MEHNCTKZSVHSRZ-UHFFFAOYSA-N 1 0 249.270 1.047 20 5 BDBDRO CS[C@@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001120608906 989784455 /nfs/dbraw/zinc/78/44/55/989784455.db2.gz XHQCJCRJWOPCST-RKDXNWHRSA-N 1 0 218.322 1.527 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001122488940 990397657 /nfs/dbraw/zinc/39/76/57/990397657.db2.gz GHZKFONMZZRQEP-KYZUINATSA-N 1 0 249.270 1.123 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCc1ccsc1 ZINC001262564627 992916569 /nfs/dbraw/zinc/91/65/69/992916569.db2.gz NYMOOEUXHICNDT-UHFFFAOYSA-N 1 0 214.290 1.547 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC001262571021 992928867 /nfs/dbraw/zinc/92/88/67/992928867.db2.gz KPRIDSRHKTXNIT-QWRGUYRKSA-N 1 0 228.292 1.058 20 5 BDBDRO Cc1cc(N2CC([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000270845201 178112558 /nfs/dbraw/zinc/11/25/58/178112558.db2.gz IUDYBKWOCYZXES-UHFFFAOYSA-N 1 0 236.275 1.048 20 5 BDBDRO Cc1cc(N2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000050244048 178118882 /nfs/dbraw/zinc/11/88/82/178118882.db2.gz IWVGOFMSSZXOCD-VIFPVBQESA-N 1 0 221.260 1.441 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1O[C@H]1CC[NH2+]C1 ZINC000052813498 178275306 /nfs/dbraw/zinc/27/53/06/178275306.db2.gz FCVHTUHJCMWREW-VIFPVBQESA-N 1 0 223.232 1.039 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[NH2+]C1 ZINC000052813061 178275309 /nfs/dbraw/zinc/27/53/09/178275309.db2.gz HVTSDXAOFDCSEJ-MRVPVSSYSA-N 1 0 222.248 1.072 20 5 BDBDRO C[NH+](C)C1CN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000273281055 398281785 /nfs/dbraw/zinc/28/17/85/398281785.db2.gz JBIQLKHWIKTUSJ-UHFFFAOYSA-N 1 0 239.250 1.484 20 5 BDBDRO Cc1ccc(C[N@@H+](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000130830407 398283034 /nfs/dbraw/zinc/28/30/34/398283034.db2.gz IFXHZLBLIOEGBD-JTQLQIEISA-N 1 0 238.287 1.716 20 5 BDBDRO CC[C@@H]([NH3+])c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000229925852 342855764 /nfs/dbraw/zinc/85/57/64/342855764.db2.gz ZFGUUFOJIVWLEU-SNVBAGLBSA-N 1 0 247.258 1.585 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(O)CCC2)c1 ZINC000134515199 342862233 /nfs/dbraw/zinc/86/22/33/342862233.db2.gz NSOLHLQRWYBFHG-UHFFFAOYSA-N 1 0 236.271 1.599 20 5 BDBDRO C[N@@H+]1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609493300 342880281 /nfs/dbraw/zinc/88/02/81/342880281.db2.gz FPEKPLTVXWHVIF-VIFPVBQESA-N 1 0 249.270 1.485 20 5 BDBDRO C[NH2+]CCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000020525367 398322764 /nfs/dbraw/zinc/32/27/64/398322764.db2.gz QRVREZPHWRPDMH-UHFFFAOYSA-N 1 0 240.259 1.592 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[NH2+]C2)cc1 ZINC000087655223 136282146 /nfs/dbraw/zinc/28/21/46/136282146.db2.gz MITHOBSEROKDKU-SECBINFHSA-N 1 0 221.260 1.616 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH3+] ZINC000035222597 343290598 /nfs/dbraw/zinc/29/05/98/343290598.db2.gz TTWZQOZWAHSSGL-UHFFFAOYSA-N 1 0 223.232 1.191 20 5 BDBDRO C[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000048347148 343578908 /nfs/dbraw/zinc/57/89/08/343578908.db2.gz JGTZFNHRHJAEMA-UHFFFAOYSA-N 1 0 224.260 1.061 20 5 BDBDRO Cc1ccc(C[NH2+]CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000078780284 178607978 /nfs/dbraw/zinc/60/79/78/178607978.db2.gz UXWPZTIQSRZPPH-SNVBAGLBSA-N 1 0 238.287 1.764 20 5 BDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000381350409 344496275 /nfs/dbraw/zinc/49/62/75/344496275.db2.gz HVEWGGJGCXXTPB-SFYZADRCSA-N 1 0 237.259 1.060 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000381531705 344518153 /nfs/dbraw/zinc/51/81/53/344518153.db2.gz AUPSWVPSQALZRW-WDSKDSINSA-N 1 0 243.288 1.122 20 5 BDBDRO CC[C@@H]([NH3+])CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000231480167 345752576 /nfs/dbraw/zinc/75/25/76/345752576.db2.gz GFCKWHYLPHSWIC-MWLCHTKSSA-N 1 0 237.303 1.983 20 5 BDBDRO C[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000401123370 346237047 /nfs/dbraw/zinc/23/70/47/346237047.db2.gz KKTWOWAZGDWTMM-ZETCQYMHSA-N 1 0 242.254 1.491 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH3+])C1 ZINC000158931667 346277729 /nfs/dbraw/zinc/27/77/29/346277729.db2.gz XWWPDINNOAMOJX-SNVBAGLBSA-N 1 0 235.287 1.831 20 5 BDBDRO Cc1cccc(N2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000235928329 179124274 /nfs/dbraw/zinc/12/42/74/179124274.db2.gz YIKUGNNLMVZGJW-SNVBAGLBSA-N 1 0 235.287 1.688 20 5 BDBDRO C[C@H]1C[NH2+]C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000401650340 347483582 /nfs/dbraw/zinc/48/35/82/347483582.db2.gz PEEXQRJVKRDTBW-ZYHUDNBSSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000594725207 348108584 /nfs/dbraw/zinc/10/85/84/348108584.db2.gz VVSIVIFIMDDGQF-LDYMZIIASA-N 1 0 249.270 1.134 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C\CO)cc1 ZINC000594974939 348162637 /nfs/dbraw/zinc/16/26/37/348162637.db2.gz OHOFDSPRUBKYCI-UPHRSURJSA-N 1 0 222.244 1.233 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C/C=C\CO ZINC000594975808 348163394 /nfs/dbraw/zinc/16/33/94/348163394.db2.gz UYHCBLYKRQCVEA-ARJAWSKDSA-N 1 0 222.244 1.233 20 5 BDBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594993511 348167900 /nfs/dbraw/zinc/16/79/00/348167900.db2.gz AVZOQXGVSZFYHX-NEPJUHHUSA-N 1 0 236.271 1.862 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](O)C2)cs1 ZINC000595001321 348169516 /nfs/dbraw/zinc/16/95/16/348169516.db2.gz UVADGTALRRXBIG-ZKCHVHJHSA-N 1 0 228.273 1.269 20 5 BDBDRO C[NH2+]C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000596106335 348440928 /nfs/dbraw/zinc/44/09/28/348440928.db2.gz OLBVCPMIRDTNBV-MRVPVSSYSA-N 1 0 241.266 1.431 20 5 BDBDRO C[C@@H](C[NH+](C)C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596244493 348485778 /nfs/dbraw/zinc/48/57/78/348485778.db2.gz QIWAKHSUNHFSKU-ZETCQYMHSA-N 1 0 240.263 1.057 20 5 BDBDRO C[NH2+]C[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000596653953 348607598 /nfs/dbraw/zinc/60/75/98/348607598.db2.gz MPXCCCDIIWSURM-VHSXEESVSA-N 1 0 237.303 1.853 20 5 BDBDRO C[C@H](O)C1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000597235223 348701410 /nfs/dbraw/zinc/70/14/10/348701410.db2.gz VDTZEQWOUQYFTH-ZETCQYMHSA-N 1 0 242.300 1.659 20 5 BDBDRO O=[N+]([O-])c1cncc(Cl)c1NC1C[NH2+]C1 ZINC000308895905 349055772 /nfs/dbraw/zinc/05/57/72/349055772.db2.gz ZGOSKBABVWKVOP-UHFFFAOYSA-N 1 0 228.639 1.027 20 5 BDBDRO C[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CO1 ZINC000402206863 350044331 /nfs/dbraw/zinc/04/43/31/350044331.db2.gz IBMDPUDDEMBKHC-VXNVDRBHSA-N 1 0 242.300 1.923 20 5 BDBDRO Cc1nc(NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000123631493 180017536 /nfs/dbraw/zinc/01/75/36/180017536.db2.gz GMXNKVHDOOXLCY-UHFFFAOYSA-N 1 0 224.264 1.449 20 5 BDBDRO Cc1nc(NCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000161493474 180018276 /nfs/dbraw/zinc/01/82/76/180018276.db2.gz TXOFHVYEOSYXNW-UHFFFAOYSA-N 1 0 238.291 1.662 20 5 BDBDRO Cc1nn(CC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000331334242 180388583 /nfs/dbraw/zinc/38/85/83/180388583.db2.gz PSZNSYKOZPAUBU-JTQLQIEISA-N 1 0 238.291 1.584 20 5 BDBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000382408816 350600259 /nfs/dbraw/zinc/60/02/59/350600259.db2.gz CMCFCWJHQHEQJB-DTWKUNHWSA-N 1 0 236.275 1.672 20 5 BDBDRO O=[N+]([O-])c1ncccc1NCC[NH+]1CCC1 ZINC000309538589 350709890 /nfs/dbraw/zinc/70/98/90/350709890.db2.gz XRPWADRLECUAEK-UHFFFAOYSA-N 1 0 222.248 1.107 20 5 BDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CSC1 ZINC000309513007 350693772 /nfs/dbraw/zinc/69/37/72/350693772.db2.gz QGAFICPYMYELKU-UHFFFAOYSA-N 1 0 238.312 1.842 20 5 BDBDRO C[C@@H]1C[N@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000344426073 351126156 /nfs/dbraw/zinc/12/61/56/351126156.db2.gz IUZSKBOYSYGCJD-SNVBAGLBSA-N 1 0 235.287 1.735 20 5 BDBDRO Cc1ccc(C[NH2+]C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000034995493 351376901 /nfs/dbraw/zinc/37/69/01/351376901.db2.gz MJKTUHIFDPUGGZ-SECBINFHSA-N 1 0 224.260 1.374 20 5 BDBDRO CC[NH2+][C@H](C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000414959682 352381916 /nfs/dbraw/zinc/38/19/16/352381916.db2.gz QCWXPGNEUZNOJN-SNVBAGLBSA-N 1 0 237.303 1.682 20 5 BDBDRO C[NH+](C)CCNc1ncc([N+](=O)[O-])s1 ZINC000189680231 353311374 /nfs/dbraw/zinc/31/13/74/353311374.db2.gz AHYYEDXPDFXWBC-UHFFFAOYSA-N 1 0 216.266 1.025 20 5 BDBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297414 356210224 /nfs/dbraw/zinc/21/02/24/356210224.db2.gz BUVYXBLZPFTAFR-SECBINFHSA-N 1 0 236.275 1.353 20 5 BDBDRO Cc1c(NC(=O)[C@H]2CC[NH2+]2)cccc1[N+](=O)[O-] ZINC000384796410 356750787 /nfs/dbraw/zinc/75/07/87/356750787.db2.gz YTSGRUINJCAXOP-SECBINFHSA-N 1 0 235.243 1.204 20 5 BDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H](C)[NH2+]1 ZINC000053711619 357157264 /nfs/dbraw/zinc/15/72/64/357157264.db2.gz KMJXBVQBXSADMO-DTORHVGOSA-N 1 0 236.275 1.176 20 5 BDBDRO CC[NH2+][C@H](C)CNCc1csc([N+](=O)[O-])c1 ZINC000414969992 357200022 /nfs/dbraw/zinc/20/00/22/357200022.db2.gz ZSCMLBCVJPABPV-MRVPVSSYSA-N 1 0 243.332 1.744 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000050015794 358710459 /nfs/dbraw/zinc/71/04/59/358710459.db2.gz KIJRJZWBTILLGU-ZYHUDNBSSA-N 1 0 236.271 1.598 20 5 BDBDRO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000088060089 359935229 /nfs/dbraw/zinc/93/52/29/359935229.db2.gz IUIVSLQJIIDKJJ-NSHDSACASA-N 1 0 249.314 1.431 20 5 BDBDRO C[NH+](C)CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000436194650 201314037 /nfs/dbraw/zinc/31/40/37/201314037.db2.gz PUXDZSAFKFDBOU-UHFFFAOYSA-N 1 0 224.264 1.230 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]CCCO)cs1 ZINC000037472333 364053823 /nfs/dbraw/zinc/05/38/23/364053823.db2.gz VWQAYIVBNQKLNM-UHFFFAOYSA-N 1 0 216.262 1.128 20 5 BDBDRO Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000037668348 364457170 /nfs/dbraw/zinc/45/71/70/364457170.db2.gz UOGKIJFQPMNCMP-UHFFFAOYSA-N 1 0 246.270 1.618 20 5 BDBDRO CCO[C@H]1C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000581586977 367614302 /nfs/dbraw/zinc/61/43/02/367614302.db2.gz FPBCHJLUDBXLKE-RYUDHWBXSA-N 1 0 236.271 1.862 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000581749927 367809339 /nfs/dbraw/zinc/80/93/39/367809339.db2.gz LYVPWDUVRNOERF-NSHDSACASA-N 1 0 248.286 1.274 20 5 BDBDRO [NH3+][C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000236336853 181651939 /nfs/dbraw/zinc/65/19/39/181651939.db2.gz IXKFPNKBSCQOCK-ZETCQYMHSA-N 1 0 241.678 1.786 20 5 BDBDRO O=[N+]([O-])c1cccc(F)c1N[C@H]1CCC[NH2+]C1 ZINC000156398262 371394687 /nfs/dbraw/zinc/39/46/87/371394687.db2.gz CDPHNRPPVPMIJD-QMMMGPOBSA-N 1 0 239.250 1.898 20 5 BDBDRO Cc1ccc(C[NH2+][C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000131332280 371589835 /nfs/dbraw/zinc/58/98/35/371589835.db2.gz OBLZFAFKMIDAMB-NSHDSACASA-N 1 0 236.271 1.782 20 5 BDBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])cn1 ZINC000216208003 371717394 /nfs/dbraw/zinc/71/73/94/371717394.db2.gz VMZUUCDBQALTOF-RKDXNWHRSA-N 1 0 236.275 1.163 20 5 BDBDRO CCN(C/C=C\c1ccccc1[N+](=O)[O-])CC[NH3+] ZINC000600775473 371700441 /nfs/dbraw/zinc/70/04/41/371700441.db2.gz OAJRITXJKLYOCR-ALCCZGGFSA-N 1 0 249.314 1.889 20 5 BDBDRO Cc1c(CN2C[C@@H]3C[C@H]2C[NH2+]3)cccc1[N+](=O)[O-] ZINC000601327690 371747391 /nfs/dbraw/zinc/74/73/91/371747391.db2.gz VPDWTOSDWBITEP-RYUDHWBXSA-N 1 0 247.298 1.449 20 5 BDBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000601327390 371748013 /nfs/dbraw/zinc/74/80/13/371748013.db2.gz UXMUHUVXZHHQKM-ZYHUDNBSSA-N 1 0 249.314 1.621 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327038 371748109 /nfs/dbraw/zinc/74/81/09/371748109.db2.gz KVVWZAYJZIBAFS-DCAQKATOSA-N 1 0 247.298 1.702 20 5 BDBDRO Cn1cc(C[N@H+](C)CC2CC2)c([N+](=O)[O-])n1 ZINC000602456509 371806424 /nfs/dbraw/zinc/80/64/24/371806424.db2.gz YANGNZOSHGMHBP-UHFFFAOYSA-N 1 0 224.264 1.170 20 5 BDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000602569560 371820976 /nfs/dbraw/zinc/82/09/76/371820976.db2.gz ALAUXCBOYARWEO-WCBMZHEXSA-N 1 0 249.270 1.075 20 5 BDBDRO Nc1ccc(C2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000141826778 373047958 /nfs/dbraw/zinc/04/79/58/373047958.db2.gz JKQJQFRVCUBACX-UHFFFAOYSA-N 1 0 219.244 1.554 20 5 BDBDRO [NH3+][C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000041029953 374054337 /nfs/dbraw/zinc/05/43/37/374054337.db2.gz HTKZDQHZSKXYEE-GFCCVEGCSA-N 1 0 249.314 1.560 20 5 BDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000041028136 374057564 /nfs/dbraw/zinc/05/75/64/374057564.db2.gz ORSMSMXVHZIEOH-SECBINFHSA-N 1 0 249.270 1.158 20 5 BDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000040459106 182371971 /nfs/dbraw/zinc/37/19/71/182371971.db2.gz FISIKXWCKYCPEB-JTQLQIEISA-N 1 0 235.243 1.285 20 5 BDBDRO CCC[NH2+]CCNc1ccc([N+](=O)[O-])nc1 ZINC000054267450 169260409 /nfs/dbraw/zinc/26/04/09/169260409.db2.gz RJFXSYWZBQNWAB-UHFFFAOYSA-N 1 0 224.264 1.401 20 5 BDBDRO [NH3+][C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050244028 383988668 /nfs/dbraw/zinc/98/86/68/383988668.db2.gz IYBBXGYGYJQSMU-QMMMGPOBSA-N 1 0 241.678 1.786 20 5 BDBDRO CC(C)C1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000339502337 383990035 /nfs/dbraw/zinc/99/00/35/383990035.db2.gz ABNIHAZNOCLOQE-UHFFFAOYSA-N 1 0 238.291 1.607 20 5 BDBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000134983277 383963402 /nfs/dbraw/zinc/96/34/02/383963402.db2.gz RWCQPUZGJOLBTP-ZJUUUORDSA-N 1 0 238.287 1.701 20 5 BDBDRO CN(CC[NH3+])c1ncc([N+](=O)[O-])cc1Cl ZINC000234283567 384041678 /nfs/dbraw/zinc/04/16/78/384041678.db2.gz MIBAGQDQFGFKOT-UHFFFAOYSA-N 1 0 230.655 1.038 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@H]2O)cs1 ZINC000393920802 384282764 /nfs/dbraw/zinc/28/27/64/384282764.db2.gz SEUGZINCTKAZNH-HTQZYQBOSA-N 1 0 228.273 1.269 20 5 BDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCCO ZINC000082829127 384577036 /nfs/dbraw/zinc/57/70/36/384577036.db2.gz GDVGMINYZWIYFQ-UHFFFAOYSA-N 1 0 244.678 1.720 20 5 BDBDRO C[C@@H](CNc1ccncc1[N+](=O)[O-])C[NH+](C)C ZINC000310108157 385084398 /nfs/dbraw/zinc/08/43/98/385084398.db2.gz DNOXJOVRSPRCTL-VIFPVBQESA-N 1 0 238.291 1.599 20 5 BDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCCCCC2)n1 ZINC000176188651 385034091 /nfs/dbraw/zinc/03/40/91/385034091.db2.gz IBIWYYQASKKYQG-UHFFFAOYSA-N 1 0 238.291 1.667 20 5 BDBDRO C[C@H](CNc1ccncc1[N+](=O)[O-])C[NH+](C)C ZINC000310108156 385086709 /nfs/dbraw/zinc/08/67/09/385086709.db2.gz DNOXJOVRSPRCTL-SECBINFHSA-N 1 0 238.291 1.599 20 5 BDBDRO [NH3+][C@@H](CNc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000129298356 386052257 /nfs/dbraw/zinc/05/22/57/386052257.db2.gz VKJAULOATMYJTN-VIFPVBQESA-N 1 0 239.250 1.883 20 5 BDBDRO C[C@H](CO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000086622713 386087889 /nfs/dbraw/zinc/08/78/89/386087889.db2.gz YDLDIBHORHVSKL-UWVGGRQHSA-N 1 0 238.287 1.874 20 5 BDBDRO CC[C@@H](CO)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000294078508 386352152 /nfs/dbraw/zinc/35/21/52/386352152.db2.gz LHYMOLJTGUALEM-NSHDSACASA-N 1 0 238.287 1.798 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@@H]2O)cs1 ZINC000164221219 386650569 /nfs/dbraw/zinc/65/05/69/386650569.db2.gz PDZFFCQMULIQHE-IUCAKERBSA-N 1 0 242.300 1.659 20 5 BDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000237459289 386676400 /nfs/dbraw/zinc/67/64/00/386676400.db2.gz LIZSLIUQCUORSH-QMMMGPOBSA-N 1 0 237.259 1.014 20 5 BDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCO ZINC000344878882 386790302 /nfs/dbraw/zinc/79/03/02/386790302.db2.gz VKLDVOKJZPEWJL-JXMROGBWSA-N 1 0 236.271 1.580 20 5 BDBDRO CC(C)[C@H]([NH3+])CNCc1cccc([N+](=O)[O-])c1 ZINC000414796220 387069875 /nfs/dbraw/zinc/06/98/75/387069875.db2.gz NXMRJCJHEUORRL-GFCCVEGCSA-N 1 0 237.303 1.668 20 5 BDBDRO CC[NH2+]CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414830285 387271829 /nfs/dbraw/zinc/27/18/29/387271829.db2.gz NVERSUDVZGNKJE-UHFFFAOYSA-N 1 0 237.303 1.602 20 5 BDBDRO C[C@@H](O)C(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000160614760 387359697 /nfs/dbraw/zinc/35/96/97/387359697.db2.gz QOUZOPXIHFETNP-SSDOTTSWSA-N 1 0 244.316 1.905 20 5 BDBDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000414921285 387604775 /nfs/dbraw/zinc/60/47/75/387604775.db2.gz DIZCLZSXBBNRTQ-GWCFXTLKSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000415012629 387663802 /nfs/dbraw/zinc/66/38/02/387663802.db2.gz SYCHEYLUHMZJGT-OJTYSEKASA-N 1 0 249.314 1.933 20 5 BDBDRO Cc1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000415030815 387666885 /nfs/dbraw/zinc/66/68/85/387666885.db2.gz FJNCWKKESXUZHQ-PJXYFTJBSA-N 1 0 247.298 1.211 20 5 BDBDRO CC[C@H]([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000036871436 387984251 /nfs/dbraw/zinc/98/42/51/387984251.db2.gz SMZACYIZYHROPJ-VIFPVBQESA-N 1 0 237.259 1.579 20 5 BDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000357917493 388396996 /nfs/dbraw/zinc/39/69/96/388396996.db2.gz RVQQNTYVBBFNCN-UHFFFAOYSA-N 1 0 238.291 1.666 20 5 BDBDRO C[C@H](C[C@H](C)[NH3+])NCc1ccccc1[N+](=O)[O-] ZINC000422930016 388686543 /nfs/dbraw/zinc/68/65/43/388686543.db2.gz ASIXYZDTEZOJLF-VHSXEESVSA-N 1 0 237.303 1.810 20 5 BDBDRO CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447513414 388736605 /nfs/dbraw/zinc/73/66/05/388736605.db2.gz VZBVYJDMOMLOJB-NXEZZACHSA-N 1 0 238.291 1.885 20 5 BDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000423217609 388688626 /nfs/dbraw/zinc/68/86/26/388688626.db2.gz SDQTUCXUHUUWOF-PWSUYJOCSA-N 1 0 249.314 1.477 20 5 BDBDRO C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424105795 388693689 /nfs/dbraw/zinc/69/36/89/388693689.db2.gz WOKYOSADCTXCGA-ONOSFVFSSA-N 1 0 249.270 1.119 20 5 BDBDRO CC[C@@H]([NH3+])CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000082578610 388728257 /nfs/dbraw/zinc/72/82/57/388728257.db2.gz VQPRYWXENUAMMV-SSDOTTSWSA-N 1 0 243.288 1.123 20 5 BDBDRO CC[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000125697246 388803768 /nfs/dbraw/zinc/80/37/68/388803768.db2.gz XHRAIKCTXPSZFN-JTQLQIEISA-N 1 0 238.291 1.523 20 5 BDBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000125730416 388805447 /nfs/dbraw/zinc/80/54/47/388805447.db2.gz NJTQPKVRSSLTTK-YUMQZZPRSA-N 1 0 244.316 1.763 20 5 BDBDRO C[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000055421230 388837101 /nfs/dbraw/zinc/83/71/01/388837101.db2.gz YDKVYMHGTYVMSD-ZETCQYMHSA-N 1 0 223.232 1.141 20 5 BDBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000131173854 177629438 /nfs/dbraw/zinc/62/94/38/177629438.db2.gz IRCWUEQIKNSBLF-PSASIEDQSA-N 1 0 238.287 1.935 20 5 BDBDRO Cc1cc(N2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000052783387 132300363 /nfs/dbraw/zinc/30/03/63/132300363.db2.gz ONKNTTRKLUBFGK-SNVBAGLBSA-N 1 0 235.287 1.701 20 5 BDBDRO C[C@H]([NH3+])CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261529003 135155246 /nfs/dbraw/zinc/15/52/46/135155246.db2.gz ZFJVXVQWGJXIPO-ZETCQYMHSA-N 1 0 223.232 1.271 20 5 BDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)[C@H](C)C[NH2+]1 ZINC000261535236 135169059 /nfs/dbraw/zinc/16/90/59/135169059.db2.gz XBOCZKLNVBYKRR-RNFRBKRXSA-N 1 0 242.304 1.238 20 5 BDBDRO Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000261544386 135185233 /nfs/dbraw/zinc/18/52/33/135185233.db2.gz XONBTKGWOXRNJP-RKDXNWHRSA-N 1 0 236.275 1.082 20 5 BDBDRO Cc1ccnc(N2CC[C@@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC000261554174 135193402 /nfs/dbraw/zinc/19/34/02/135193402.db2.gz OPIQDTZXJWKORC-DTWKUNHWSA-N 1 0 236.275 1.224 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261554402 135194072 /nfs/dbraw/zinc/19/40/72/135194072.db2.gz AXDMLNPKUOUWRD-GHMZBOCLSA-N 1 0 247.298 1.783 20 5 BDBDRO C[C@@]1(C[NH3+])CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000261556459 135196877 /nfs/dbraw/zinc/19/68/77/135196877.db2.gz QSYGEBXZIJFLLG-NSHDSACASA-N 1 0 236.275 1.165 20 5 BDBDRO C[C@H]1[C@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000261561134 135202313 /nfs/dbraw/zinc/20/23/13/135202313.db2.gz VEQNYNPEZZRUTP-JOYOIKCWSA-N 1 0 235.287 1.516 20 5 BDBDRO C[C@H]([NH3+])CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000261577365 135218589 /nfs/dbraw/zinc/21/85/89/135218589.db2.gz LCJTUZQWDVNWDM-VIFPVBQESA-N 1 0 223.276 1.374 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000261577850 135219019 /nfs/dbraw/zinc/21/90/19/135219019.db2.gz LLPACICQNAPHOL-IUCAKERBSA-N 1 0 223.276 1.420 20 5 BDBDRO C[C@@H]([NH3+])[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000261577848 135219231 /nfs/dbraw/zinc/21/92/31/135219231.db2.gz LLPACICQNAPHOL-BDAKNGLRSA-N 1 0 223.276 1.420 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261594547 135235238 /nfs/dbraw/zinc/23/52/38/135235238.db2.gz ZVRZIDGZKXPPNZ-CYBMUJFWSA-N 1 0 247.298 1.785 20 5 BDBDRO C[C@@H]([NH3+])[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000261595124 135235286 /nfs/dbraw/zinc/23/52/86/135235286.db2.gz XWNHZWPPFOQHCZ-RNFRBKRXSA-N 1 0 227.239 1.882 20 5 BDBDRO C[NH2+]CCN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000261599660 135237311 /nfs/dbraw/zinc/23/73/11/135237311.db2.gz ZWHDORVQFOBQDD-UHFFFAOYSA-N 1 0 227.239 1.390 20 5 BDBDRO C[C@H](NCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000261546758 135239484 /nfs/dbraw/zinc/23/94/84/135239484.db2.gz HFWQUYJGJMXSHP-VIFPVBQESA-N 1 0 237.303 1.983 20 5 BDBDRO Cc1nc(N2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000262082844 135277918 /nfs/dbraw/zinc/27/79/18/135277918.db2.gz XSRPZUQVVJQWGG-MRVPVSSYSA-N 1 0 236.275 1.096 20 5 BDBDRO CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176190173 168182245 /nfs/dbraw/zinc/18/22/45/168182245.db2.gz ZWFPGTSLMSYVLE-UHFFFAOYSA-N 1 0 238.291 1.523 20 5 BDBDRO CCC(C)(C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267051720 168287267 /nfs/dbraw/zinc/28/72/67/168287267.db2.gz GIJGINMTSRBHOY-UHFFFAOYSA-N 1 0 240.307 1.912 20 5 BDBDRO C[NH+](C)C(C)(C)CNc1ncc([N+](=O)[O-])cn1 ZINC000043411759 172397752 /nfs/dbraw/zinc/39/77/52/172397752.db2.gz HPGILBAZQVYUSD-UHFFFAOYSA-N 1 0 239.279 1.137 20 5 BDBDRO C[NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000297418903 173320404 /nfs/dbraw/zinc/32/04/04/173320404.db2.gz GZYBJOUMIZPHJI-UHFFFAOYSA-N 1 0 239.279 1.103 20 5 BDBDRO C[NH2+]CCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000124748809 173345811 /nfs/dbraw/zinc/34/58/11/173345811.db2.gz QSJYAAXRCVYPQK-UHFFFAOYSA-N 1 0 237.303 1.636 20 5 BDBDRO C[NH2+]CCCOc1cccc([N+](=O)[O-])c1 ZINC000019776861 173349644 /nfs/dbraw/zinc/34/96/44/173349644.db2.gz PDKKXSZPBBGZPI-UHFFFAOYSA-N 1 0 210.233 1.583 20 5 BDBDRO C[NH2+]CCCOc1ccccc1[N+](=O)[O-] ZINC000019776860 173349653 /nfs/dbraw/zinc/34/96/53/173349653.db2.gz JYURQKKHTHRNGF-UHFFFAOYSA-N 1 0 210.233 1.583 20 5 BDBDRO C[NH2+]CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149413809 173356742 /nfs/dbraw/zinc/35/67/42/173356742.db2.gz JMMLYXNFXGAGPM-UHFFFAOYSA-N 1 0 230.655 1.275 20 5 BDBDRO C[NH2+]C[C@@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000133295147 173369664 /nfs/dbraw/zinc/36/96/64/173369664.db2.gz QSUQLOGOIXGYRN-JTQLQIEISA-N 1 0 235.287 1.783 20 5 BDBDRO C[NH2+]C[C@H](C)CNc1ncc([N+](=O)[O-])cc1C ZINC000129542967 173375181 /nfs/dbraw/zinc/37/51/81/173375181.db2.gz OEYUXCLQUWRFHV-QMMMGPOBSA-N 1 0 238.291 1.566 20 5 BDBDRO C[NH2+]C[C@H](C)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000129526509 173375693 /nfs/dbraw/zinc/37/56/93/173375693.db2.gz DQGJJIXQNCBQFB-VIFPVBQESA-N 1 0 238.291 1.566 20 5 BDBDRO C[NH2+][C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000147975095 173463804 /nfs/dbraw/zinc/46/38/04/173463804.db2.gz BDUOQMCPAXGYJZ-JTQLQIEISA-N 1 0 249.270 1.029 20 5 BDBDRO C[C@@H]1CCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000282111897 176150929 /nfs/dbraw/zinc/15/09/29/176150929.db2.gz PZVRSCXTFGYPCO-NXEZZACHSA-N 1 0 238.291 1.570 20 5 BDBDRO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358014224 176276691 /nfs/dbraw/zinc/27/66/91/176276691.db2.gz KFIQJDUNZNBFRE-ZWNOBZJWSA-N 1 0 249.314 1.635 20 5 BDBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000229600909 176458729 /nfs/dbraw/zinc/45/87/29/176458729.db2.gz PKYQVRANEWEJAD-WPRPVWTQSA-N 1 0 236.275 1.542 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000038086741 177042464 /nfs/dbraw/zinc/04/24/64/177042464.db2.gz AURLONIVMOVYTO-SNVBAGLBSA-N 1 0 235.287 1.561 20 5 BDBDRO C[C@H]1CC[C@H](C)[NH+]1CCn1cc([N+](=O)[O-])cn1 ZINC000123177513 177199132 /nfs/dbraw/zinc/19/91/32/177199132.db2.gz RYMNXFNIYBGLKI-UWVGGRQHSA-N 1 0 238.291 1.664 20 5 BDBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070075121 177266548 /nfs/dbraw/zinc/26/65/48/177266548.db2.gz LZHOWRCRLSDLOY-PHIMTYICSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@H]1C[C@H](C[NH3+])CN1c1ncccc1[N+](=O)[O-] ZINC000216226292 177362656 /nfs/dbraw/zinc/36/26/56/177362656.db2.gz MTWNDNXACVXXLT-DTWKUNHWSA-N 1 0 236.275 1.163 20 5 BDBDRO C[NH2+]C[C@H](C)CNCc1csc([N+](=O)[O-])c1 ZINC000414842480 323151642 /nfs/dbraw/zinc/15/16/42/323151642.db2.gz OWYGKCYTCJJFRW-QMMMGPOBSA-N 1 0 243.332 1.601 20 5 BDBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000400550467 533924458 /nfs/dbraw/zinc/92/44/58/533924458.db2.gz XHXHWXMMNHXWHX-GXFFZTMASA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000495090285 533952739 /nfs/dbraw/zinc/95/27/39/533952739.db2.gz HSOOAMQQCLDYLZ-YWVKMMECSA-N 1 0 238.291 1.425 20 5 BDBDRO C[NH2+][C@@H](C)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000261590921 536344337 /nfs/dbraw/zinc/34/43/37/536344337.db2.gz UVNCMCXRMMSTRU-VIFPVBQESA-N 1 0 223.276 1.923 20 5 BDBDRO C[NH2+][C@H](C)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000261580666 536404947 /nfs/dbraw/zinc/40/49/47/536404947.db2.gz NBMDINJKWNPUHT-MRVPVSSYSA-N 1 0 224.264 1.318 20 5 BDBDRO C[NH2+][C@@H](C)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000261561197 536345139 /nfs/dbraw/zinc/34/51/39/536345139.db2.gz ALQMUMKWYKAWGD-LURJTMIESA-N 1 0 244.682 1.663 20 5 BDBDRO Cc1ccc(N(C)CC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000853824869 588765042 /nfs/dbraw/zinc/76/50/42/588765042.db2.gz SOQHUIUPCHBCBA-UHFFFAOYSA-N 1 0 249.314 1.901 20 5 BDBDRO C[C@@H](COC(=O)c1ccc2c[nH+]cn2c1)[N+](=O)[O-] ZINC000813104587 582580669 /nfs/dbraw/zinc/58/06/69/582580669.db2.gz FAKFLFRNYKURCZ-QMMMGPOBSA-N 1 0 249.226 1.156 20 5 BDBDRO C[N@@H+]1C[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000893940780 583255065 /nfs/dbraw/zinc/25/50/65/583255065.db2.gz QBFYRGOZOXSOBW-GXFFZTMASA-N 1 0 247.298 1.735 20 5 BDBDRO Cn1cc(C[NH2+][C@@H]2CCC2(C)C)c([N+](=O)[O-])n1 ZINC000877521646 583322510 /nfs/dbraw/zinc/32/25/10/583322510.db2.gz GBNGILONLGUSJP-SECBINFHSA-N 1 0 238.291 1.607 20 5 BDBDRO Cc1ccc(-c2cnn(C)c2C[NH3+])cc1[N+](=O)[O-] ZINC000899324808 584196802 /nfs/dbraw/zinc/19/68/02/584196802.db2.gz OQEBXSBTELPMQS-UHFFFAOYSA-N 1 0 246.270 1.762 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000899867671 584243703 /nfs/dbraw/zinc/24/37/03/584243703.db2.gz XEWQDSOLMWDYPK-JTQLQIEISA-N 1 0 244.678 1.240 20 5 BDBDRO Cc1ccccc1OCC[NH2+]CC[N+](=O)[O-] ZINC000899873315 584246001 /nfs/dbraw/zinc/24/60/01/584246001.db2.gz MMMVXKRBQQASJR-UHFFFAOYSA-N 1 0 224.260 1.240 20 5 BDBDRO CC1(C)C[NH2+]C[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000903822075 584804045 /nfs/dbraw/zinc/80/40/45/584804045.db2.gz VZSRJAKHQZEJKN-GFCCVEGCSA-N 1 0 249.314 1.682 20 5 BDBDRO CC1(C)C[NH2+]C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000903823384 584804418 /nfs/dbraw/zinc/80/44/18/584804418.db2.gz FYXVSZLPOBCELC-LBPRGKRZSA-N 1 0 249.314 1.682 20 5 BDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC2)cc1 ZINC000776582004 585701409 /nfs/dbraw/zinc/70/14/09/585701409.db2.gz LKQWIDMNQPICBL-LLVKDONJSA-N 1 0 222.244 1.334 20 5 BDBDRO C[NH2+]CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000841037269 587937802 /nfs/dbraw/zinc/93/78/02/587937802.db2.gz VMMREESBJILDFX-UHFFFAOYSA-N 1 0 243.694 1.557 20 5 BDBDRO Cc1c(-c2noc(CC[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843237470 588095209 /nfs/dbraw/zinc/09/52/09/588095209.db2.gz CGXOGQFAFMURPV-UHFFFAOYSA-N 1 0 248.242 1.454 20 5 BDBDRO C[C@H](CC(=O)O[C@@H](C)C[N+](=O)[O-])n1ccnc1 ZINC000845578636 588233953 /nfs/dbraw/zinc/23/39/53/588233953.db2.gz ZZDIRRCAXWRXRO-BDAKNGLRSA-N 1 0 241.247 1.043 20 5 BDBDRO C[C@H]([NH2+]CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872018625 589856811 /nfs/dbraw/zinc/85/68/11/589856811.db2.gz OCOQJDPABBUDKO-ZETCQYMHSA-N 1 0 228.223 1.377 20 5 BDBDRO CN(Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCSC1 ZINC000124962182 590106723 /nfs/dbraw/zinc/10/67/23/590106723.db2.gz JRUWKSFMZHXHQP-MRVPVSSYSA-N 1 0 242.304 1.186 20 5 BDBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000877983134 590465688 /nfs/dbraw/zinc/46/56/88/590465688.db2.gz HFYPMEKRDXWPDF-UHFFFAOYSA-N 1 0 240.307 1.830 20 5 BDBDRO O=[N+]([O-])c1cccc(CN2CC[C@H]2CO)c1 ZINC000934025221 631601115 /nfs/dbraw/zinc/60/11/15/631601115.db2.gz CGDLJPOCZCHUCO-NSHDSACASA-N 1 0 222.244 1.161 20 5 BDBDRO CC(C)([NH2+]CC[N+](=O)[O-])c1cccc(F)c1 ZINC000309523202 632468800 /nfs/dbraw/zinc/46/88/00/632468800.db2.gz CCLDHNQDLCTWOV-UHFFFAOYSA-N 1 0 226.251 1.927 20 5 BDBDRO C[C@@H]([NH3+])CN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000310301273 632716520 /nfs/dbraw/zinc/71/65/20/632716520.db2.gz QKIWOGZCCSDTGW-MRVPVSSYSA-N 1 0 241.266 1.513 20 5 BDBDRO C[C@H]([NH2+]CCF)c1ccc(N)c([N+](=O)[O-])c1 ZINC000309263355 632860296 /nfs/dbraw/zinc/86/02/96/632860296.db2.gz IRKYIJAUDHFULU-ZETCQYMHSA-N 1 0 227.239 1.797 20 5 BDBDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000899877184 637146930 /nfs/dbraw/zinc/14/69/30/637146930.db2.gz XCFBVYGJYQDKOA-NXEZZACHSA-N 1 0 200.282 1.679 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1ccsc1 ZINC000905037599 637555836 /nfs/dbraw/zinc/55/58/36/637555836.db2.gz ZWWSVEPPINNNPL-UHFFFAOYSA-N 1 0 200.263 1.157 20 5 BDBDRO CN(C)c1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905082709 637582418 /nfs/dbraw/zinc/58/24/18/637582418.db2.gz UAYOFFUDQIHCJY-UHFFFAOYSA-N 1 0 223.276 1.119 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1ccccc1F ZINC000905082537 637582778 /nfs/dbraw/zinc/58/27/78/637582778.db2.gz TWWFOFAJKDOULV-UHFFFAOYSA-N 1 0 240.278 1.970 20 5 BDBDRO CC[NH+](CC)[C@H](CNCC[N+](=O)[O-])CC(C)C ZINC000905112818 637618039 /nfs/dbraw/zinc/61/80/39/637618039.db2.gz XBGNANYSSHKFKW-LBPRGKRZSA-N 1 0 245.367 1.609 20 5 BDBDRO CC1(c2ccccc2)CC([NH2+]CC[N+](=O)[O-])C1 ZINC000905095059 637634646 /nfs/dbraw/zinc/63/46/46/637634646.db2.gz HLZGNZVOHMCPAV-UHFFFAOYSA-N 1 0 234.299 1.973 20 5 BDBDRO C[C@]1(c2ccccc2)C[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905135222 637644198 /nfs/dbraw/zinc/64/41/98/637644198.db2.gz JBICYVLJCJYRKX-VXGBXAGGSA-N 1 0 220.272 1.583 20 5 BDBDRO C[C@H]1C[C@H](CC[NH2+]CC[N+](=O)[O-])CCO1 ZINC000905207766 637698266 /nfs/dbraw/zinc/69/82/66/637698266.db2.gz INVATLIQZPRNNH-VHSXEESVSA-N 1 0 216.281 1.058 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCC[C@@H]1CCCCO1 ZINC000905214778 637699382 /nfs/dbraw/zinc/69/93/82/637699382.db2.gz WLJQSMBUAUSRFX-JTQLQIEISA-N 1 0 216.281 1.202 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000905245446 637705382 /nfs/dbraw/zinc/70/53/82/637705382.db2.gz DWKFPZCXHMQXGV-QMMMGPOBSA-N 1 0 222.235 1.678 20 5 BDBDRO CC(C)(C)C(C)(C)C[NH2+]CC[N+](=O)[O-] ZINC000905261493 637716402 /nfs/dbraw/zinc/71/64/02/637716402.db2.gz HOCXPCBLUXKEEX-UHFFFAOYSA-N 1 0 202.298 1.925 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCOCC1CCCC1 ZINC000905278987 637735287 /nfs/dbraw/zinc/73/52/87/637735287.db2.gz HXXWMNPPQNOTLZ-UHFFFAOYSA-N 1 0 216.281 1.060 20 5 BDBDRO CC[C@H](C[NH2+]CC[N+](=O)[O-])CC(F)(F)F ZINC000905286865 637739294 /nfs/dbraw/zinc/73/92/94/637739294.db2.gz SEEXYDCWAQBGDY-ZETCQYMHSA-N 1 0 228.214 1.831 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H](CO)CC1CCCCC1 ZINC000905345518 637767561 /nfs/dbraw/zinc/76/75/61/637767561.db2.gz NBCJGMNJYMDVSO-LLVKDONJSA-N 1 0 230.308 1.184 20 5 BDBDRO C[NH+](C)CCc1ccccc1NCC[N+](=O)[O-] ZINC000905333544 637780188 /nfs/dbraw/zinc/78/01/88/637780188.db2.gz HSFBJQPAUHNEFP-UHFFFAOYSA-N 1 0 237.303 1.479 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCC1SCCS1 ZINC000905381596 637783180 /nfs/dbraw/zinc/78/31/80/637783180.db2.gz OHEQDACPEOHRDK-UHFFFAOYSA-N 1 0 222.335 1.049 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000905383905 637785117 /nfs/dbraw/zinc/78/51/17/637785117.db2.gz CNOQXRDNVCLLBF-ZCFIWIBFSA-N 1 0 227.091 1.437 20 5 BDBDRO CC(C)(C)OC1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905402595 637797671 /nfs/dbraw/zinc/79/76/71/637797671.db2.gz ZRCPFLRMWACDGO-UHFFFAOYSA-N 1 0 244.335 1.979 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000905572878 637851163 /nfs/dbraw/zinc/85/11/63/637851163.db2.gz RDSQBPWXBGMNGQ-NTSWFWBYSA-N 1 0 212.171 1.051 20 5 BDBDRO Cc1nc2c(cccc2CC[NH2+]CC[N+](=O)[O-])o1 ZINC000905581421 637853101 /nfs/dbraw/zinc/85/31/01/637853101.db2.gz VVCXUZYQHWQQBO-UHFFFAOYSA-N 1 0 249.270 1.545 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000905657224 637872436 /nfs/dbraw/zinc/87/24/36/637872436.db2.gz SJEAESKQWUVXGA-CBLAIPOGSA-N 1 0 216.306 1.279 20 5 BDBDRO CO[C@H]1C[C@H]([N@H+](C)CC[N+](=O)[O-])C12CCC2 ZINC000930652826 639841802 /nfs/dbraw/zinc/84/18/02/639841802.db2.gz PJSNLSCBXYEDJE-UWVGGRQHSA-N 1 0 228.292 1.153 20 5 BDBDRO CN(c1ccccc1)[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000931058885 640045619 /nfs/dbraw/zinc/04/56/19/640045619.db2.gz FJKKSRLWBPBEBN-ZDUSSCGKSA-N 1 0 249.314 1.474 20 5 BDBDRO C[C@@H]1CN(CC[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000931161095 640081856 /nfs/dbraw/zinc/08/18/56/640081856.db2.gz SFMMXANXVWKLEN-OCAPTIKFSA-N 1 0 222.235 1.486 20 5 BDBDRO O=[N+]([O-])c1ccc(CN2CCn3ccnc32)cc1 ZINC000931525997 640257598 /nfs/dbraw/zinc/25/75/98/640257598.db2.gz JYNJSUATFDVVQI-UHFFFAOYSA-N 1 0 244.254 1.812 20 5 BDBDRO C[C@H](COCC1CCCCC1)[NH2+]CC[N+](=O)[O-] ZINC000932422204 640525297 /nfs/dbraw/zinc/52/52/97/640525297.db2.gz IBZNEMATSJQQFV-LLVKDONJSA-N 1 0 244.335 1.838 20 5 BDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000933486954 640721418 /nfs/dbraw/zinc/72/14/18/640721418.db2.gz FPHQAOSAPNKTEM-SECBINFHSA-N 1 0 236.271 1.549 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934697763 641249062 /nfs/dbraw/zinc/24/90/62/641249062.db2.gz JYTNAYNGLHMPCQ-NSHDSACASA-N 1 0 221.260 1.399 20 5 BDBDRO CN(CC[NH3+])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054419349 641613596 /nfs/dbraw/zinc/61/35/96/641613596.db2.gz QCZGKUJHZNVJFR-UHFFFAOYSA-N 1 0 243.694 1.639 20 5 BDBDRO C[NH+](C)CCSCc1cccnc1[N+](=O)[O-] ZINC000917193328 642027952 /nfs/dbraw/zinc/02/79/52/642027952.db2.gz FXOXAXIZWNCZHP-UHFFFAOYSA-N 1 0 241.316 1.785 20 5 BDBDRO O=[N+]([O-])c1ccc(F)cc1OCC1C[NH2+]C1 ZINC000304471244 643207914 /nfs/dbraw/zinc/20/79/14/643207914.db2.gz NKCMKBJCKIMJAV-UHFFFAOYSA-N 1 0 226.207 1.332 20 5 BDBDRO Cc1c(C[NH2+]CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000087018396 644469876 /nfs/dbraw/zinc/46/98/76/644469876.db2.gz APWDHEIPYRTJCC-UHFFFAOYSA-N 1 0 238.287 1.764 20 5 BDBDRO Cc1cnc(N(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692614 644602363 /nfs/dbraw/zinc/60/23/63/644602363.db2.gz XIJPYNLLEUQMCV-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO O=[N+]([O-])c1ccc(Cl)cc1OCC1C[NH2+]C1 ZINC000304568811 644918030 /nfs/dbraw/zinc/91/80/30/644918030.db2.gz ZQZZBZVZBKKVJV-UHFFFAOYSA-N 1 0 242.662 1.846 20 5 BDBDRO Cc1cnc(NCC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000097637352 644938325 /nfs/dbraw/zinc/93/83/25/644938325.db2.gz MRRNUHLTJRBURE-UHFFFAOYSA-N 1 0 224.264 1.447 20 5 BDBDRO [NH3+][C@@H](CNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000133921463 645869246 /nfs/dbraw/zinc/86/92/46/645869246.db2.gz LMTOBRVMAXWVOL-NSHDSACASA-N 1 0 221.260 1.744 20 5 BDBDRO Cc1cc([C@@H]2CCCN2CC[N+](=O)[O-])on1 ZINC000929289218 646059804 /nfs/dbraw/zinc/05/98/04/646059804.db2.gz MXFOGTGZEYURLN-VIFPVBQESA-N 1 0 225.248 1.397 20 5 BDBDRO CCNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000052926122 711645191 /nfs/dbraw/zinc/64/51/91/711645191.db2.gz WSABYZUROVNRON-UHFFFAOYSA-N 1 0 222.248 1.229 20 5 BDBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CC[N+](=O)[O-] ZINC000899872829 711803856 /nfs/dbraw/zinc/80/38/56/711803856.db2.gz FSROVRGPQIJMMA-GFCCVEGCSA-N 1 0 220.272 1.849 20 5 BDBDRO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000712593134 712435532 /nfs/dbraw/zinc/43/55/32/712435532.db2.gz CFSKFYLXHHRLKJ-LLVKDONJSA-N 1 0 221.260 1.711 20 5 BDBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000712596126 712436287 /nfs/dbraw/zinc/43/62/87/712436287.db2.gz SZCCMIKTDXBJHT-JTQLQIEISA-N 1 0 236.275 1.496 20 5 BDBDRO C[C@@H](NCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037712693 712744953 /nfs/dbraw/zinc/74/49/53/712744953.db2.gz ZBOITDFYGIUFAL-MRVPVSSYSA-N 1 0 209.249 1.204 20 5 BDBDRO C[C@@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000719598560 712813610 /nfs/dbraw/zinc/81/36/10/712813610.db2.gz IDKZRPJWQXLXEC-ZWNOBZJWSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OC(=O)c1ccccc1 ZINC000002032407 717093548 /nfs/dbraw/zinc/09/35/48/717093548.db2.gz PWKNQUFNEZUAJA-NSHDSACASA-N 1 0 222.308 1.938 20 5 BDBDRO [NH2+]=CNc1cc([N+](=O)[O-])c2nccn2c1 ZINC001167868037 961357982 /nfs/dbraw/zinc/35/79/82/961357982.db2.gz DSUOSUPKDUMKIV-UHFFFAOYSA-N 1 0 205.177 1.261 20 5 BDBDRO C[N+](C)(C)CCO[C@H]1CCn2ccnc21 ZINC001224771753 964935632 /nfs/dbraw/zinc/93/56/32/964935632.db2.gz RSPUCSKPRMFUKQ-JTQLQIEISA-N 1 0 210.301 1.051 20 5 BDBDRO CCOCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957991 969307791 /nfs/dbraw/zinc/30/77/91/969307791.db2.gz KNYLWSBHTDBLRH-UWVGGRQHSA-N 1 0 216.281 1.058 20 5 BDBDRO C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965337 969318087 /nfs/dbraw/zinc/31/80/87/969318087.db2.gz ZYQBAULCWVWCDB-CHWFTXMASA-N 1 0 228.292 1.199 20 5 BDBDRO CO[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169010001 969333095 /nfs/dbraw/zinc/33/30/95/969333095.db2.gz AFYRQGRUEBZDHH-HBNTYKKESA-N 1 0 228.292 1.153 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCOCC2)C1 ZINC001169007580 969333527 /nfs/dbraw/zinc/33/35/27/969333527.db2.gz OGHGFLLAXHYGSQ-WDEREUQCSA-N 1 0 228.292 1.154 20 5 BDBDRO CCC[N@H+](CCOC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008189 969333573 /nfs/dbraw/zinc/33/35/73/969333573.db2.gz RUARSUFJWKIFMS-RYUDHWBXSA-N 1 0 244.335 1.790 20 5 BDBDRO CN1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009055 969334230 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212.317 1.031 20 5 BDBDRO C[N@@H+]1CC[C@@H](OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222789452 972697873 /nfs/dbraw/zinc/69/78/73/972697873.db2.gz MVWOFAYHRWNIKU-GFCCVEGCSA-N 1 0 236.271 1.816 20 5 BDBDRO COC(=O)[C@@H]1C[C@H](OCC[N+](C)(C)C)C1(C)C ZINC001224773969 973941026 /nfs/dbraw/zinc/94/10/26/973941026.db2.gz OIOIIFYJZRGLOF-QWRGUYRKSA-N 1 0 244.355 1.297 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCCCCC1OCCO1 ZINC001224814685 973988920 /nfs/dbraw/zinc/98/89/20/973988920.db2.gz SITXKLSPMNFUKC-LBPRGKRZSA-N 1 0 246.371 1.641 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc(CF)nc1 ZINC001225538392 974538813 /nfs/dbraw/zinc/53/88/13/974538813.db2.gz YRVMLVDOENEUNL-VIFPVBQESA-N 1 0 228.291 1.420 20 5 BDBDRO C[C@@H](C[NH+](C)C)Oc1ncccc1[N+](=O)[O-] ZINC001225593801 974582676 /nfs/dbraw/zinc/58/26/76/974582676.db2.gz ZDDWFEPKJAFPIH-QMMMGPOBSA-N 1 0 225.248 1.319 20 5 BDBDRO C[N@@H+]1CCC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628328 974605482 /nfs/dbraw/zinc/60/54/82/974605482.db2.gz HSKVFKJGIYLKQV-SECBINFHSA-N 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248.709 1.743 20 5 BDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(=O)C1 ZINC001173215682 975070603 /nfs/dbraw/zinc/07/06/03/975070603.db2.gz YMGLWDFHFOEFJP-VIFPVBQESA-N 1 0 248.282 1.847 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccn2ccnc2c1 ZINC001229109056 976738142 /nfs/dbraw/zinc/73/81/42/976738142.db2.gz QTBHUXSUADLKIT-LLVKDONJSA-N 1 0 234.323 1.808 20 5 BDBDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC001335412964 977038649 /nfs/dbraw/zinc/03/86/49/977038649.db2.gz SJNQNFYCMCGJBF-ZYHUDNBSSA-N 1 0 238.287 1.283 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(-c2cnco2)c1 ZINC001335463187 977073925 /nfs/dbraw/zinc/07/39/25/977073925.db2.gz COZRMJSFHOAIRZ-UHFFFAOYSA-N 1 0 247.254 1.708 20 5 BDBDRO CCc1cncnc1O[C@@H](C)C[N+](C)(C)C ZINC001230031210 977092161 /nfs/dbraw/zinc/09/21/61/977092161.db2.gz UMGKOGDGSOJVGW-JTQLQIEISA-N 1 0 224.328 1.513 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])C1=CCOCC1 ZINC001336848024 978003055 /nfs/dbraw/zinc/00/30/55/978003055.db2.gz INLJNEDLCMATDS-UHFFFAOYSA-N 1 0 228.292 1.226 20 5 BDBDRO COc1ncc(F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001234885695 978925302 /nfs/dbraw/zinc/92/53/02/978925302.db2.gz QFITTZVXFGRSSA-VIFPVBQESA-N 1 0 243.302 1.703 20 5 BDBDRO CC(C)(C)[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC001341025795 979200842 /nfs/dbraw/zinc/20/08/42/979200842.db2.gz PFWUCLFZYVRNJM-VIFPVBQESA-N 1 0 200.282 1.631 20 5 BDBDRO Cc1c(C(=O)N[C@H]2C[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC001342838792 979909773 /nfs/dbraw/zinc/90/97/73/979909773.db2.gz CXULGFSXDGMTGQ-DTORHVGOSA-N 1 0 249.270 1.123 20 5 BDBDRO Cc1nn(CN(C)CCCF)cc1[N+](=O)[O-] ZINC001349958041 981825964 /nfs/dbraw/zinc/82/59/64/981825964.db2.gz HVUKJZZAMLLWCT-UHFFFAOYSA-N 1 0 230.243 1.349 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC001353331497 982837689 /nfs/dbraw/zinc/83/76/89/982837689.db2.gz WZGKEDHHRUUVBO-QWRGUYRKSA-N 1 0 228.292 1.058 20 5 BDBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000688044036 985511956 /nfs/dbraw/zinc/51/19/56/985511956.db2.gz MIPBPHVUCDPJPH-SKDRFNHKSA-N 1 0 236.271 1.719 20 5 BDBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000688049048 985533929 /nfs/dbraw/zinc/53/39/29/985533929.db2.gz PFLOLAOFWISSIG-KOLCDFICSA-N 1 0 236.271 1.719 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@]12CCCOC2 ZINC001460980640 985976510 /nfs/dbraw/zinc/97/65/10/985976510.db2.gz SQZLSUVRQHSADB-LLVKDONJSA-N 1 0 228.292 1.298 20 5 BDBDRO CN(C[C@@H]1CCC[NH2+]1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246888169 988653020 /nfs/dbraw/zinc/65/30/20/988653020.db2.gz GMFANJKDSWBXOB-SRVKXCTJSA-N 1 0 241.335 1.116 20 5 BDBDRO CCc1cnccc1[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC001119808501 989414224 /nfs/dbraw/zinc/41/42/24/989414224.db2.gz WETPIBOIMAYDJU-SECBINFHSA-N 1 0 223.276 1.571 20 5 BDBDRO Cc1cc(F)ccc1CN(C)CC[N+](=O)[O-] ZINC001119850669 989442585 /nfs/dbraw/zinc/44/25/85/989442585.db2.gz YOGPXMMVTCLBTG-UHFFFAOYSA-N 1 0 226.251 1.843 20 5 BDBDRO C[NH2+]CCCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326276495 989458557 /nfs/dbraw/zinc/45/85/57/989458557.db2.gz BMAWWMOSWSYVQE-UHFFFAOYSA-N 1 0 235.287 1.520 20 5 BDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[NH3+] ZINC001573311120 992597961 /nfs/dbraw/zinc/59/79/61/992597961.db2.gz XRBLBYJCPIXEBU-YFHOEESVSA-N 1 0 235.287 1.546 20 5 BDBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[NH2+]C2)cc1 ZINC000086728262 398153653 /nfs/dbraw/zinc/15/36/53/398153653.db2.gz MEWWVDJOJDSSMW-JTQLQIEISA-N 1 0 221.260 1.046 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000050228207 178271137 /nfs/dbraw/zinc/27/11/37/178271137.db2.gz LPTQWMAIYCMORL-SECBINFHSA-N 1 0 249.270 1.076 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+][C@@H](C)C1 ZINC000349835552 398309174 /nfs/dbraw/zinc/30/91/74/398309174.db2.gz QKDOHHLNRQRATK-NSHDSACASA-N 1 0 249.314 1.697 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000043326474 343051206 /nfs/dbraw/zinc/05/12/06/343051206.db2.gz FHOAUSZKCWQGJH-JTQLQIEISA-N 1 0 221.260 1.759 20 5 BDBDRO C[C@H](NC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000084418411 344191997 /nfs/dbraw/zinc/19/19/97/344191997.db2.gz LSWYZXRQVDYKSM-QMMMGPOBSA-N 1 0 221.260 1.217 20 5 BDBDRO Cc1ccc(N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000080684756 345430538 /nfs/dbraw/zinc/43/05/38/345430538.db2.gz KKFBEKCSERKQJC-UHFFFAOYSA-N 1 0 237.303 1.901 20 5 BDBDRO C[C@@H]([NH3+])[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000158844619 345584155 /nfs/dbraw/zinc/58/41/55/345584155.db2.gz NWVJEIMOADDSSJ-ZJUUUORDSA-N 1 0 235.287 1.768 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235668623 178928828 /nfs/dbraw/zinc/92/88/28/178928828.db2.gz COCJGJGMXGLZNN-UWVGGRQHSA-N 1 0 235.287 1.687 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]([NH3+])C1 ZINC000125755499 179206780 /nfs/dbraw/zinc/20/67/80/179206780.db2.gz FDRVAFSKYCQZGD-VIFPVBQESA-N 1 0 221.260 1.441 20 5 BDBDRO C[C@H](NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591577201 347676642 /nfs/dbraw/zinc/67/66/42/347676642.db2.gz ANLRYYPMFNKFLD-JTQLQIEISA-N 1 0 249.314 1.997 20 5 BDBDRO C[C@@H](NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591577202 347676997 /nfs/dbraw/zinc/67/69/97/347676997.db2.gz ANLRYYPMFNKFLD-SNVBAGLBSA-N 1 0 249.314 1.997 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCOC1 ZINC000591641887 347682316 /nfs/dbraw/zinc/68/23/16/347682316.db2.gz OAFSPGMYHYVJKP-OGOUPESXSA-N 1 0 248.282 1.987 20 5 BDBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CC[NH2+]C1 ZINC000592477213 347791512 /nfs/dbraw/zinc/79/15/12/347791512.db2.gz SMJFHDHVORWBDG-NSHDSACASA-N 1 0 249.314 1.636 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]1O ZINC000594514736 348061742 /nfs/dbraw/zinc/06/17/42/348061742.db2.gz ANUQFKAGNCYCAR-DMDPSCGWSA-N 1 0 248.282 1.695 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC2(COC2)C1 ZINC000595835740 348369225 /nfs/dbraw/zinc/36/92/25/348369225.db2.gz XSMNIZWTTGIZHN-UHFFFAOYSA-N 1 0 248.282 1.817 20 5 BDBDRO [NH3+][C@H]1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595924025 348401798 /nfs/dbraw/zinc/40/17/98/348401798.db2.gz FRBOTYMBDDUKLT-ZKCHVHJHSA-N 1 0 235.243 1.271 20 5 BDBDRO Cc1cn(CC[C@@H]2CC[NH2+]C2)nc1[N+](=O)[O-] ZINC000396653723 349377426 /nfs/dbraw/zinc/37/74/26/349377426.db2.gz PDUXXIIUVAEGSD-VIFPVBQESA-N 1 0 224.264 1.099 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCCCC1 ZINC000339185120 180176693 /nfs/dbraw/zinc/17/66/93/180176693.db2.gz UESQHFPVWPODEO-UHFFFAOYSA-N 1 0 238.291 1.586 20 5 BDBDRO Cc1nn(CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000295149930 180387705 /nfs/dbraw/zinc/38/77/05/180387705.db2.gz FVJCEAXZWAYJAH-UHFFFAOYSA-N 1 0 238.291 1.586 20 5 BDBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000293315240 351016250 /nfs/dbraw/zinc/01/62/50/351016250.db2.gz FRVYYDSPZKTHPG-JTQLQIEISA-N 1 0 238.287 1.798 20 5 BDBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000386835048 363049256 /nfs/dbraw/zinc/04/92/56/363049256.db2.gz ILXGVVSMAKFICH-ONGXEEELSA-N 1 0 238.287 1.844 20 5 BDBDRO C[C@@H]([NH2+]CCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000037713582 188255230 /nfs/dbraw/zinc/25/52/30/188255230.db2.gz JIBJXVSHWFUNIM-SECBINFHSA-N 1 0 223.276 1.594 20 5 BDBDRO CC(C)([NH3+])CNc1ccc([N+](=O)[O-])cn1 ZINC000095936696 188321805 /nfs/dbraw/zinc/32/18/05/188321805.db2.gz YDBASDKNBUHRLR-UHFFFAOYSA-N 1 0 210.237 1.139 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)c(F)c1 ZINC000449749509 202021463 /nfs/dbraw/zinc/02/14/63/202021463.db2.gz GCIPTOSFJFAWLZ-WAAGHKOSSA-N 1 0 240.234 1.347 20 5 BDBDRO Cc1ccc(CN2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000414768705 191565015 /nfs/dbraw/zinc/56/50/15/191565015.db2.gz LBWMLTHYCPBCKF-JQWIXIFHSA-N 1 0 249.314 1.825 20 5 BDBDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000415033204 191657525 /nfs/dbraw/zinc/65/75/25/191657525.db2.gz GSNLMPMFBVYOQU-GFCCVEGCSA-N 1 0 249.314 1.825 20 5 BDBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000352186353 134099763 /nfs/dbraw/zinc/09/97/63/134099763.db2.gz LITYYYRCHRIXNA-JTQLQIEISA-N 1 0 238.287 1.798 20 5 BDBDRO CC1(C)C[NH2+]CCN1Cc1ccccc1[N+](=O)[O-] ZINC000088138058 356531441 /nfs/dbraw/zinc/53/14/41/356531441.db2.gz SDKFDFZFKGPLHS-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO O=[N+]([O-])c1ccc(-c2cnn3c2C[NH2+]CC3)cc1 ZINC000675077023 538512871 /nfs/dbraw/zinc/51/28/71/538512871.db2.gz WGVLNNMICPEJJY-UHFFFAOYSA-N 1 0 244.254 1.562 20 5 BDBDRO C[NH2+]CCN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000346688287 357137121 /nfs/dbraw/zinc/13/71/21/357137121.db2.gz XQAGNMODNDKCMC-UHFFFAOYSA-N 1 0 237.303 1.554 20 5 BDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cn[nH]c1 ZINC000610271403 357404961 /nfs/dbraw/zinc/40/49/61/357404961.db2.gz WKVARGASKLGEPP-UHFFFAOYSA-N 1 0 246.270 1.650 20 5 BDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])NC1C[NH2+]C1 ZINC000582899031 357425077 /nfs/dbraw/zinc/42/50/77/357425077.db2.gz OAOPKQYECOXKOL-JTQLQIEISA-N 1 0 249.314 1.477 20 5 BDBDRO O=[N+]([O-])c1cccc(CO[C@@H]2CCC[NH2+]C2)c1 ZINC000035781801 359371717 /nfs/dbraw/zinc/37/17/17/359371717.db2.gz WPPUYYBLHAXIGH-GFCCVEGCSA-N 1 0 236.271 1.863 20 5 BDBDRO COCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605945 359969517 /nfs/dbraw/zinc/96/95/17/359969517.db2.gz VOOFHMPRDZOJSH-UHFFFAOYSA-N 1 0 236.271 1.599 20 5 BDBDRO C[C@H](CC[NH3+])NCc1ccccc1[N+](=O)[O-] ZINC000414884929 200775690 /nfs/dbraw/zinc/77/56/90/200775690.db2.gz OLTUXCNNQGKFIA-SECBINFHSA-N 1 0 223.276 1.422 20 5 BDBDRO [NH3+]C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036754053 181343231 /nfs/dbraw/zinc/34/32/31/181343231.db2.gz RYKGRDIVCOWWLL-UHFFFAOYSA-N 1 0 249.314 1.560 20 5 BDBDRO [NH3+]CCCCNc1ncccc1[N+](=O)[O-] ZINC000037714982 181377892 /nfs/dbraw/zinc/37/78/92/181377892.db2.gz GLSKOTXXRKBUQU-UHFFFAOYSA-N 1 0 210.237 1.141 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107571288 369353107 /nfs/dbraw/zinc/35/31/07/369353107.db2.gz AWVXSPLIQLVKKT-NXEZZACHSA-N 1 0 233.271 1.250 20 5 BDBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401953451 369375591 /nfs/dbraw/zinc/37/55/91/369375591.db2.gz WENJHRWEMBZNBP-ONGXEEELSA-N 1 0 236.271 1.862 20 5 BDBDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1ccccc1[N+](=O)[O-] ZINC000601329855 371747637 /nfs/dbraw/zinc/74/76/37/371747637.db2.gz NKTGFWBJZGPZBD-GXSJLCMTSA-N 1 0 235.287 1.516 20 5 BDBDRO CC(C)[C@H](C)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439115 371803620 /nfs/dbraw/zinc/80/36/20/371803620.db2.gz MPYQXDKSAVRTHX-VIFPVBQESA-N 1 0 240.307 1.805 20 5 BDBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473417 371809809 /nfs/dbraw/zinc/80/98/09/371809809.db2.gz QWFINZBFSMRSRS-RKDXNWHRSA-N 1 0 238.291 1.559 20 5 BDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000602598990 371822722 /nfs/dbraw/zinc/82/27/22/371822722.db2.gz NHCQPUYYJLNUQA-PSASIEDQSA-N 1 0 249.270 1.157 20 5 BDBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602824218 371844287 /nfs/dbraw/zinc/84/42/87/371844287.db2.gz YGSNHVIZDSKLLU-WCBMZHEXSA-N 1 0 238.291 1.607 20 5 BDBDRO CC(C)[NH+](Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602796397 371840413 /nfs/dbraw/zinc/84/04/13/371840413.db2.gz GDDSXTUKYUZXSG-UHFFFAOYSA-N 1 0 240.307 1.947 20 5 BDBDRO CN1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000040672423 373588641 /nfs/dbraw/zinc/58/86/41/373588641.db2.gz WLMVQZWGKLIMLR-LBPRGKRZSA-N 1 0 249.314 1.779 20 5 BDBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176230338 169170463 /nfs/dbraw/zinc/17/04/63/169170463.db2.gz UGYHNUFOPGLYJO-UHFFFAOYSA-N 1 0 238.291 1.666 20 5 BDBDRO CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365837767 169191320 /nfs/dbraw/zinc/19/13/20/169191320.db2.gz MEEKEURHMLEEBT-UHFFFAOYSA-N 1 0 238.291 1.838 20 5 BDBDRO C[C@H](C[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000111302960 383851073 /nfs/dbraw/zinc/85/10/73/383851073.db2.gz BKBBIJPARSLXQY-ILFKPUCNSA-N 1 0 249.270 1.071 20 5 BDBDRO C[C@H](CCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000096811703 383942527 /nfs/dbraw/zinc/94/25/27/383942527.db2.gz UOHUBEPHPMXLRN-SECBINFHSA-N 1 0 224.260 1.455 20 5 BDBDRO CC[N@H+](CCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000158656492 384081223 /nfs/dbraw/zinc/08/12/23/384081223.db2.gz DVFGLWVXTXJVRK-UHFFFAOYSA-N 1 0 238.287 1.717 20 5 BDBDRO C[C@H](C[NH3+])N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000235462363 384408658 /nfs/dbraw/zinc/40/86/58/384408658.db2.gz BNCNDUCLHWYKMW-RKDXNWHRSA-N 1 0 223.276 1.593 20 5 BDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[NH2+]C2)s1 ZINC000226780370 384492069 /nfs/dbraw/zinc/49/20/69/384492069.db2.gz IPMYDIAFBBKOQX-ZCFIWIBFSA-N 1 0 228.277 1.215 20 5 BDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCO ZINC000082829133 384575438 /nfs/dbraw/zinc/57/54/38/384575438.db2.gz XHCZPZXJGGJSCZ-UHFFFAOYSA-N 1 0 230.651 1.330 20 5 BDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000050245736 384607482 /nfs/dbraw/zinc/60/74/82/384607482.db2.gz VSSCVNUPGNRYOR-SECBINFHSA-N 1 0 249.270 1.016 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)C1CC1 ZINC000071300362 384804616 /nfs/dbraw/zinc/80/46/16/384804616.db2.gz PRPITFSWVXVKTR-LBPRGKRZSA-N 1 0 236.271 1.455 20 5 BDBDRO O=[N+]([O-])c1cnc(NCC[N@H+]2CC=CCC2)nc1 ZINC000280270059 385187392 /nfs/dbraw/zinc/18/73/92/385187392.db2.gz OSBNXOXXQILRRT-UHFFFAOYSA-N 1 0 249.274 1.059 20 5 BDBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000120156728 385195602 /nfs/dbraw/zinc/19/56/02/385195602.db2.gz ZNUXQIJYEXMHRP-LBPRGKRZSA-N 1 0 236.271 1.863 20 5 BDBDRO O=[N+]([O-])c1ccccc1CO[C@H]1CC[NH2+]C1 ZINC000051782555 385915577 /nfs/dbraw/zinc/91/55/77/385915577.db2.gz BQNZJTJYPCIGRU-JTQLQIEISA-N 1 0 222.244 1.473 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CNCC1([NH3+])CCC1 ZINC000414879125 385948224 /nfs/dbraw/zinc/94/82/24/385948224.db2.gz PCZHOIHWBNMOFB-UHFFFAOYSA-N 1 0 249.314 1.874 20 5 BDBDRO C[C@H](N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000094087108 386443747 /nfs/dbraw/zinc/44/37/47/386443747.db2.gz OMSRDIXKKWFJIQ-ONGXEEELSA-N 1 0 235.287 1.607 20 5 BDBDRO CC[NH+](CC)CCn1cc([N+](=O)[O-])c(C)n1 ZINC000294121357 386393249 /nfs/dbraw/zinc/39/32/49/386393249.db2.gz DTXDAZCCOVYTKR-UHFFFAOYSA-N 1 0 226.280 1.442 20 5 BDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000053254190 386557667 /nfs/dbraw/zinc/55/76/67/386557667.db2.gz JGEPVTFCDJYYKG-JTQLQIEISA-N 1 0 249.270 1.077 20 5 BDBDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000159464359 386559663 /nfs/dbraw/zinc/55/96/63/386559663.db2.gz GGXSLSVCOICJHY-UWVGGRQHSA-N 1 0 238.287 1.968 20 5 BDBDRO CC(C)[C@H]([NH3+])CNCc1ccccc1[N+](=O)[O-] ZINC000414801753 386603936 /nfs/dbraw/zinc/60/39/36/386603936.db2.gz USBFVSSFAZJEGX-LLVKDONJSA-N 1 0 237.303 1.668 20 5 BDBDRO C[C@H](C[NH3+])N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000237635382 387047353 /nfs/dbraw/zinc/04/73/53/387047353.db2.gz FVIXEEIOMOZREZ-MRVPVSSYSA-N 1 0 237.259 1.014 20 5 BDBDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000127246018 387100898 /nfs/dbraw/zinc/10/08/98/387100898.db2.gz WYILWNIMOGCPJO-VIFPVBQESA-N 1 0 238.287 1.844 20 5 BDBDRO CC(C)[C@@H]([NH3+])CNCc1ccccc1[N+](=O)[O-] ZINC000414801755 387134560 /nfs/dbraw/zinc/13/45/60/387134560.db2.gz USBFVSSFAZJEGX-NSHDSACASA-N 1 0 237.303 1.668 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cocn2)cc1 ZINC000192307951 387359531 /nfs/dbraw/zinc/35/95/31/387359531.db2.gz GLLXMABYMPVZOZ-UHFFFAOYSA-N 1 0 247.254 1.915 20 5 BDBDRO O=[N+]([O-])c1cnccc1NCC[NH+]1CCCC1 ZINC000054128695 387347117 /nfs/dbraw/zinc/34/71/17/387347117.db2.gz LBSFZSPRPXNDGR-UHFFFAOYSA-N 1 0 236.275 1.498 20 5 BDBDRO CC[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677768 387438192 /nfs/dbraw/zinc/43/81/92/387438192.db2.gz XXYIHNGHHCGHHM-LLVKDONJSA-N 1 0 238.287 1.498 20 5 BDBDRO CC[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677766 387438579 /nfs/dbraw/zinc/43/85/79/387438579.db2.gz XXYIHNGHHCGHHM-NSHDSACASA-N 1 0 238.287 1.498 20 5 BDBDRO CCC([NH3+])(CC)CNc1c([N+](=O)[O-])ncn1C ZINC000130069682 387503949 /nfs/dbraw/zinc/50/39/49/387503949.db2.gz LSMLWNKTRWGYDX-UHFFFAOYSA-N 1 0 241.295 1.258 20 5 BDBDRO C[C@H](C[NH3+])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000347205612 387532246 /nfs/dbraw/zinc/53/22/46/387532246.db2.gz LZVCDYFHURAHPL-SECBINFHSA-N 1 0 223.276 1.374 20 5 BDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000414921293 387605689 /nfs/dbraw/zinc/60/56/89/387605689.db2.gz DIZCLZSXBBNRTQ-MFKMUULPSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1F ZINC000414948486 387613961 /nfs/dbraw/zinc/61/39/61/387613961.db2.gz XIWZDUBTBPSWEW-ZETCQYMHSA-N 1 0 227.239 1.171 20 5 BDBDRO C[C@@H](C[NH3+])N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347034790 387842646 /nfs/dbraw/zinc/84/26/46/387842646.db2.gz CNJUVXJHYRTKJN-XOIDGJRKSA-N 1 0 249.314 1.887 20 5 BDBDRO C[C@@H]([NH2+]CCC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000036746800 388258918 /nfs/dbraw/zinc/25/89/18/388258918.db2.gz CPUWSNLCBZGKCV-MRVPVSSYSA-N 1 0 237.259 1.121 20 5 BDBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000271023937 388370099 /nfs/dbraw/zinc/37/00/99/388370099.db2.gz VMWVFLYRQZRTNU-GQCTYLIASA-N 1 0 236.271 1.532 20 5 BDBDRO Cc1cnc(N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692621 388471779 /nfs/dbraw/zinc/47/17/79/388471779.db2.gz STPZDGJKQDGRAE-VIFPVBQESA-N 1 0 236.275 1.462 20 5 BDBDRO C[C@H](O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000078780458 388685382 /nfs/dbraw/zinc/68/53/82/388685382.db2.gz HXXRBWBOPGADOL-VIFPVBQESA-N 1 0 224.260 1.455 20 5 BDBDRO CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447513417 388736444 /nfs/dbraw/zinc/73/64/44/388736444.db2.gz VZBVYJDMOMLOJB-ZJUUUORDSA-N 1 0 238.291 1.885 20 5 BDBDRO C[C@@H](O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774754 388754341 /nfs/dbraw/zinc/75/43/41/388754341.db2.gz PHXSYRYUNFEBDG-MRVPVSSYSA-N 1 0 242.250 1.547 20 5 BDBDRO CC[C@@H](N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422839540 388687377 /nfs/dbraw/zinc/68/73/77/388687377.db2.gz QMFJUPKNJODENC-DGCLKSJQSA-N 1 0 249.314 1.997 20 5 BDBDRO Cc1c([C@@H](C)N[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423210216 388688511 /nfs/dbraw/zinc/68/85/11/388688511.db2.gz WLAAFPIBQXBKMZ-GHMZBOCLSA-N 1 0 249.314 1.916 20 5 BDBDRO NCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423176734 388688671 /nfs/dbraw/zinc/68/86/71/388688671.db2.gz CWNMMNRFONIYNE-LBPRGKRZSA-N 1 0 249.314 1.464 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CC[C@H]1O ZINC000424194587 388695041 /nfs/dbraw/zinc/69/50/41/388695041.db2.gz BNFSPNNBHVMEIH-VWRYTFAISA-N 1 0 248.282 1.721 20 5 BDBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000125730582 388805720 /nfs/dbraw/zinc/80/57/20/388805720.db2.gz NJTQPKVRSSLTTK-SFYZADRCSA-N 1 0 244.316 1.763 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])C2)n1 ZINC000162855055 132233643 /nfs/dbraw/zinc/23/36/43/132233643.db2.gz XBWMEBJLYXNQJF-SECBINFHSA-N 1 0 236.275 1.226 20 5 BDBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000083814020 133560160 /nfs/dbraw/zinc/56/01/60/133560160.db2.gz VETWGIRYKXABBY-MRVPVSSYSA-N 1 0 241.316 1.450 20 5 BDBDRO C[C@H]1C[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])nc1 ZINC000216239672 133964869 /nfs/dbraw/zinc/96/48/69/133964869.db2.gz WNAMRQPFYIFJCJ-DTWKUNHWSA-N 1 0 236.275 1.163 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)[NH3+] ZINC000168403042 134198146 /nfs/dbraw/zinc/19/81/46/134198146.db2.gz MFUBBZRHSHPTTN-UHFFFAOYSA-N 1 0 224.264 1.447 20 5 BDBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000168672438 134241091 /nfs/dbraw/zinc/24/10/91/134241091.db2.gz ROGMHRVLXSNZPA-ZYHUDNBSSA-N 1 0 249.314 1.764 20 5 BDBDRO CN(c1ccc(F)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000085258365 134274091 /nfs/dbraw/zinc/27/40/91/134274091.db2.gz ZLZLSTYJQUQNIB-UHFFFAOYSA-N 1 0 225.223 1.142 20 5 BDBDRO C[C@@H](O)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000087129376 135107397 /nfs/dbraw/zinc/10/73/97/135107397.db2.gz PROVGHWHUYXLJI-DTWKUNHWSA-N 1 0 224.260 1.454 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH3+])C1 ZINC000257364328 135131438 /nfs/dbraw/zinc/13/14/38/135131438.db2.gz FMUAHKRWAQYRFL-VHSXEESVSA-N 1 0 235.287 1.689 20 5 BDBDRO Cc1nc(N2CC[C@@H]([NH3+])[C@H]2C)ccc1[N+](=O)[O-] ZINC000261549572 135188139 /nfs/dbraw/zinc/18/81/39/135188139.db2.gz KQLXRZCOCDIJOS-RKDXNWHRSA-N 1 0 236.275 1.224 20 5 BDBDRO Cc1ccnc(N2CC[C@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC000261554176 135193933 /nfs/dbraw/zinc/19/39/33/135193933.db2.gz OPIQDTZXJWKORC-IUCAKERBSA-N 1 0 236.275 1.224 20 5 BDBDRO CC[NH2+]CCNc1c([N+](=O)[O-])nc(C)n1CC ZINC000261565376 135207340 /nfs/dbraw/zinc/20/73/40/135207340.db2.gz YGGZHTWTUJSMJZ-UHFFFAOYSA-N 1 0 241.295 1.141 20 5 BDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000261575566 135216556 /nfs/dbraw/zinc/21/65/56/135216556.db2.gz NFQZTXWILMKARG-WPRPVWTQSA-N 1 0 249.270 1.157 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)nc1 ZINC000261583427 135224236 /nfs/dbraw/zinc/22/42/36/135224236.db2.gz RSTJITYZXQZWAT-GXSJLCMTSA-N 1 0 248.286 1.178 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261585615 135227246 /nfs/dbraw/zinc/22/72/46/135227246.db2.gz TXYQNRNYHOGOCM-VHSXEESVSA-N 1 0 248.286 1.178 20 5 BDBDRO Cc1cccc(N2CC[C@H]([NH3+])[C@H]2C)c1[N+](=O)[O-] ZINC000261547842 135240808 /nfs/dbraw/zinc/24/08/08/135240808.db2.gz IRSMMEMFNMVZAS-ZJUUUORDSA-N 1 0 235.287 1.829 20 5 BDBDRO C[C@H](C[NH3+])NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414939394 398117298 /nfs/dbraw/zinc/11/72/98/398117298.db2.gz YJZZMOODQJXGPF-DFVUYQKZSA-N 1 0 235.287 1.545 20 5 BDBDRO CC[NH2+]CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000054267324 170116123 /nfs/dbraw/zinc/11/61/23/170116123.db2.gz HBRMSQHFHVLQMZ-UHFFFAOYSA-N 1 0 223.276 1.925 20 5 BDBDRO CCOc1cccc(NCC[NH2+]C)c1[N+](=O)[O-] ZINC000135051092 170581755 /nfs/dbraw/zinc/58/17/55/170581755.db2.gz LRTQRTCJSCMXJJ-UHFFFAOYSA-N 1 0 239.275 1.625 20 5 BDBDRO C[N@@H+]1CCCC[C@H]1CCn1nccc1[N+](=O)[O-] ZINC000284260575 173008375 /nfs/dbraw/zinc/00/83/75/173008375.db2.gz PBFMVCZLIWMYGQ-JTQLQIEISA-N 1 0 238.291 1.666 20 5 BDBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000271750041 173319747 /nfs/dbraw/zinc/31/97/47/173319747.db2.gz VCXUYBFDFPGEEM-UHFFFAOYSA-N 1 0 238.291 1.708 20 5 BDBDRO C[NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])s1 ZINC000282018725 173320079 /nfs/dbraw/zinc/32/00/79/173320079.db2.gz VROMHNJMXOIKTP-UHFFFAOYSA-N 1 0 230.293 1.461 20 5 BDBDRO C[NH2+]CCN(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000069802626 173353605 /nfs/dbraw/zinc/35/36/05/173353605.db2.gz IXNWNYQKQTYUQH-UHFFFAOYSA-N 1 0 243.694 1.904 20 5 BDBDRO C[NH2+]CCN(C)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000070304472 173353618 /nfs/dbraw/zinc/35/36/18/173353618.db2.gz IPORXLPKKQWAMI-UHFFFAOYSA-N 1 0 239.275 1.259 20 5 BDBDRO C[NH2+]CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000070303367 173353711 /nfs/dbraw/zinc/35/37/11/173353711.db2.gz XSDPEPURFLUVDV-UHFFFAOYSA-N 1 0 223.276 1.246 20 5 BDBDRO C[NH2+]CCNc1ccc([N+](=O)[O-])cc1C ZINC000054244756 173356924 /nfs/dbraw/zinc/35/69/24/173356924.db2.gz SZDWGKSYPSOKFO-UHFFFAOYSA-N 1 0 209.249 1.535 20 5 BDBDRO C[NH2+]CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000054244828 173357044 /nfs/dbraw/zinc/35/70/44/173357044.db2.gz WFKFQMHMSOTCBQ-UHFFFAOYSA-N 1 0 246.270 1.774 20 5 BDBDRO COc1cccc(N2CC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000135050618 175275915 /nfs/dbraw/zinc/27/59/15/175275915.db2.gz CTAXLCGVNHAXAO-QMMMGPOBSA-N 1 0 237.259 1.141 20 5 BDBDRO C[C@@H](CCO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000085126700 175677920 /nfs/dbraw/zinc/67/79/20/175677920.db2.gz GBMYRMPLSPTYES-QMMMGPOBSA-N 1 0 244.316 1.764 20 5 BDBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351783319 176304881 /nfs/dbraw/zinc/30/48/81/176304881.db2.gz RKWHIXOZNFGJPH-BXKDBHETSA-N 1 0 236.271 1.407 20 5 BDBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000177872725 177161969 /nfs/dbraw/zinc/16/19/69/177161969.db2.gz AFAOFKSTHYSENB-VHSXEESVSA-N 1 0 238.291 1.522 20 5 BDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000235647586 177227598 /nfs/dbraw/zinc/22/75/98/177227598.db2.gz ZQSZLEDYARVHKE-GZMMTYOYSA-N 1 0 249.270 1.014 20 5 BDBDRO CC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000096478885 322957959 /nfs/dbraw/zinc/95/79/59/322957959.db2.gz AHSJIRYDXRAHDE-LBPRGKRZSA-N 1 0 238.287 1.845 20 5 BDBDRO Cc1nc(N[C@H](C)C[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000570162627 323051437 /nfs/dbraw/zinc/05/14/37/323051437.db2.gz MSUGUIIYQZYYRF-RNFRBKRXSA-N 1 0 239.279 1.231 20 5 BDBDRO Cc1nc(N[C@@H](C)C[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000570162628 323051488 /nfs/dbraw/zinc/05/14/88/323051488.db2.gz MSUGUIIYQZYYRF-RQJHMYQMSA-N 1 0 239.279 1.231 20 5 BDBDRO Cc1ccc([C@@H](C)NC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000570918415 323074219 /nfs/dbraw/zinc/07/42/19/323074219.db2.gz JAMYAIBJZIJTRM-SECBINFHSA-N 1 0 235.287 1.526 20 5 BDBDRO Cc1c(C[N@@H+](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000051822057 488049477 /nfs/dbraw/zinc/04/94/77/488049477.db2.gz ZKGXZFCWVIHSFI-VIFPVBQESA-N 1 0 238.287 1.716 20 5 BDBDRO C[NH2+][C@H](C)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000261575124 536404578 /nfs/dbraw/zinc/40/45/78/536404578.db2.gz JPOBJMCOVLLMBD-MRVPVSSYSA-N 1 0 224.264 1.318 20 5 BDBDRO C[NH2+][C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000053204729 536415295 /nfs/dbraw/zinc/41/52/95/536415295.db2.gz WMMXSWHENBZWQB-JTQLQIEISA-N 1 0 235.287 1.783 20 5 BDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC000894881952 583544241 /nfs/dbraw/zinc/54/42/41/583544241.db2.gz PQHGOACENXPWCS-PHIMTYICSA-N 1 0 247.298 1.878 20 5 BDBDRO C[C@@H](C[NH3+])NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841063172 584126872 /nfs/dbraw/zinc/12/68/72/584126872.db2.gz JKQBXQLQLMPJSA-ZETCQYMHSA-N 1 0 243.694 1.685 20 5 BDBDRO Cc1cc(C[NH2+]CC[N+](=O)[O-])ccc1F ZINC000899867136 584243953 /nfs/dbraw/zinc/24/39/53/584243953.db2.gz ZYQNLJPYBFPVQY-UHFFFAOYSA-N 1 0 212.224 1.500 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1COc2ccccc2C1 ZINC000899868263 584244093 /nfs/dbraw/zinc/24/40/93/584244093.db2.gz XEKKNDDJKQLEDG-JTQLQIEISA-N 1 0 236.271 1.104 20 5 BDBDRO CN(C)[C@H](C[NH2+]CC[N+](=O)[O-])c1ccsc1 ZINC000899865867 584245679 /nfs/dbraw/zinc/24/56/79/584245679.db2.gz LAWDUTBSXKILGL-SNVBAGLBSA-N 1 0 243.332 1.217 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000899873277 584246017 /nfs/dbraw/zinc/24/60/17/584246017.db2.gz LPWKFKDCICSXON-UHFFFAOYSA-N 1 0 239.231 1.004 20 5 BDBDRO CC(C)[C@H]1[N@H+](CC[N+](=O)[O-])CC12CCOCC2 ZINC000899887739 584247813 /nfs/dbraw/zinc/24/78/13/584247813.db2.gz FVLJMBJYAMCWHP-LLVKDONJSA-N 1 0 242.319 1.400 20 5 BDBDRO Cc1noc(CN(C)CCCF)c1[N+](=O)[O-] ZINC000887142779 585447334 /nfs/dbraw/zinc/44/73/34/585447334.db2.gz ZQSVXPLNZDBLFO-UHFFFAOYSA-N 1 0 231.227 1.683 20 5 BDBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC[N+](=O)[O-] ZINC000787735326 585915098 /nfs/dbraw/zinc/91/50/98/585915098.db2.gz FRKATMBEXMJIOM-ZETCQYMHSA-N 1 0 240.225 1.926 20 5 BDBDRO C[N@@H+]1CCN(CC[N+](=O)[O-])C2(CCCCC2)C1 ZINC000791051451 585972849 /nfs/dbraw/zinc/97/28/49/585972849.db2.gz DKSIYWUNQGXVOS-UHFFFAOYSA-N 1 0 241.335 1.213 20 5 BDBDRO CC[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000791054251 585973321 /nfs/dbraw/zinc/97/33/21/585973321.db2.gz SBYVWBGCUGVNGI-UHFFFAOYSA-N 1 0 208.261 1.785 20 5 BDBDRO CN(CC[NH3+])Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841101528 587946424 /nfs/dbraw/zinc/94/64/24/587946424.db2.gz WWCSPYHJVKNQMK-UHFFFAOYSA-N 1 0 243.694 1.639 20 5 BDBDRO [NH2+]=C(NCc1ccccc1[N+](=O)[O-])N1CCC1 ZINC000848984748 588425068 /nfs/dbraw/zinc/42/50/68/588425068.db2.gz RGIITYSDNRQJCE-UHFFFAOYSA-N 1 0 234.259 1.325 20 5 BDBDRO C[C@H]([NH3+])CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000863653839 589308068 /nfs/dbraw/zinc/30/80/68/589308068.db2.gz QOIIRHMWXQFKND-ZRQQLDRUSA-N 1 0 249.314 1.887 20 5 BDBDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC000864454023 589365897 /nfs/dbraw/zinc/36/58/97/589365897.db2.gz RQNBZEIKTTUHCW-WPRPVWTQSA-N 1 0 248.286 1.617 20 5 BDBDRO Cc1ccc(CN[C@@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000873253425 590009330 /nfs/dbraw/zinc/00/93/30/590009330.db2.gz XKQNXQMGNWZVLB-JTQLQIEISA-N 1 0 249.314 1.601 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000878318460 590543993 /nfs/dbraw/zinc/54/39/93/590543993.db2.gz ZIIVLZGXBLZJAZ-ZJUUUORDSA-N 1 0 236.275 1.194 20 5 BDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](CF)C2)n1 ZINC000880295872 590990644 /nfs/dbraw/zinc/99/06/44/590990644.db2.gz ZLQXQOXJUZMNIX-VIFPVBQESA-N 1 0 242.254 1.083 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000133816839 591860567 /nfs/dbraw/zinc/86/05/67/591860567.db2.gz GRZHNDXHDNJRID-QMMMGPOBSA-N 1 0 239.250 1.755 20 5 BDBDRO C[C@@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1C ZINC000308685625 631523317 /nfs/dbraw/zinc/52/33/17/631523317.db2.gz ZIWKTJNQPHNJRZ-KXUCPTDWSA-N 1 0 200.282 1.677 20 5 BDBDRO O=[N+]([O-])c1cc(OCC2C[NH2+]C2)ccc1Cl ZINC000309325728 632005587 /nfs/dbraw/zinc/00/55/87/632005587.db2.gz QXCXORJZKDNKKD-UHFFFAOYSA-N 1 0 242.662 1.846 20 5 BDBDRO C[C@H]([NH3+])CN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000309408742 632048747 /nfs/dbraw/zinc/04/87/47/632048747.db2.gz IJDGXTPSZSCVMT-ZETCQYMHSA-N 1 0 227.239 1.517 20 5 BDBDRO C[C@@H](CCNc1c([N+](=O)[O-])cnn1C)[NH+](C)C ZINC000894521055 635903451 /nfs/dbraw/zinc/90/34/51/635903451.db2.gz JLSUSSRJLOIVLU-QMMMGPOBSA-N 1 0 241.295 1.080 20 5 BDBDRO CO[C@]1(C)C[C@H]([NH2+]CC[N+](=O)[O-])C1(C)C ZINC000930626815 633954364 /nfs/dbraw/zinc/95/43/64/633954364.db2.gz AYSHVUPHWBPBIX-WCBMZHEXSA-N 1 0 216.281 1.056 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCC(F)(F)CC1 ZINC000931170434 634242780 /nfs/dbraw/zinc/24/27/80/634242780.db2.gz KNIOCOAGSHSEMQ-UHFFFAOYSA-N 1 0 208.208 1.384 20 5 BDBDRO C[C@@H](O)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000094653939 635379270 /nfs/dbraw/zinc/37/92/70/635379270.db2.gz LAWAOMKQWPKSBE-VHSXEESVSA-N 1 0 238.287 1.496 20 5 BDBDRO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000342187205 636327903 /nfs/dbraw/zinc/32/79/03/636327903.db2.gz FPILPZHPNJPNTA-NXEZZACHSA-N 1 0 238.287 1.762 20 5 BDBDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000342187209 636328733 /nfs/dbraw/zinc/32/87/33/636328733.db2.gz FPILPZHPNJPNTA-VHSXEESVSA-N 1 0 238.287 1.762 20 5 BDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905029000 637576373 /nfs/dbraw/zinc/57/63/73/637576373.db2.gz VRWOHKKPAHRUSZ-JTQLQIEISA-N 1 0 208.261 1.656 20 5 BDBDRO CC1(C[NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000905158220 637639282 /nfs/dbraw/zinc/63/92/82/637639282.db2.gz HCWUUTICIZBSFG-UHFFFAOYSA-N 1 0 200.282 1.823 20 5 BDBDRO COc1cc(CC[NH2+]CC[N+](=O)[O-])ccc1C ZINC000905131654 637641693 /nfs/dbraw/zinc/64/16/93/637641693.db2.gz GYZJLSZFRISMDP-UHFFFAOYSA-N 1 0 238.287 1.412 20 5 BDBDRO Cc1cccn2cc(CC[NH2+]CC[N+](=O)[O-])nc12 ZINC000905143488 637651050 /nfs/dbraw/zinc/65/10/50/637651050.db2.gz AKCDBVPZDDCXDV-UHFFFAOYSA-N 1 0 248.286 1.052 20 5 BDBDRO COc1cc(C)cc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905178539 637662670 /nfs/dbraw/zinc/66/26/70/637662670.db2.gz BCXZTBNIJKVNOO-UHFFFAOYSA-N 1 0 224.260 1.370 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000905189315 637669208 /nfs/dbraw/zinc/66/92/08/637669208.db2.gz HVDTUYJARIMQPX-VGMNWLOBSA-N 1 0 248.373 1.232 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(Cl)nc1 ZINC000905167159 637678066 /nfs/dbraw/zinc/67/80/66/637678066.db2.gz IUKKJKCBEFLCRD-UHFFFAOYSA-N 1 0 229.667 1.144 20 5 BDBDRO CC(C)C(C[NH2+]CC[N+](=O)[O-])C(C)C ZINC000905227613 637688547 /nfs/dbraw/zinc/68/85/47/637688547.db2.gz DCLRUWATBJVLPI-UHFFFAOYSA-N 1 0 202.298 1.781 20 5 BDBDRO CSCCCCC[NH2+]CC[N+](=O)[O-] ZINC000905216813 637699223 /nfs/dbraw/zinc/69/92/23/637699223.db2.gz HPYLBWYNNWMCLJ-UHFFFAOYSA-N 1 0 206.311 1.386 20 5 BDBDRO COCCC1(C[NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000905220552 637701449 /nfs/dbraw/zinc/70/14/49/637701449.db2.gz YRRBJMBUYPWBBX-UHFFFAOYSA-N 1 0 244.335 1.840 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000905274344 637732156 /nfs/dbraw/zinc/73/21/56/637732156.db2.gz QLLVPGJKUPJGAZ-LBPRGKRZSA-N 1 0 234.299 1.973 20 5 BDBDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905362542 637788198 /nfs/dbraw/zinc/78/81/98/637788198.db2.gz UYFTXMIRSICIJX-PWSUYJOCSA-N 1 0 238.287 1.365 20 5 BDBDRO Cc1cc(C)cc([C@H](O)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905368097 637789852 /nfs/dbraw/zinc/78/98/52/637789852.db2.gz OJTDHBPWNRBMAE-GFCCVEGCSA-N 1 0 238.287 1.203 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCC1(c2ccccc2)CC1 ZINC000905519051 637842354 /nfs/dbraw/zinc/84/23/54/637842354.db2.gz GABNKQMNMLSOSL-UHFFFAOYSA-N 1 0 234.299 1.975 20 5 BDBDRO C[C@H]1CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905975245 637990191 /nfs/dbraw/zinc/99/01/91/637990191.db2.gz PYNMUXPDVVKSHW-CABZTGNLSA-N 1 0 236.271 1.722 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H](CCCO)c1ccccc1 ZINC000930229276 639643817 /nfs/dbraw/zinc/64/38/17/639643817.db2.gz ZFLOOLANFYMNGK-GFCCVEGCSA-N 1 0 238.287 1.367 20 5 BDBDRO CC1(C)[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000930627463 639830581 /nfs/dbraw/zinc/83/05/81/639830581.db2.gz IELDTIWGQNLSKP-IVZWLZJFSA-N 1 0 228.292 1.056 20 5 BDBDRO CC1(C)[C@H]([NH2+]CC[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000930627464 639830834 /nfs/dbraw/zinc/83/08/34/639830834.db2.gz IELDTIWGQNLSKP-OPRDCNLKSA-N 1 0 228.292 1.056 20 5 BDBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C1(C)C ZINC000930739374 639887955 /nfs/dbraw/zinc/88/79/55/639887955.db2.gz MYADGBZICKWHHJ-VHSXEESVSA-N 1 0 244.335 1.835 20 5 BDBDRO C[C@H]1CN(CC[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000931161097 640082608 /nfs/dbraw/zinc/08/26/08/640082608.db2.gz SFMMXANXVWKLEN-YUMQZZPRSA-N 1 0 222.235 1.486 20 5 BDBDRO C[C@H]1CC(F)(F)CCN1CC[N+](=O)[O-] ZINC000931253827 640115964 /nfs/dbraw/zinc/11/59/64/640115964.db2.gz BYHGHWDRBFHOHX-ZETCQYMHSA-N 1 0 208.208 1.383 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000931562190 640275251 /nfs/dbraw/zinc/27/52/51/640275251.db2.gz ARNRRLFIRUVKPN-SNVBAGLBSA-N 1 0 228.292 1.345 20 5 BDBDRO CC[C@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000931767428 640359721 /nfs/dbraw/zinc/35/97/21/640359721.db2.gz QJVJLYHEKDOMFF-MRVPVSSYSA-N 1 0 242.250 1.594 20 5 BDBDRO CC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773224 641377961 /nfs/dbraw/zinc/37/79/61/641377961.db2.gz CQCJXSPTHJJNDX-VIFPVBQESA-N 1 0 242.250 1.594 20 5 BDBDRO C[C@@H]1CCC[C@H](C)[N@H+](CC[N+](=O)[O-])C1 ZINC000929706257 641410591 /nfs/dbraw/zinc/41/05/91/641410591.db2.gz ZYJGZNVVWUZCKO-ZJUUUORDSA-N 1 0 200.282 1.774 20 5 BDBDRO [NH3+]C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000050249533 643665063 /nfs/dbraw/zinc/66/50/63/643665063.db2.gz HQYPGWIZUJDDMQ-QMMMGPOBSA-N 1 0 239.250 1.519 20 5 BDBDRO [NH3+]C[C@H]1CCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000089092179 644534191 /nfs/dbraw/zinc/53/41/91/644534191.db2.gz NBETWDAKYLDQDC-BDAKNGLRSA-N 1 0 236.275 1.529 20 5 BDBDRO O=[N+]([O-])CC[N@H+](CCc1ccccc1)C1CC1 ZINC000929368246 646100535 /nfs/dbraw/zinc/10/05/35/646100535.db2.gz HUZFMVGPMRWLRH-UHFFFAOYSA-N 1 0 234.299 1.970 20 5 BDBDRO CO[C@]1(C)C[C@@H]([N@H+](C)CC[N+](=O)[O-])C1(C)C ZINC000929758204 646291759 /nfs/dbraw/zinc/29/17/59/646291759.db2.gz XPHCEIRBPYKZPS-MWLCHTKSSA-N 1 0 230.308 1.399 20 5 BDBDRO C[N@H+](CCC1CCOCC1)CC[N+](=O)[O-] ZINC000929827901 646343092 /nfs/dbraw/zinc/34/30/92/646343092.db2.gz XGXRTVONLPHOBV-UHFFFAOYSA-N 1 0 216.281 1.012 20 5 BDBDRO C[C@@H](N[C@@H](C)C1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000925824632 646496262 /nfs/dbraw/zinc/49/62/62/646496262.db2.gz BXKHJHYZGMKUDE-ZJUUUORDSA-N 1 0 249.314 1.853 20 5 BDBDRO C[C@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000160059914 711805456 /nfs/dbraw/zinc/80/54/56/711805456.db2.gz VBUYDXUZBCBYAK-QMMMGPOBSA-N 1 0 247.258 1.254 20 5 BDBDRO CCCNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000052926123 711942068 /nfs/dbraw/zinc/94/20/68/711942068.db2.gz VAUUFZJRYIPJBV-UHFFFAOYSA-N 1 0 236.275 1.619 20 5 BDBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000712596168 712435845 /nfs/dbraw/zinc/43/58/45/712435845.db2.gz UJSDJODLEPFTRT-VIFPVBQESA-N 1 0 236.275 1.496 20 5 BDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000715141813 712512096 /nfs/dbraw/zinc/51/20/96/712512096.db2.gz PBOIVWTZTJNRPK-WAAGHKOSSA-N 1 0 249.270 1.062 20 5 BDBDRO Cc1ccc(C[NH2+][C@]23C[C@H]2COC3)cc1[N+](=O)[O-] ZINC000718044512 712738372 /nfs/dbraw/zinc/73/83/72/712738372.db2.gz 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1.181 20 5 BDBDRO CC(C)(C)[C@H](CO)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977443 969294564 /nfs/dbraw/zinc/29/45/64/969294564.db2.gz JVTGUDATNDLQCS-DCAQKATOSA-N 1 0 244.335 1.428 20 5 BDBDRO NC1=C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC=C1 ZINC001168984746 969300242 /nfs/dbraw/zinc/30/02/42/969300242.db2.gz AENHBQFHIVLGTN-KOLCDFICSA-N 1 0 223.276 1.104 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC001168957967 969306995 /nfs/dbraw/zinc/30/69/95/969306995.db2.gz KAULWPLZZWZKRO-JGVFFNPUSA-N 1 0 234.246 1.819 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CC(F)C2)C1 ZINC001168956937 969308049 /nfs/dbraw/zinc/30/80/49/969308049.db2.gz CVTZFIRIHZQCSZ-QGVKSAJWSA-N 1 0 216.256 1.522 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCO2)C1 ZINC001168959437 969309649 /nfs/dbraw/zinc/30/96/49/969309649.db2.gz WDZPDUIJKHVISP-MXWKQRLJSA-N 1 0 228.292 1.200 20 5 BDBDRO CC(C)(CO)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958820 969309787 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COCC[N@H+](C(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026770 969363811 /nfs/dbraw/zinc/36/38/11/969363811.db2.gz NWFFABLOELPQHC-VXGBXAGGSA-N 1 0 244.335 1.789 20 5 BDBDRO CC(C)OC1C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169050010 969368199 /nfs/dbraw/zinc/36/81/99/969368199.db2.gz XWJPEBOQUCMPSM-MNOVXSKESA-N 1 0 242.319 1.541 20 5 BDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1[NH3+] ZINC001254540396 969737522 /nfs/dbraw/zinc/73/75/22/969737522.db2.gz STNAGYWQDGMSCN-JMJZKYOTSA-N 1 0 235.287 1.215 20 5 BDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC(C)([NH3+])C1 ZINC001254546927 969737570 /nfs/dbraw/zinc/73/75/70/969737570.db2.gz ACKACJUTUQJVAW-JTQLQIEISA-N 1 0 249.314 1.559 20 5 BDBDRO CN(C)CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566454 969742250 /nfs/dbraw/zinc/74/22/50/969742250.db2.gz KFLIIYYQUYDCPP-GFCCVEGCSA-N 1 0 249.314 1.213 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC=CC1)C2 ZINC001254599705 969744939 /nfs/dbraw/zinc/74/49/39/969744939.db2.gz PCULSALKRVTAAS-CYBMUJFWSA-N 1 0 230.267 1.934 20 5 BDBDRO CN(c1cnc(F)c([N+](=O)[O-])c1)C(C)(C)C[NH3+] ZINC001170059460 970112149 /nfs/dbraw/zinc/11/21/49/970112149.db2.gz KYQBYNXGUJBBFV-UHFFFAOYSA-N 1 0 242.254 1.302 20 5 BDBDRO C[N@@H+]1CC[C@H](OCc2ccccc2[N+](=O)[O-])C1 ZINC001222764192 972686591 /nfs/dbraw/zinc/68/65/91/972686591.db2.gz TZEUQSRNEBBHOB-NSHDSACASA-N 1 0 236.271 1.816 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCc1cn2ccccc2n1 ZINC001222892027 972724737 /nfs/dbraw/zinc/72/47/37/972724737.db2.gz JOGSRHIAXINRAG-GFCCVEGCSA-N 1 0 248.350 1.946 20 5 BDBDRO CNc1cc([N+](=O)[O-])cnc1NCC(C)(C)[NH3+] ZINC001171191364 972837774 /nfs/dbraw/zinc/83/77/74/972837774.db2.gz RBBPNFBUKYGDDV-UHFFFAOYSA-N 1 0 239.279 1.181 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCc1cncnc1 ZINC001223218111 972888128 /nfs/dbraw/zinc/88/81/28/972888128.db2.gz VMIJMPPGJQLDNY-JTQLQIEISA-N 1 0 210.301 1.088 20 5 BDBDRO Cc1cnc(CO[C@H](C)C[N+](C)(C)C)cn1 ZINC001223361561 973026327 /nfs/dbraw/zinc/02/63/27/973026327.db2.gz SSSFDUIPZOJLTB-LLVKDONJSA-N 1 0 224.328 1.396 20 5 BDBDRO Cc1ncc(CO[C@@H](C)C[N+](C)(C)C)cn1 ZINC001223508660 973118355 /nfs/dbraw/zinc/11/83/55/973118355.db2.gz MSADAOBFBRJKHF-JTQLQIEISA-N 1 0 224.328 1.396 20 5 BDBDRO COCCCCO[C@H](C)C[N+](C)(C)C ZINC001224318472 973551588 /nfs/dbraw/zinc/55/15/88/973551588.db2.gz XXPLCSJUZWPYOA-LLVKDONJSA-N 1 0 204.334 1.524 20 5 BDBDRO C[NH+]1CCC(CO[C@H](C[N+](=O)[O-])C2CC2)CC1 ZINC001224454207 973659673 /nfs/dbraw/zinc/65/96/73/973659673.db2.gz OUTIPMFPNLCBKZ-GFCCVEGCSA-N 1 0 242.319 1.400 20 5 BDBDRO CCCOC(=O)[C@@H](C)OCCC[N+](C)(C)C ZINC001224620773 973802022 /nfs/dbraw/zinc/80/20/22/973802022.db2.gz BCLDBFRPHHWKJW-LLVKDONJSA-N 1 0 232.344 1.441 20 5 BDBDRO CCOC(=O)[C@H](C)OCCC[N+](C)(C)C ZINC001224619818 973802244 /nfs/dbraw/zinc/80/22/44/973802244.db2.gz RLSLQRPVNXXUPM-JTQLQIEISA-N 1 0 218.317 1.051 20 5 BDBDRO CCOC(=O)CC1CC(OCC[N+](C)(C)C)C1 ZINC001224771681 973935686 /nfs/dbraw/zinc/93/56/86/973935686.db2.gz QQUBTZXNRMWXHH-UHFFFAOYSA-N 1 0 244.355 1.441 20 5 BDBDRO CCOC(=O)[C@H](CC)OCC[N+](C)(C)C ZINC001224772678 973936572 /nfs/dbraw/zinc/93/65/72/973936572.db2.gz BNVYYASEDFJSMO-JTQLQIEISA-N 1 0 218.317 1.051 20 5 BDBDRO COC(=O)C1(C)CC(OCC[N+](C)(C)C)C1 ZINC001224774420 973941065 /nfs/dbraw/zinc/94/10/65/973941065.db2.gz RYOUIGXIAIWPEE-UHFFFAOYSA-N 1 0 230.328 1.051 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccnc1[N+](=O)[O-] ZINC001225630512 974606980 /nfs/dbraw/zinc/60/69/80/974606980.db2.gz ZFKXBPHEKUZMRY-VIFPVBQESA-N 1 0 240.283 1.463 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cccn2ccnc12 ZINC001226214067 974829209 /nfs/dbraw/zinc/82/92/09/974829209.db2.gz XSZJAQYCOBEBRS-LLVKDONJSA-N 1 0 234.323 1.808 20 5 BDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCO ZINC001173213600 975076807 /nfs/dbraw/zinc/07/68/07/975076807.db2.gz GNFIFSQRXDHUCR-JTQLQIEISA-N 1 0 238.287 1.498 20 5 BDBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)n(C)n1 ZINC001226836804 975111252 /nfs/dbraw/zinc/11/12/52/975111252.db2.gz UORWRGWSBJLXQQ-JTQLQIEISA-N 1 0 212.317 1.202 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cncc(F)c1 ZINC001226840002 975115297 /nfs/dbraw/zinc/11/52/97/975115297.db2.gz OVKHQTFAEWFOGR-SECBINFHSA-N 1 0 213.276 1.694 20 5 BDBDRO C[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001332850351 975296441 /nfs/dbraw/zinc/29/64/41/975296441.db2.gz XRIRPGHQSMSTST-GMTAPVOTSA-N 1 0 212.293 1.774 20 5 BDBDRO COCC[N@H+](CC[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC001332980984 975352306 /nfs/dbraw/zinc/35/23/06/975352306.db2.gz OVESKXKKTZVXSH-QWRGUYRKSA-N 1 0 230.308 1.400 20 5 BDBDRO C[C@@H](C[NH+](C)C)Oc1ccccc1[N+](=O)[O-] ZINC001227481658 975463008 /nfs/dbraw/zinc/46/30/08/975463008.db2.gz XOJCNOZJWYBDRJ-VIFPVBQESA-N 1 0 224.260 1.924 20 5 BDBDRO COC(=O)CCCO[C@@H](C)C[N+](C)(C)C ZINC001206215379 975552679 /nfs/dbraw/zinc/55/26/79/975552679.db2.gz CONZTTVOPOSVET-JTQLQIEISA-N 1 0 218.317 1.051 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cn2ccccc2n1 ZINC001227949266 975810671 /nfs/dbraw/zinc/81/06/71/975810671.db2.gz NXWIVGVVTMSVBW-NSHDSACASA-N 1 0 234.323 1.808 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc(=S)[nH]1 ZINC001228128625 975922122 /nfs/dbraw/zinc/92/21/22/975922122.db2.gz MRRVQMPVJUHFRR-QMMMGPOBSA-O 1 0 228.341 1.239 20 5 BDBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)nc(C)n1 ZINC001228143577 975941662 /nfs/dbraw/zinc/94/16/62/975941662.db2.gz JQSSNCBKAMPJDX-SNVBAGLBSA-N 1 0 224.328 1.567 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC(c2ccncc2)CC1 ZINC001334201591 976371236 /nfs/dbraw/zinc/37/12/36/976371236.db2.gz MDDPVISMIZHFAY-UHFFFAOYSA-N 1 0 235.287 1.538 20 5 BDBDRO CCOc1cccnc1O[C@@H](C)C[N+](C)(C)C ZINC001229155478 976775484 /nfs/dbraw/zinc/77/54/84/976775484.db2.gz SDERYAZHFJMCQQ-NSHDSACASA-N 1 0 239.339 1.954 20 5 BDBDRO C[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229398679 976861545 /nfs/dbraw/zinc/86/15/45/976861545.db2.gz YBKKXYRDLLDMJX-VIFPVBQESA-N 1 0 238.243 1.383 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)NC(=O)C2 ZINC001230948042 977392754 /nfs/dbraw/zinc/39/27/54/977392754.db2.gz UNMFDOQRLICKSB-JTQLQIEISA-O 1 0 249.334 1.655 20 5 BDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2C=CCC2)c1 ZINC001336771331 977942640 /nfs/dbraw/zinc/94/26/40/977942640.db2.gz RANDUCRKWQIXMX-YPMHNXCESA-N 1 0 248.282 1.936 20 5 BDBDRO C[NH+](C)CCCNc1ccnc(F)c1[N+](=O)[O-] ZINC001337699146 978463142 /nfs/dbraw/zinc/46/31/42/978463142.db2.gz YXWDDGSHCBAVEB-UHFFFAOYSA-N 1 0 242.254 1.493 20 5 BDBDRO COc1cnc(F)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234274372 978809505 /nfs/dbraw/zinc/80/95/05/978809505.db2.gz ZCICBEWXZZHOSX-SECBINFHSA-N 1 0 243.302 1.703 20 5 BDBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC[N+](=O)[O-])C1 ZINC001341323725 979335198 /nfs/dbraw/zinc/33/51/98/979335198.db2.gz RZXAWORGVBSWOA-BBBLOLIVSA-N 1 0 200.282 1.630 20 5 BDBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC001345019428 980523474 /nfs/dbraw/zinc/52/34/74/980523474.db2.gz RIOROXOXWUECJC-VHSXEESVSA-N 1 0 244.291 1.068 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC001351184476 982228844 /nfs/dbraw/zinc/22/88/44/982228844.db2.gz XCGJNZKZKPFVQY-NSHDSACASA-N 1 0 228.292 1.154 20 5 BDBDRO CC[C@H](COCC1CC1)[NH2+]CC[N+](=O)[O-] ZINC001353326308 982837432 /nfs/dbraw/zinc/83/74/32/982837432.db2.gz WQFCZLXQSYHPRG-SNVBAGLBSA-N 1 0 216.281 1.058 20 5 BDBDRO Cc1[nH+]cn(-c2cc(O)cc([N+](=O)[O-])c2)c1N ZINC001199819301 983018275 /nfs/dbraw/zinc/01/82/75/983018275.db2.gz PGEKVYCVJOGJBO-UHFFFAOYSA-N 1 0 234.215 1.377 20 5 BDBDRO C[C@@H]1CCNC[C@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246102517 987430720 /nfs/dbraw/zinc/43/07/20/987430720.db2.gz PQCHOEPQKSYVSV-WISYIIOYSA-N 1 0 241.335 1.019 20 5 BDBDRO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001559839769 991280433 /nfs/dbraw/zinc/28/04/33/991280433.db2.gz MZYUUENDDGGTCN-CABZTGNLSA-N 1 0 236.271 1.550 20 5 BDBDRO Cc1cc(N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000271758370 178112704 /nfs/dbraw/zinc/11/27/04/178112704.db2.gz XXSMWLIUZLVGAL-UHFFFAOYSA-N 1 0 235.287 1.653 20 5 BDBDRO Cc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000235666810 178122443 /nfs/dbraw/zinc/12/24/43/178122443.db2.gz XONBTKGWOXRNJP-IUCAKERBSA-N 1 0 236.275 1.082 20 5 BDBDRO CN1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037248569 361777054 /nfs/dbraw/zinc/77/70/54/361777054.db2.gz JVHVGAASBFXUSS-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO CC1(C)[C@H](NCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000404785856 361865909 /nfs/dbraw/zinc/86/59/09/361865909.db2.gz POVAZFYZRZIXJR-NWDGAFQWSA-N 1 0 249.314 1.810 20 5 BDBDRO C[C@@H]([NH2+]CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020083730 398304080 /nfs/dbraw/zinc/30/40/80/398304080.db2.gz VTWZRUCHBMDZRH-SNVBAGLBSA-N 1 0 237.303 1.807 20 5 BDBDRO C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000521993110 398306740 /nfs/dbraw/zinc/30/67/40/398306740.db2.gz CZPMIKDNXWWQOO-NXEZZACHSA-N 1 0 237.303 1.810 20 5 BDBDRO C[C@@H]([NH2+]CCCO)c1cccc([N+](=O)[O-])c1 ZINC000020188634 398315833 /nfs/dbraw/zinc/31/58/33/398315833.db2.gz XZHFRVODOVMDOU-SECBINFHSA-N 1 0 224.260 1.628 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC(C)C ZINC000602770278 349725110 /nfs/dbraw/zinc/72/51/10/349725110.db2.gz YHKUFXGPUZJFGV-UHFFFAOYSA-N 1 0 240.307 1.688 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000043474243 343084116 /nfs/dbraw/zinc/08/41/16/343084116.db2.gz BLNZVYAASXNNPC-MRVPVSSYSA-N 1 0 239.250 1.898 20 5 BDBDRO C[NH2+][C@@H](C)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000310866886 343588944 /nfs/dbraw/zinc/58/89/44/343588944.db2.gz RRGXSKWWAZGYQJ-QMMMGPOBSA-N 1 0 247.258 1.456 20 5 BDBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000038088051 343942235 /nfs/dbraw/zinc/94/22/35/343942235.db2.gz RXTBUQYROXYBIK-JTQLQIEISA-N 1 0 237.303 1.635 20 5 BDBDRO C[C@@H](CO)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000610369892 343948954 /nfs/dbraw/zinc/94/89/54/343948954.db2.gz OTIPQPLRADCLGA-SNVBAGLBSA-N 1 0 238.287 1.655 20 5 BDBDRO C[NH+](C)CC1CN(c2ccsc2[N+](=O)[O-])C1 ZINC000601170655 344604602 /nfs/dbraw/zinc/60/46/02/344604602.db2.gz SQNHTOXBRNLBFX-UHFFFAOYSA-N 1 0 241.316 1.654 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)C1 ZINC000611468480 344744841 /nfs/dbraw/zinc/74/48/41/344744841.db2.gz RVRQNLFOMBBXEY-SECBINFHSA-N 1 0 238.291 1.442 20 5 BDBDRO Cc1ccc(N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000052093885 178777922 /nfs/dbraw/zinc/77/79/22/178777922.db2.gz BVENHEOFONMXBY-VIFPVBQESA-N 1 0 221.260 1.677 20 5 BDBDRO Cc1ccc(CN2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000092456936 345620785 /nfs/dbraw/zinc/62/07/85/345620785.db2.gz SYDYSVHDPYGDFD-LLVKDONJSA-N 1 0 249.314 1.697 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH3+])n1 ZINC000088035912 178929050 /nfs/dbraw/zinc/92/90/50/178929050.db2.gz MIKVBWBXGXWFKO-UHFFFAOYSA-N 1 0 224.264 1.449 20 5 BDBDRO Cc1cccc(N2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000235928028 179122295 /nfs/dbraw/zinc/12/22/95/179122295.db2.gz YIKUGNNLMVZGJW-JTQLQIEISA-N 1 0 235.287 1.688 20 5 BDBDRO C[C@H]([NH3+])CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000591581565 347678731 /nfs/dbraw/zinc/67/87/31/347678731.db2.gz ZFRVFDYOWDPSIJ-ZANVPECISA-N 1 0 249.314 1.909 20 5 BDBDRO O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)[nH]1 ZINC000592357300 347772794 /nfs/dbraw/zinc/77/27/94/347772794.db2.gz VQSIOZWBCLCKDJ-ZCFIWIBFSA-N 1 0 249.230 1.397 20 5 BDBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000594998094 348168565 /nfs/dbraw/zinc/16/85/65/348168565.db2.gz GPRYNZBIBRLIJH-XYPYZODXSA-N 1 0 236.271 1.516 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1C[C@H](O)C1 ZINC000595000341 348168696 /nfs/dbraw/zinc/16/86/96/348168696.db2.gz FMBCUOSSPFMXOZ-LSTVRDIWSA-N 1 0 248.282 1.721 20 5 BDBDRO C[NH2+]C[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000596105251 348440398 /nfs/dbraw/zinc/44/03/98/348440398.db2.gz ILBILIGSHLNDEB-VIFPVBQESA-N 1 0 223.276 1.292 20 5 BDBDRO Cc1ccnc(N[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000070496678 179456141 /nfs/dbraw/zinc/45/61/41/179456141.db2.gz QZLZLRSEFDFYNK-SECBINFHSA-N 1 0 236.275 1.462 20 5 BDBDRO C[C@@H](CCNc1cccnc1[N+](=O)[O-])[NH+](C)C ZINC000596431909 348545409 /nfs/dbraw/zinc/54/54/09/348545409.db2.gz ORLBBUHOFXJNNP-VIFPVBQESA-N 1 0 238.291 1.742 20 5 BDBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000596428634 348530350 /nfs/dbraw/zinc/53/03/50/348530350.db2.gz FXXXRTGGYPBKSD-SECBINFHSA-N 1 0 238.291 1.164 20 5 BDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000599082900 349096134 /nfs/dbraw/zinc/09/61/34/349096134.db2.gz FDIJSJUXOKTHPR-IWIIMEHWSA-N 1 0 247.298 1.591 20 5 BDBDRO Cc1nn(CC[C@@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000396678280 349426029 /nfs/dbraw/zinc/42/60/29/349426029.db2.gz MEAFOQBUVSEUQM-JTQLQIEISA-N 1 0 238.291 1.408 20 5 BDBDRO Cc1nc(NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000161517695 180019077 /nfs/dbraw/zinc/01/90/77/180019077.db2.gz WZDLKKFJAKREEJ-QMMMGPOBSA-N 1 0 238.291 1.660 20 5 BDBDRO Cc1nc(N[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124104580 180025008 /nfs/dbraw/zinc/02/50/08/180025008.db2.gz HXCVLHKRCKJFNI-QMMMGPOBSA-N 1 0 222.248 1.072 20 5 BDBDRO CCN(CC[NH3+])Cc1cccc([N+](=O)[O-])c1C ZINC000305914530 350099282 /nfs/dbraw/zinc/09/92/82/350099282.db2.gz AQBJUWRKGFNRIW-UHFFFAOYSA-N 1 0 237.303 1.684 20 5 BDBDRO Cc1nn(CC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000331334530 180388598 /nfs/dbraw/zinc/38/85/98/180388598.db2.gz PSZNSYKOZPAUBU-SNVBAGLBSA-N 1 0 238.291 1.584 20 5 BDBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000129015136 350961177 /nfs/dbraw/zinc/96/11/77/350961177.db2.gz SEEPCEUODUGQAX-JQWIXIFHSA-N 1 0 249.314 1.906 20 5 BDBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000129014540 350961232 /nfs/dbraw/zinc/96/12/32/350961232.db2.gz SEEPCEUODUGQAX-ZYHUDNBSSA-N 1 0 249.314 1.906 20 5 BDBDRO O=[N+]([O-])c1cccc(OCC[C@H]2CC[NH2+]C2)c1 ZINC000122469139 363021618 /nfs/dbraw/zinc/02/16/18/363021618.db2.gz ZUWMSDAGFJYWSH-SNVBAGLBSA-N 1 0 236.271 1.973 20 5 BDBDRO Cc1c(CNC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000231883810 351434731 /nfs/dbraw/zinc/43/47/31/351434731.db2.gz PWAUPVWPNBXFES-UHFFFAOYSA-N 1 0 249.314 1.745 20 5 BDBDRO C[C@@H](O)[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000386852870 363052332 /nfs/dbraw/zinc/05/23/32/363052332.db2.gz DBYZRLCBJBDSFB-NXEZZACHSA-N 1 0 238.287 1.496 20 5 BDBDRO C[NH+](C)CCCNc1ncc([N+](=O)[O-])s1 ZINC000189681184 353311385 /nfs/dbraw/zinc/31/13/85/353311385.db2.gz BQVLPQHVKAOQBE-UHFFFAOYSA-N 1 0 230.293 1.415 20 5 BDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCCC2)c1 ZINC000062351288 188303196 /nfs/dbraw/zinc/30/31/96/188303196.db2.gz SBBQLVKQWHPQGY-GFCCVEGCSA-N 1 0 236.271 1.724 20 5 BDBDRO C[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035115411 355828660 /nfs/dbraw/zinc/82/86/60/355828660.db2.gz NHQNKNHXBZGXPA-IUCAKERBSA-N 1 0 224.260 1.626 20 5 BDBDRO C[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000580358816 356432062 /nfs/dbraw/zinc/43/20/62/356432062.db2.gz MSKPEVKYXUETKL-VIFPVBQESA-N 1 0 236.275 1.130 20 5 BDBDRO C[C@H](CC[NH+](C)C)Nc1ccncc1[N+](=O)[O-] ZINC000049558716 356482265 /nfs/dbraw/zinc/48/22/65/356482265.db2.gz ZRJSEUYVJLYPPE-SECBINFHSA-N 1 0 238.291 1.742 20 5 BDBDRO CC1(C)C[C@H](NCC[NH3+])c2cc([N+](=O)[O-])ccc21 ZINC000423175440 192608682 /nfs/dbraw/zinc/60/86/82/192608682.db2.gz ALDWTEXTMJWZIE-LBPRGKRZSA-N 1 0 249.314 1.866 20 5 BDBDRO C[C@H]1[C@@H]([NH3+])CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000385176520 356918064 /nfs/dbraw/zinc/91/80/64/356918064.db2.gz ZQYMINQLYWGXPZ-GWCFXTLKSA-N 1 0 249.314 1.559 20 5 BDBDRO C[C@H](CNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000037988022 357021192 /nfs/dbraw/zinc/02/11/92/357021192.db2.gz FOEOWLNFUMLSKM-SECBINFHSA-N 1 0 223.276 1.957 20 5 BDBDRO C[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035602258 358002471 /nfs/dbraw/zinc/00/24/71/358002471.db2.gz CALNQSQJIUGOOX-BDAKNGLRSA-N 1 0 224.260 1.626 20 5 BDBDRO C[C@H](CC(N)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000160802432 358709577 /nfs/dbraw/zinc/70/95/77/358709577.db2.gz FYRZXIALDZNAHS-ZCFIWIBFSA-N 1 0 243.288 1.010 20 5 BDBDRO CC1(C)CN(c2ccc([N+](=O)[O-])nc2)CC[NH2+]1 ZINC000212804417 359330557 /nfs/dbraw/zinc/33/05/57/359330557.db2.gz WNIHZRIROJJJPP-UHFFFAOYSA-N 1 0 236.275 1.178 20 5 BDBDRO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000424316569 200908294 /nfs/dbraw/zinc/90/82/94/200908294.db2.gz NDMYXFAXRRECOQ-XXILOJSOSA-N 1 0 236.271 1.769 20 5 BDBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000342126811 181332714 /nfs/dbraw/zinc/33/27/14/181332714.db2.gz JRCNOYLCFPTQIB-UHFFFAOYSA-N 1 0 235.287 1.566 20 5 BDBDRO [NH3+]C1(CNc2ccc([N+](=O)[O-])cn2)CCC1 ZINC000236189764 181332964 /nfs/dbraw/zinc/33/29/64/181332964.db2.gz MLRFLZHMQVUART-UHFFFAOYSA-N 1 0 222.248 1.283 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2O)cc1 ZINC000037690265 364525189 /nfs/dbraw/zinc/52/51/89/364525189.db2.gz WWIDOUAELGFRGW-NEPJUHHUSA-N 1 0 236.271 1.598 20 5 BDBDRO [NH3+]CCCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000027719768 181377398 /nfs/dbraw/zinc/37/73/98/181377398.db2.gz DFAVLHWHASUGGY-UHFFFAOYSA-N 1 0 237.259 1.064 20 5 BDBDRO C[C@@H]([NH3+])Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000581487053 367517779 /nfs/dbraw/zinc/51/77/79/367517779.db2.gz QLQLRGCIPSFMIE-MRVPVSSYSA-N 1 0 247.254 1.257 20 5 BDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107578978 369353808 /nfs/dbraw/zinc/35/38/08/369353808.db2.gz BQBPJBZVIHMZBX-RYUDHWBXSA-N 1 0 247.298 1.246 20 5 BDBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401953450 369375583 /nfs/dbraw/zinc/37/55/83/369375583.db2.gz WENJHRWEMBZNBP-MWLCHTKSSA-N 1 0 236.271 1.862 20 5 BDBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CO1 ZINC000401952632 369375610 /nfs/dbraw/zinc/37/56/10/369375610.db2.gz VVUCSGPXUWRNEQ-MWLCHTKSSA-N 1 0 236.271 1.862 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000094663424 369876567 /nfs/dbraw/zinc/87/65/67/369876567.db2.gz FXPQDKMIWGXQIX-GHMZBOCLSA-N 1 0 247.298 1.559 20 5 BDBDRO CC(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000020525203 371289680 /nfs/dbraw/zinc/28/96/80/371289680.db2.gz FSFWIEYKZYDEAJ-UHFFFAOYSA-N 1 0 224.260 1.972 20 5 BDBDRO [NH3+][C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000041028129 181643438 /nfs/dbraw/zinc/64/34/38/181643438.db2.gz MBLBTZHMECZBJS-JTQLQIEISA-N 1 0 249.270 1.158 20 5 BDBDRO Cc1c(CN2C[C@@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000601329147 371747386 /nfs/dbraw/zinc/74/73/86/371747386.db2.gz FXORINNROLLVQQ-CABZTGNLSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000601330403 371749172 /nfs/dbraw/zinc/74/91/72/371749172.db2.gz SUCJDYBOECYSHY-GXSJLCMTSA-N 1 0 235.287 1.516 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1OCC1C[NH2+]C1 ZINC000304398164 371785582 /nfs/dbraw/zinc/78/55/82/371785582.db2.gz AJJBCUQKXIPGJR-UHFFFAOYSA-N 1 0 222.244 1.501 20 5 BDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000603090735 371868219 /nfs/dbraw/zinc/86/82/19/371868219.db2.gz ROFOZHYNWNPQBY-JQWIXIFHSA-N 1 0 234.255 1.161 20 5 BDBDRO C[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602758212 371838083 /nfs/dbraw/zinc/83/80/83/371838083.db2.gz DQUWWFIXZLMFTP-SECBINFHSA-N 1 0 238.291 1.703 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CC1 ZINC000602754542 371838219 /nfs/dbraw/zinc/83/82/19/371838219.db2.gz NPLHWCKLKDRBCU-UHFFFAOYSA-N 1 0 224.264 1.194 20 5 BDBDRO CCS[C@H]1CCCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791051738 583383898 /nfs/dbraw/zinc/38/38/98/583383898.db2.gz ICCKZFWUROVNRX-JTQLQIEISA-N 1 0 232.349 1.871 20 5 BDBDRO Cn1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000041158984 374116643 /nfs/dbraw/zinc/11/66/43/374116643.db2.gz PJKNGUCUEKLVBU-UHFFFAOYSA-N 1 0 246.270 1.618 20 5 BDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000174860849 374269640 /nfs/dbraw/zinc/26/96/40/374269640.db2.gz ACYZNXDXIGPHFI-SECBINFHSA-N 1 0 240.307 1.816 20 5 BDBDRO CCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269653016 169077395 /nfs/dbraw/zinc/07/73/95/169077395.db2.gz NAOJTJIUUZQDIB-GFCCVEGCSA-N 1 0 238.287 1.970 20 5 BDBDRO CCC[NH+](CCC)CCn1ccc([N+](=O)[O-])n1 ZINC000176205096 169147018 /nfs/dbraw/zinc/14/70/18/169147018.db2.gz JKKWXYBSTVINLO-UHFFFAOYSA-N 1 0 240.307 1.913 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000050015793 383888550 /nfs/dbraw/zinc/88/85/50/383888550.db2.gz KIJRJZWBTILLGU-JQWIXIFHSA-N 1 0 236.271 1.598 20 5 BDBDRO CN(CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000050104662 383905874 /nfs/dbraw/zinc/90/58/74/383905874.db2.gz GDOAVRJTMARKGS-UHFFFAOYSA-N 1 0 244.678 1.672 20 5 BDBDRO C[NH+](C)CCCNCc1csc([N+](=O)[O-])c1 ZINC000037472325 383981714 /nfs/dbraw/zinc/98/17/14/383981714.db2.gz AGRQXKAZWBTIFW-UHFFFAOYSA-N 1 0 243.332 1.698 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CCC2)cs1 ZINC000157497171 384015080 /nfs/dbraw/zinc/01/50/80/384015080.db2.gz DPNNCGHVKMALME-UHFFFAOYSA-N 1 0 242.300 1.661 20 5 BDBDRO [NH3+][C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000050228028 384169558 /nfs/dbraw/zinc/16/95/58/384169558.db2.gz JSZLKMVSKZYBKD-QMMMGPOBSA-N 1 0 227.289 1.189 20 5 BDBDRO C[C@@H](C[NH3+])NCc1ccccc1[N+](=O)[O-] ZINC000235139270 384203422 /nfs/dbraw/zinc/20/34/22/384203422.db2.gz FCTTUFIVASHQNU-QMMMGPOBSA-N 1 0 209.249 1.032 20 5 BDBDRO C[C@]1(O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000178015828 384194946 /nfs/dbraw/zinc/19/49/46/384194946.db2.gz RSSCOLPPUFMHMZ-LBPRGKRZSA-N 1 0 236.271 1.552 20 5 BDBDRO CSCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000120123276 384443156 /nfs/dbraw/zinc/44/31/56/384443156.db2.gz PCHHWMMXVSBRHA-UHFFFAOYSA-N 1 0 244.320 1.086 20 5 BDBDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422949404 384487339 /nfs/dbraw/zinc/48/73/39/384487339.db2.gz UBAPSJIBMMPPFF-ZYHUDNBSSA-N 1 0 249.314 1.682 20 5 BDBDRO C[N@H+](CCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000299303404 384512880 /nfs/dbraw/zinc/51/28/80/384512880.db2.gz ZAMDTPNAERKQSW-UHFFFAOYSA-N 1 0 224.260 1.409 20 5 BDBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000020474733 384640000 /nfs/dbraw/zinc/64/00/00/384640000.db2.gz LXJMYIRYWGPGOC-UHFFFAOYSA-N 1 0 227.239 1.707 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000071300347 384807997 /nfs/dbraw/zinc/80/79/97/384807997.db2.gz HNFISTIYMLUPBN-GFCCVEGCSA-N 1 0 236.271 1.455 20 5 BDBDRO CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071309388 384809103 /nfs/dbraw/zinc/80/91/03/384809103.db2.gz IVKSROQDTHJEHJ-LLVKDONJSA-N 1 0 235.287 1.389 20 5 BDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000147890891 384862075 /nfs/dbraw/zinc/86/20/75/384862075.db2.gz QJPAJWOZOZLESN-JTQLQIEISA-N 1 0 249.270 1.029 20 5 BDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000236052219 385024400 /nfs/dbraw/zinc/02/44/00/385024400.db2.gz UANIATGFKNCUEJ-LURJTMIESA-N 1 0 242.666 1.417 20 5 BDBDRO [NH3+][C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000236307842 385103814 /nfs/dbraw/zinc/10/38/14/385103814.db2.gz NPSZOZDTWMKZBX-ZCFIWIBFSA-N 1 0 242.666 1.181 20 5 BDBDRO C[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000353602853 385238136 /nfs/dbraw/zinc/23/81/36/385238136.db2.gz FILXQKOAYPNTEP-NSHDSACASA-N 1 0 249.314 1.731 20 5 BDBDRO C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292167701 385614616 /nfs/dbraw/zinc/61/46/16/385614616.db2.gz PGJRHIDQDRRFLY-SECBINFHSA-N 1 0 238.287 1.800 20 5 BDBDRO CC(C)([NH2+]CCO)c1ccccc1[N+](=O)[O-] ZINC000292247428 385631188 /nfs/dbraw/zinc/63/11/88/385631188.db2.gz XIEGWUAKQOIPIT-UHFFFAOYSA-N 1 0 224.260 1.412 20 5 BDBDRO C[N@H+](CCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282529533 385768590 /nfs/dbraw/zinc/76/85/90/385768590.db2.gz QGXIUKNGODZAMF-UHFFFAOYSA-N 1 0 242.250 1.548 20 5 BDBDRO C[C@@H](CO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000086624251 386086666 /nfs/dbraw/zinc/08/66/66/386086666.db2.gz IQVDQVZOUDOEIE-NXEZZACHSA-N 1 0 238.287 1.874 20 5 BDBDRO [NH3+]C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000087383778 386197963 /nfs/dbraw/zinc/19/79/63/386197963.db2.gz BRYNQDOFRRPTFX-NSHDSACASA-N 1 0 249.270 1.062 20 5 BDBDRO [NH3+]C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000087383779 386198138 /nfs/dbraw/zinc/19/81/38/386198138.db2.gz BRYNQDOFRRPTFX-LLVKDONJSA-N 1 0 249.270 1.062 20 5 BDBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000035149283 386465503 /nfs/dbraw/zinc/46/55/03/386465503.db2.gz BDYUBJBRMAUCNX-YUMQZZPRSA-N 1 0 237.259 1.119 20 5 BDBDRO [NH3+]C[C@H](NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414811061 386634950 /nfs/dbraw/zinc/63/49/50/386634950.db2.gz WACBEUPUMBZIJP-LBPRGKRZSA-N 1 0 235.287 1.422 20 5 BDBDRO CC[NH2+]CCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414836379 386739232 /nfs/dbraw/zinc/73/92/32/386739232.db2.gz WEZLQHYZPPKPEE-ALCCZGGFSA-N 1 0 249.314 1.807 20 5 BDBDRO Cc1ccc(CN[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414797350 387070394 /nfs/dbraw/zinc/07/03/94/387070394.db2.gz INSFPTJFDPFXRP-GFCCVEGCSA-N 1 0 249.314 1.730 20 5 BDBDRO CC[N@H+](CCO)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000269475026 387184772 /nfs/dbraw/zinc/18/47/72/387184772.db2.gz VJANDOQFQZVPAO-JTQLQIEISA-N 1 0 238.287 1.970 20 5 BDBDRO C[NH2+]C[C@@H](C)CNCc1cccc([N+](=O)[O-])c1 ZINC000414841457 387304348 /nfs/dbraw/zinc/30/43/48/387304348.db2.gz OITFHYRTUUPUGK-SNVBAGLBSA-N 1 0 237.303 1.540 20 5 BDBDRO C[C@H](CC[NH3+])NCc1ccc([N+](=O)[O-])cc1F ZINC000414894804 387592905 /nfs/dbraw/zinc/59/29/05/387592905.db2.gz LYBORFLYPLXNPE-MRVPVSSYSA-N 1 0 241.266 1.561 20 5 BDBDRO CCC[NH2+]CCNCc1cccc([N+](=O)[O-])c1 ZINC000414866424 387568580 /nfs/dbraw/zinc/56/85/80/387568580.db2.gz FEUWGDKQYDWBCX-UHFFFAOYSA-N 1 0 237.303 1.684 20 5 BDBDRO Cc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414867990 387569075 /nfs/dbraw/zinc/56/90/75/387569075.db2.gz PKNOQEQYHAQRKZ-GFCCVEGCSA-N 1 0 249.314 1.745 20 5 BDBDRO CCOCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000036229545 387887624 /nfs/dbraw/zinc/88/76/24/387887624.db2.gz LHWPEHIEDDOTSG-UHFFFAOYSA-N 1 0 238.287 1.763 20 5 BDBDRO C[C@H]([NH2+][C@@H]1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296824066 388035415 /nfs/dbraw/zinc/03/54/15/388035415.db2.gz VVSIVIFIMDDGQF-GZMMTYOYSA-N 1 0 249.270 1.134 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCCO ZINC000036387816 388042122 /nfs/dbraw/zinc/04/21/22/388042122.db2.gz MZKPWIHTKZUIPX-UHFFFAOYSA-N 1 0 224.260 1.457 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[NH+](C)C)n1 ZINC000162603256 388354077 /nfs/dbraw/zinc/35/40/77/388354077.db2.gz RZTQCWZDGKXBRT-VIFPVBQESA-N 1 0 238.291 1.660 20 5 BDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000122299813 388373665 /nfs/dbraw/zinc/37/36/65/388373665.db2.gz CCLWLVRMFMKIQN-LLVKDONJSA-N 1 0 249.270 1.158 20 5 BDBDRO C[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000122352556 388381428 /nfs/dbraw/zinc/38/14/28/388381428.db2.gz BPPZUOPDGARBGB-MRVPVSSYSA-N 1 0 242.250 1.547 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000133748128 388389591 /nfs/dbraw/zinc/38/95/91/388389591.db2.gz QTLJDUBJWNGNNQ-YUMQZZPRSA-N 1 0 237.259 1.517 20 5 BDBDRO CC(C)(C[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000122909469 388589056 /nfs/dbraw/zinc/58/90/56/388589056.db2.gz PAHZZHGFMFAMAF-UHFFFAOYSA-N 1 0 237.259 1.518 20 5 BDBDRO CC1(C)C[C@@H](NCC[NH3+])c2cc([N+](=O)[O-])ccc21 ZINC000423175439 388688561 /nfs/dbraw/zinc/68/85/61/388688561.db2.gz ALDWTEXTMJWZIE-GFCCVEGCSA-N 1 0 249.314 1.866 20 5 BDBDRO C[NH2+]CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423228526 388690395 /nfs/dbraw/zinc/69/03/95/388690395.db2.gz ZYSHRDWSLWNDJT-VIFPVBQESA-N 1 0 223.276 1.465 20 5 BDBDRO C[C@H](NC[C@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423314165 388691747 /nfs/dbraw/zinc/69/17/47/388691747.db2.gz GRXMENKDCNIPLY-ZANVPECISA-N 1 0 249.314 1.983 20 5 BDBDRO C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000423450199 388692229 /nfs/dbraw/zinc/69/22/29/388692229.db2.gz SQUFZBXVPMJACC-AEJSXWLSSA-N 1 0 237.303 1.981 20 5 BDBDRO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000423433737 388692542 /nfs/dbraw/zinc/69/25/42/388692542.db2.gz NLKKXYILELAHDW-HWNAMQAFSA-N 1 0 247.298 1.463 20 5 BDBDRO C[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424105796 388694300 /nfs/dbraw/zinc/69/43/00/388694300.db2.gz WOKYOSADCTXCGA-XROYCOCOSA-N 1 0 249.270 1.119 20 5 BDBDRO CN(CCC[NH+](C)C)c1ncccc1[N+](=O)[O-] ZINC000301991382 388728017 /nfs/dbraw/zinc/72/80/17/388728017.db2.gz FYPBVLJEAQGQNO-UHFFFAOYSA-N 1 0 238.291 1.378 20 5 BDBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000332420009 388790081 /nfs/dbraw/zinc/79/00/81/388790081.db2.gz BMUJAVTXOHALLM-UHFFFAOYSA-N 1 0 236.271 1.550 20 5 BDBDRO Cc1nc(N2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000124094562 132227875 /nfs/dbraw/zinc/22/78/75/132227875.db2.gz IMPGRAKQWNSMFH-SECBINFHSA-N 1 0 236.275 1.226 20 5 BDBDRO Cc1cc(N2CC[NH2+][C@H](C)C2)ncc1[N+](=O)[O-] ZINC000092026667 132237937 /nfs/dbraw/zinc/23/79/37/132237937.db2.gz YHZMFWHTRUUUHE-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH3+])C2)c1 ZINC000094663253 132238880 /nfs/dbraw/zinc/23/88/80/132238880.db2.gz LVSCQUYTBAZBJU-JTQLQIEISA-N 1 0 235.287 1.831 20 5 BDBDRO [NH3+]C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000020134839 132330224 /nfs/dbraw/zinc/33/02/24/132330224.db2.gz DJAUIMYROANFPO-UHFFFAOYSA-N 1 0 239.250 1.661 20 5 BDBDRO [NH3+]C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000044559727 132354349 /nfs/dbraw/zinc/35/43/49/132354349.db2.gz WBTZPLTZTNRPDA-VIFPVBQESA-N 1 0 236.275 1.307 20 5 BDBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000168672340 134240926 /nfs/dbraw/zinc/24/09/26/134240926.db2.gz ROGMHRVLXSNZPA-CMPLNLGQSA-N 1 0 249.314 1.764 20 5 BDBDRO C[NH2+]C[C@@H](C)CNc1ncc([N+](=O)[O-])s1 ZINC000226783111 134368931 /nfs/dbraw/zinc/36/89/31/134368931.db2.gz JZUKFIUWSMJZDX-ZCFIWIBFSA-N 1 0 230.293 1.319 20 5 BDBDRO COc1ccc([N+](=O)[O-])c(NCCCC[NH3+])c1 ZINC000155792360 134698870 /nfs/dbraw/zinc/69/88/70/134698870.db2.gz HXRNHFQWTHMDIW-UHFFFAOYSA-N 1 0 239.275 1.754 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCOC2)c1 ZINC000070969272 135016096 /nfs/dbraw/zinc/01/60/96/135016096.db2.gz DMSPAMGLMXXEPH-SNVBAGLBSA-N 1 0 222.244 1.473 20 5 BDBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261532675 135163599 /nfs/dbraw/zinc/16/35/99/135163599.db2.gz CAPXKFAVKITMGB-RKDXNWHRSA-N 1 0 221.260 1.378 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261551442 135190840 /nfs/dbraw/zinc/19/08/40/135190840.db2.gz VEUXLFKUQWFQIN-GBIKHYSHSA-N 1 0 249.314 1.935 20 5 BDBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@@H]12 ZINC000261564344 135205745 /nfs/dbraw/zinc/20/57/45/135205745.db2.gz HGZQPXPVTOINFE-JMJZKYOTSA-N 1 0 248.286 1.163 20 5 BDBDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1csc([N+](=O)[O-])c1 ZINC000261570122 135212255 /nfs/dbraw/zinc/21/22/55/135212255.db2.gz GRFSDKQIGHATBO-VXNVDRBHSA-N 1 0 241.316 1.578 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261572176 135213780 /nfs/dbraw/zinc/21/37/80/135213780.db2.gz LMTPDEYXUUKEBN-MNOVXSKESA-N 1 0 247.298 1.641 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261582240 135223160 /nfs/dbraw/zinc/22/31/60/135223160.db2.gz RBBPGUUOWBJZKL-VHSXEESVSA-N 1 0 248.286 1.036 20 5 BDBDRO C[C@@H]([NH3+])[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000261590932 135231807 /nfs/dbraw/zinc/23/18/07/135231807.db2.gz UWASHDXBFVUCTD-RQJHMYQMSA-N 1 0 227.239 1.882 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH3+])C1 ZINC000346644181 135949096 /nfs/dbraw/zinc/94/90/96/135949096.db2.gz LULZECKFJYPBAQ-NSHDSACASA-N 1 0 235.287 1.436 20 5 BDBDRO COc1ccc(CN[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414946218 398026434 /nfs/dbraw/zinc/02/64/34/398026434.db2.gz SBSAAVXYADAVRZ-QMMMGPOBSA-N 1 0 239.275 1.040 20 5 BDBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000086466618 411405799 /nfs/dbraw/zinc/40/57/99/411405799.db2.gz FGCFBSGDSIQCRH-GHMZBOCLSA-N 1 0 249.314 1.777 20 5 BDBDRO CC[NH2+]CCNc1c(C)cccc1[N+](=O)[O-] ZINC000125756709 170116079 /nfs/dbraw/zinc/11/60/79/170116079.db2.gz PMIOOSLZJRNTHO-UHFFFAOYSA-N 1 0 223.276 1.925 20 5 BDBDRO C[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000052076699 173342357 /nfs/dbraw/zinc/34/23/57/173342357.db2.gz WWCVATALFJSXTG-UHFFFAOYSA-N 1 0 223.232 1.143 20 5 BDBDRO C[NH2+]CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000054244801 173357014 /nfs/dbraw/zinc/35/70/14/173357014.db2.gz NZNQZJAHCDUGIL-UHFFFAOYSA-N 1 0 246.270 1.774 20 5 BDBDRO C[NH2+]C[C@@H](C)CNc1nc(C)ccc1[N+](=O)[O-] ZINC000129572305 173364008 /nfs/dbraw/zinc/36/40/08/173364008.db2.gz VGZRRGCTJHOOBT-MRVPVSSYSA-N 1 0 238.291 1.566 20 5 BDBDRO C[NH2+][C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000129165450 173437775 /nfs/dbraw/zinc/43/77/75/173437775.db2.gz SHJMUWDPILZLKE-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO COCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000008728601 174247928 /nfs/dbraw/zinc/24/79/28/174247928.db2.gz RSZCPRUFJUHWQH-UHFFFAOYSA-N 1 0 224.260 1.721 20 5 BDBDRO COc1ccc(C[NH2+][C@H](C)CO)cc1[N+](=O)[O-] ZINC000035604590 175111568 /nfs/dbraw/zinc/11/15/68/175111568.db2.gz SHLOYVNYKWCFIE-MRVPVSSYSA-N 1 0 240.259 1.074 20 5 BDBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000336659225 175672555 /nfs/dbraw/zinc/67/25/55/175672555.db2.gz MXKHVKVGIXWUHS-LURJTMIESA-N 1 0 243.288 1.123 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000038086933 176018827 /nfs/dbraw/zinc/01/88/27/176018827.db2.gz NIAUSEAZQHXZHT-NSHDSACASA-N 1 0 249.314 1.951 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235333312 176019189 /nfs/dbraw/zinc/01/91/89/176019189.db2.gz VEUXLFKUQWFQIN-NRUUGDAUSA-N 1 0 249.314 1.935 20 5 BDBDRO C[C@@H]1CCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000282111907 176131734 /nfs/dbraw/zinc/13/17/34/176131734.db2.gz PZVRSCXTFGYPCO-ZJUUUORDSA-N 1 0 238.291 1.570 20 5 BDBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355343972 176362443 /nfs/dbraw/zinc/36/24/43/176362443.db2.gz PKGFYIPXEOJNKN-RKDXNWHRSA-N 1 0 238.291 1.559 20 5 BDBDRO C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174881807 177109765 /nfs/dbraw/zinc/10/97/65/177109765.db2.gz KQHBMNINHDWEME-VIFPVBQESA-N 1 0 224.264 1.276 20 5 BDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000070075192 177262940 /nfs/dbraw/zinc/26/29/40/177262940.db2.gz JJZJYMULDSEQHN-PHIMTYICSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000235658428 177263230 /nfs/dbraw/zinc/26/32/30/177263230.db2.gz XZVIENVVOOSYJQ-CABZTGNLSA-N 1 0 235.287 1.374 20 5 BDBDRO C[C@@H]1C[C@H](C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357953495 177319124 /nfs/dbraw/zinc/31/91/24/177319124.db2.gz BYCQOKZFSUZSRR-VHSXEESVSA-N 1 0 238.291 1.522 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCSc1nccs1 ZINC000905109219 637614528 /nfs/dbraw/zinc/61/45/28/637614528.db2.gz CWHFLFLLYWFMMN-UHFFFAOYSA-N 1 0 247.345 1.492 20 5 BDBDRO COCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418412 323123756 /nfs/dbraw/zinc/12/37/56/323123756.db2.gz PCHHNDDLSISOII-LLVKDONJSA-N 1 0 236.271 1.818 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC1C[NH2+]C1)CCC2 ZINC000571632575 323149971 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ZINC000899871952 584244250 /nfs/dbraw/zinc/24/42/50/584244250.db2.gz VUFHHASNSIWRMB-UHFFFAOYSA-N 1 0 230.214 1.374 20 5 BDBDRO CC(C)[C@@H]1[N@H+](CC[N+](=O)[O-])CC12CC=CC2 ZINC000899891511 584246558 /nfs/dbraw/zinc/24/65/58/584246558.db2.gz PTDGQQJCNVKICB-NSHDSACASA-N 1 0 224.304 1.940 20 5 BDBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000744442074 585150229 /nfs/dbraw/zinc/15/02/29/585150229.db2.gz WHIZIGNYDZSCJH-UWVGGRQHSA-N 1 0 238.291 1.869 20 5 BDBDRO CC(C)[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000755919614 585310609 /nfs/dbraw/zinc/31/06/09/585310609.db2.gz JDNFIEPIBCNTHV-JTQLQIEISA-N 1 0 238.291 1.727 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782623123 585823152 /nfs/dbraw/zinc/82/31/52/585823152.db2.gz YWWBWDXJGGJJRO-YPMHNXCESA-N 1 0 248.282 1.409 20 5 BDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCF)CC2)n1 ZINC000785857170 585882060 /nfs/dbraw/zinc/88/20/60/585882060.db2.gz CJJRXVLAQZZPAE-UHFFFAOYSA-N 1 0 242.254 1.398 20 5 BDBDRO O=[N+]([O-])CCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000791052490 585972598 /nfs/dbraw/zinc/97/25/98/585972598.db2.gz OLFKNUXMSDNXHY-GFCCVEGCSA-N 1 0 241.335 1.213 20 5 BDBDRO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000791055810 585973740 /nfs/dbraw/zinc/97/37/40/585973740.db2.gz YVDPIBJRKVYIKB-GHMZBOCLSA-N 1 0 238.291 1.043 20 5 BDBDRO [NH3+]CCCCCCCn1cc([N+](=O)[O-])cn1 ZINC000818620289 586907220 /nfs/dbraw/zinc/90/72/20/586907220.db2.gz VOTUZXGJAFPATB-UHFFFAOYSA-N 1 0 226.280 1.701 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CC[NH3+])n1 ZINC000843186658 588090974 /nfs/dbraw/zinc/09/09/74/588090974.db2.gz BFZHWBYRMVSYNT-UHFFFAOYSA-N 1 0 248.242 1.454 20 5 BDBDRO Cc1c(CNC(=[NH2+])N(C)C)cccc1[N+](=O)[O-] ZINC000849022046 588439299 /nfs/dbraw/zinc/43/92/99/588439299.db2.gz VBJQJSOTDXQDNI-UHFFFAOYSA-N 1 0 236.275 1.489 20 5 BDBDRO [NH3+][C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000123574064 589755209 /nfs/dbraw/zinc/75/52/09/589755209.db2.gz OCVZEFFCXILTRH-NSHDSACASA-N 1 0 249.270 1.661 20 5 BDBDRO C[C@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016325 589856209 /nfs/dbraw/zinc/85/62/09/589856209.db2.gz IDFXZOZIPJGRHP-YUMQZZPRSA-N 1 0 242.250 1.765 20 5 BDBDRO C[C@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872023075 589856856 /nfs/dbraw/zinc/85/68/56/589856856.db2.gz BXHJGYOGQRDXGC-HTQZYQBOSA-N 1 0 242.250 1.765 20 5 BDBDRO Cc1ccnc(NC[C@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000129331247 591279641 /nfs/dbraw/zinc/27/96/41/591279641.db2.gz IJVVHQBLHFDDDK-VIFPVBQESA-N 1 0 236.275 1.447 20 5 BDBDRO C[N@H+](CCCF)CCn1ccc([N+](=O)[O-])n1 ZINC000887139084 592454754 /nfs/dbraw/zinc/45/47/54/592454754.db2.gz ZCIZMLLQGUMLTP-UHFFFAOYSA-N 1 0 230.243 1.083 20 5 BDBDRO Cc1cccc(OCCC[NH2+]CC[N+](=O)[O-])c1 ZINC000905027844 637575402 /nfs/dbraw/zinc/57/54/02/637575402.db2.gz SEMPFOVRIOCXFG-UHFFFAOYSA-N 1 0 238.287 1.630 20 5 BDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NCC[N+](=O)[O-] ZINC000905066039 637598193 /nfs/dbraw/zinc/59/81/93/637598193.db2.gz AURMHVZRZILNOU-IJLUTSLNSA-N 1 0 243.351 1.219 20 5 BDBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NCC[N+](=O)[O-] ZINC000905066038 637599013 /nfs/dbraw/zinc/59/90/13/637599013.db2.gz AURMHVZRZILNOU-GRYCIOLGSA-N 1 0 243.351 1.219 20 5 BDBDRO Cc1ccc(OC[C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000905065608 637599667 /nfs/dbraw/zinc/59/96/67/637599667.db2.gz ISAOCRMJICUGEV-NSHDSACASA-N 1 0 238.287 1.629 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000905110149 637617266 /nfs/dbraw/zinc/61/72/66/637617266.db2.gz JBKVPSJILCEVKD-LBPRGKRZSA-N 1 0 236.271 1.167 20 5 BDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])c1ccncc1 ZINC000905156866 637638944 /nfs/dbraw/zinc/63/89/44/637638944.db2.gz WFWIFNVMSRCQJF-SECBINFHSA-N 1 0 209.249 1.051 20 5 BDBDRO C[C@]1(C[NH2+]CC[N+](=O)[O-])CCCS1 ZINC000905158302 637640051 /nfs/dbraw/zinc/64/00/51/637640051.db2.gz IPLGUXDQTMVMPW-MRVPVSSYSA-N 1 0 204.295 1.138 20 5 BDBDRO CC1(C)CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905131161 637642736 /nfs/dbraw/zinc/64/27/36/637642736.db2.gz CXJWAPQUWOACES-UHFFFAOYSA-N 1 0 200.282 1.822 20 5 BDBDRO CCO[C@H](CC[NH2+]CC[N+](=O)[O-])C1CCCC1 ZINC000905145523 637652993 /nfs/dbraw/zinc/65/29/93/637652993.db2.gz JUNBPXFXFHFAJY-GFCCVEGCSA-N 1 0 244.335 1.838 20 5 BDBDRO Cc1ccc(NCCC[NH2+]CC[N+](=O)[O-])nc1 ZINC000905149281 637658723 /nfs/dbraw/zinc/65/87/23/637658723.db2.gz SCNUZMUYPRAQHP-UHFFFAOYSA-N 1 0 238.291 1.058 20 5 BDBDRO Cc1nc2c(s1)[C@@H]([NH2+]CC[N+](=O)[O-])CCC2 ZINC000905200691 637693927 /nfs/dbraw/zinc/69/39/27/637693927.db2.gz HMZGELHGACEDOA-QMMMGPOBSA-N 1 0 241.316 1.695 20 5 BDBDRO C[C@H]1Oc2ccccc2[C@H]1NCC[N+](=O)[O-] ZINC000905260885 637716104 /nfs/dbraw/zinc/71/61/04/637716104.db2.gz OVNNOWWMLWTLME-KCJUWKMLSA-N 1 0 222.244 1.375 20 5 BDBDRO CC[C@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])CC1 ZINC000905267396 637720241 /nfs/dbraw/zinc/72/02/41/637720241.db2.gz LBUCIWJCPOAUBR-MGCOHNPYSA-N 1 0 200.282 1.822 20 5 BDBDRO CC[C@@H](COCC(F)(F)F)[NH2+]CC[N+](=O)[O-] ZINC000905272595 637731398 /nfs/dbraw/zinc/73/13/98/637731398.db2.gz HSHRVAVUIFUDJO-ZETCQYMHSA-N 1 0 244.213 1.210 20 5 BDBDRO Cc1[nH+]c2cc(NCC[N+](=O)[O-])ccc2n1C ZINC000905324372 637748709 /nfs/dbraw/zinc/74/87/09/637748709.db2.gz JZJPHDTWNOMSON-UHFFFAOYSA-N 1 0 234.259 1.570 20 5 BDBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905384304 637783885 /nfs/dbraw/zinc/78/38/85/637783885.db2.gz WQUQETRCFZXOHZ-KYZUINATSA-N 1 0 216.281 1.199 20 5 BDBDRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905362540 637788044 /nfs/dbraw/zinc/78/80/44/637788044.db2.gz UYFTXMIRSICIJX-JQWIXIFHSA-N 1 0 238.287 1.365 20 5 BDBDRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]CC[N+](=O)[O-] ZINC000905368037 637788999 /nfs/dbraw/zinc/78/89/99/637788999.db2.gz XWMXGWFMNZZFMQ-DTWKUNHWSA-N 1 0 244.316 1.426 20 5 BDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000905415908 637803315 /nfs/dbraw/zinc/80/33/15/637803315.db2.gz TZJOMKUQJRSVHB-VXGBXAGGSA-N 1 0 238.287 1.365 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000905476899 637817330 /nfs/dbraw/zinc/81/73/30/637817330.db2.gz BARQAHYFBXUNKQ-SNVBAGLBSA-N 1 0 228.292 1.202 20 5 BDBDRO CC1(C)CO[C@@H](CC[NH2+]CC[N+](=O)[O-])C1 ZINC000905477590 637817814 /nfs/dbraw/zinc/81/78/14/637817814.db2.gz CZOVTZBPMJOAPV-VIFPVBQESA-N 1 0 216.281 1.058 20 5 BDBDRO CSC1CCC(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905510435 637832099 /nfs/dbraw/zinc/83/20/99/637832099.db2.gz WDLHMOYLUKMHQD-UHFFFAOYSA-N 1 0 232.349 1.775 20 5 BDBDRO C[C@@]1(C[NH2+]CC[N+](=O)[O-])CCOC2(CCC2)C1 ZINC000905489208 637835063 /nfs/dbraw/zinc/83/50/63/637835063.db2.gz ZCWWSRDNZMYGKB-LLVKDONJSA-N 1 0 242.319 1.592 20 5 BDBDRO O=[N+]([O-])CCNCc1nc2c(s1)CCCC2 ZINC000905570089 637850203 /nfs/dbraw/zinc/85/02/03/637850203.db2.gz ZFZCPRZVDQRWNF-UHFFFAOYSA-N 1 0 241.316 1.388 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000905587662 637855155 /nfs/dbraw/zinc/85/51/55/637855155.db2.gz RAOAAIAFYRVAAS-JTQLQIEISA-N 1 0 228.292 1.345 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])C1CCOCC1 ZINC000905642222 637880908 /nfs/dbraw/zinc/88/09/08/637880908.db2.gz YVVDFEOHTZQUQU-UHFFFAOYSA-N 1 0 230.308 1.306 20 5 BDBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC[N+](=O)[O-] ZINC000930248350 639656419 /nfs/dbraw/zinc/65/64/19/639656419.db2.gz IMHNZIGRIUYBOK-SSDOTTSWSA-N 1 0 228.214 1.830 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000930477839 639775980 /nfs/dbraw/zinc/77/59/80/639775980.db2.gz MYIYWIQFJTVFNE-GFCCVEGCSA-N 1 0 235.287 1.538 20 5 BDBDRO C[C@@H](CCCc1cccnc1)[NH2+]CC[N+](=O)[O-] ZINC000930696899 639864317 /nfs/dbraw/zinc/86/43/17/639864317.db2.gz VJOVVOFCWSEYKZ-NSHDSACASA-N 1 0 237.303 1.659 20 5 BDBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000930711432 639875379 /nfs/dbraw/zinc/87/53/79/639875379.db2.gz MHQOXOIEBJXFBP-NEPJUHHUSA-N 1 0 236.271 1.165 20 5 BDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000930744587 639892464 /nfs/dbraw/zinc/89/24/64/639892464.db2.gz YEDGEUXSNIUAJY-DTWKUNHWSA-N 1 0 200.282 1.677 20 5 BDBDRO C/C=C\C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931339154 640165319 /nfs/dbraw/zinc/16/53/19/640165319.db2.gz VXLGDTCQLAPIHV-OTDNITJGSA-N 1 0 212.293 1.941 20 5 BDBDRO CC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000931701595 640324817 /nfs/dbraw/zinc/32/48/17/640324817.db2.gz WNGXFWJULFZCFN-ZJUUUORDSA-N 1 0 216.281 1.058 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931922905 640390406 /nfs/dbraw/zinc/39/04/06/640390406.db2.gz KYCPGWIASYQPSC-OLZOCXBDSA-N 1 0 232.283 1.537 20 5 BDBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000932489767 640553477 /nfs/dbraw/zinc/55/34/77/640553477.db2.gz SEBMWZZIQQVCGO-SCZZXKLOSA-N 1 0 237.259 1.114 20 5 BDBDRO Cc1[nH]c(C)c(Cn2cccc([N+](=O)[O-])c2=O)[nH+]1 ZINC000916832710 641979329 /nfs/dbraw/zinc/97/93/29/641979329.db2.gz UPCCHROTLDCVTP-UHFFFAOYSA-N 1 0 248.242 1.145 20 5 BDBDRO CC(C)[N@H+](CC1CC1)Cn1nccc1[N+](=O)[O-] ZINC000917430089 642061960 /nfs/dbraw/zinc/06/19/60/642061960.db2.gz DQYGAUHEZXWHHE-UHFFFAOYSA-N 1 0 238.291 1.869 20 5 BDBDRO CC[NH2+]CCNc1cccc(C)c1[N+](=O)[O-] ZINC000233519674 642675657 /nfs/dbraw/zinc/67/56/57/642675657.db2.gz YCENQYKSAQCUGW-UHFFFAOYSA-N 1 0 223.276 1.925 20 5 BDBDRO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000087128192 644478789 /nfs/dbraw/zinc/47/87/89/644478789.db2.gz BGPZNFGADQKDAO-DTWKUNHWSA-N 1 0 224.260 1.454 20 5 BDBDRO [NH3+]C[C@@H]1CCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000089092180 644533655 /nfs/dbraw/zinc/53/36/55/644533655.db2.gz NBETWDAKYLDQDC-DTWKUNHWSA-N 1 0 236.275 1.529 20 5 BDBDRO CC[C@]1(C)CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929747473 646279401 /nfs/dbraw/zinc/27/94/01/646279401.db2.gz DCDMZQFWPXPEMT-SNVBAGLBSA-N 1 0 200.282 1.775 20 5 BDBDRO CO[C@@]1(C)C[C@H]([N@H+](C)CC[N+](=O)[O-])C1(C)C ZINC000929758205 646290678 /nfs/dbraw/zinc/29/06/78/646290678.db2.gz XPHCEIRBPYKZPS-ONGXEEELSA-N 1 0 230.308 1.399 20 5 BDBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC[N+](=O)[O-] ZINC000930193651 646485573 /nfs/dbraw/zinc/48/55/73/646485573.db2.gz SJQMDZOBWZJMPN-RKDXNWHRSA-N 1 0 200.282 1.677 20 5 BDBDRO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000719572887 712811320 /nfs/dbraw/zinc/81/13/20/712811320.db2.gz VQFXNQKSMPPPBD-RNFRBKRXSA-N 1 0 242.304 1.556 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000791053536 712421864 /nfs/dbraw/zinc/42/18/64/712421864.db2.gz TWOOJHMOLGDKMI-VHSXEESVSA-N 1 0 230.333 1.623 20 5 BDBDRO CN1CC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000712587999 712434572 /nfs/dbraw/zinc/43/45/72/712434572.db2.gz VVEGUVUAIMXOSW-LLVKDONJSA-N 1 0 235.287 1.389 20 5 BDBDRO Cc1c(NC(=O)[C@@H]2C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000715098635 712509088 /nfs/dbraw/zinc/50/90/88/712509088.db2.gz UTBKMQJJIDHNDP-RKDXNWHRSA-N 1 0 249.270 1.437 20 5 BDBDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000719601984 712815707 /nfs/dbraw/zinc/81/57/07/712815707.db2.gz NZUILJXEYCAINX-MFKMUULPSA-N 1 0 249.314 1.777 20 5 BDBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000720814981 712868498 /nfs/dbraw/zinc/86/84/98/712868498.db2.gz AAYWEGHMQNQCGX-GFCCVEGCSA-N 1 0 249.314 1.764 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[C@H](O)C2)cs1 ZINC000720913966 712877931 /nfs/dbraw/zinc/87/79/31/712877931.db2.gz HZHSXSWFGHXJMK-XWEPSHTISA-N 1 0 242.300 1.517 20 5 BDBDRO CCCOC[C@H](C)OCCC[N+](C)(C)C ZINC001224623664 964810131 /nfs/dbraw/zinc/81/01/31/964810131.db2.gz PFRBJRHUHFZOGE-LBPRGKRZSA-N 1 0 218.361 1.914 20 5 BDBDRO NC1=C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC=C1 ZINC001168984749 969302165 /nfs/dbraw/zinc/30/21/65/969302165.db2.gz AENHBQFHIVLGTN-MWLCHTKSSA-N 1 0 223.276 1.104 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001168967860 969320429 /nfs/dbraw/zinc/32/04/29/969320429.db2.gz TZOUSKJSKXULMW-WOPDTQHZSA-N 1 0 242.319 1.448 20 5 BDBDRO O=C1CC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168969846 969321612 /nfs/dbraw/zinc/32/16/12/969321612.db2.gz 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CC(C)N(CCC[NH3+])c1ncccc1[N+](=O)[O-] ZINC001164123041 965747391 /nfs/dbraw/zinc/74/73/91/965747391.db2.gz XGJZKFDRHPRVET-UHFFFAOYSA-N 1 0 238.291 1.553 20 5 BDBDRO [NH3+][C@H]1CCN(c2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001164279405 965823889 /nfs/dbraw/zinc/82/38/89/965823889.db2.gz QKBXVBKCJKWGLR-LURJTMIESA-N 1 0 242.666 1.181 20 5 BDBDRO CN(c1ccc([N+](=O)[O-])nc1)c1cc(N)cc[nH+]1 ZINC001203569420 966695004 /nfs/dbraw/zinc/69/50/04/966695004.db2.gz DCQAFHAVPGVWBP-UHFFFAOYSA-N 1 0 245.242 1.735 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OC[C@@H]1CCCO1 ZINC001205992424 967943116 /nfs/dbraw/zinc/94/31/16/967943116.db2.gz KCRYQLNVROPGCW-QWRGUYRKSA-N 1 0 202.318 1.277 20 5 BDBDRO [NH3+][C@H]1CCN(c2ccc3c([N+](=O)[O-])c[nH]c3n2)C1 ZINC001164275158 968206039 /nfs/dbraw/zinc/20/60/39/968206039.db2.gz CZBWKJDZBPNXMT-ZETCQYMHSA-N 1 0 247.258 1.009 20 5 BDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NOCC[NH3+] ZINC001164430248 968234646 /nfs/dbraw/zinc/23/46/46/968234646.db2.gz XUBLUTCWSRDVSO-UHFFFAOYSA-N 1 0 239.275 1.822 20 5 BDBDRO [NH3+][C@H]1CCN(c2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001156228156 969231109 /nfs/dbraw/zinc/23/11/09/969231109.db2.gz BEWRMVSKADQEHH-ZETCQYMHSA-N 1 0 242.666 1.181 20 5 BDBDRO CCC[C@H](CO)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976497 969296908 /nfs/dbraw/zinc/29/69/08/969296908.db2.gz DEJGCYDPCSGEKY-GARJFASQSA-N 1 0 230.308 1.182 20 5 BDBDRO CCCOCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977484 969297015 /nfs/dbraw/zinc/29/70/15/969297015.db2.gz KDWLQLMGIFIMPC-RYUDHWBXSA-N 1 0 244.335 1.838 20 5 BDBDRO Cc1cnc(C[NH3+])n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979182 969298044 /nfs/dbraw/zinc/29/80/44/969298044.db2.gz WZCQWXUHUJFNPO-UWVGGRQHSA-N 1 0 238.291 1.268 20 5 BDBDRO C[C@H]([NH3+])c1ccn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168978198 969298468 /nfs/dbraw/zinc/29/84/68/969298468.db2.gz PSLCVRQHAXYYLT-LPEHRKFASA-N 1 0 238.291 1.521 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(CF)CC2)C1 ZINC001168956948 969306365 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O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCO2)C1 ZINC001168959436 969310617 /nfs/dbraw/zinc/31/06/17/969310617.db2.gz WDZPDUIJKHVISP-GMTAPVOTSA-N 1 0 228.292 1.200 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccnn2)C1 ZINC001168967681 969320759 /nfs/dbraw/zinc/32/07/59/969320759.db2.gz SJOGEWQGPVTGRB-NXEZZACHSA-N 1 0 236.275 1.012 20 5 BDBDRO [NH3+]Cc1cccn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168969344 969320799 /nfs/dbraw/zinc/32/07/99/969320799.db2.gz DEDBAZOUOGSDLP-NXEZZACHSA-N 1 0 223.276 1.565 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001168967381 969322409 /nfs/dbraw/zinc/32/24/09/969322409.db2.gz PJVAFOSVPVQSKT-UTUOFQBUSA-N 1 0 242.319 1.591 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2F)C1 ZINC001168974713 969323264 /nfs/dbraw/zinc/32/32/64/969323264.db2.gz SRRSZHYQGGIZER-RBXMUDONSA-N 1 0 202.229 1.132 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CO)C1 ZINC001169000992 969325622 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ZINC000054978536 398282464 /nfs/dbraw/zinc/28/24/64/398282464.db2.gz KMLUTRCPYKPODW-LLVKDONJSA-N 1 0 236.271 1.863 20 5 BDBDRO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC(C)C ZINC000602439232 342913709 /nfs/dbraw/zinc/91/37/09/342913709.db2.gz IINYQOOMODCIQP-UHFFFAOYSA-N 1 0 240.307 1.806 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[NH2+]C1 ZINC000050015647 398332290 /nfs/dbraw/zinc/33/22/90/398332290.db2.gz ZOKAGNKOYPXMAW-LLVKDONJSA-N 1 0 235.287 1.436 20 5 BDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000061707771 398343620 /nfs/dbraw/zinc/34/36/20/398343620.db2.gz PYCWMKHHQBPRTP-NSHDSACASA-N 1 0 222.244 1.161 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]C2)nc1 ZINC000043220446 343008412 /nfs/dbraw/zinc/00/84/12/343008412.db2.gz YAHRZIMTKUGWEE-SECBINFHSA-N 1 0 236.275 1.401 20 5 BDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000602598993 343621791 /nfs/dbraw/zinc/62/17/91/343621791.db2.gz NHCQPUYYJLNUQA-WPRPVWTQSA-N 1 0 249.270 1.157 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000381410601 344503344 /nfs/dbraw/zinc/50/33/44/344503344.db2.gz XRGDFDULRBPCNU-YUMQZZPRSA-N 1 0 237.259 1.060 20 5 BDBDRO CC[NH+](CC)CCNc1cccnc1[N+](=O)[O-] ZINC000159275323 349917714 /nfs/dbraw/zinc/91/77/14/349917714.db2.gz OEBADKWIIAGFDP-UHFFFAOYSA-N 1 0 238.291 1.744 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[NH2+]2)nc1 ZINC000044493088 345096138 /nfs/dbraw/zinc/09/61/38/345096138.db2.gz JZMPIPZOFKEWCE-VIFPVBQESA-N 1 0 236.275 1.544 20 5 BDBDRO C[C@H]([NH3+])[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000158844482 345583587 /nfs/dbraw/zinc/58/35/87/345583587.db2.gz NWVJEIMOADDSSJ-UWVGGRQHSA-N 1 0 235.287 1.768 20 5 BDBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000601327560 345770838 /nfs/dbraw/zinc/77/08/38/345770838.db2.gz WPFIYKTURMKEHX-ZYHUDNBSSA-N 1 0 249.314 1.621 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]([NH3+])C2CC2)n1 ZINC000129328385 178929142 /nfs/dbraw/zinc/92/91/42/178929142.db2.gz BESJJUGSZBVXQV-SECBINFHSA-N 1 0 236.275 1.447 20 5 BDBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000083662423 537918212 /nfs/dbraw/zinc/91/82/12/537918212.db2.gz LTEFNGVSHYTJNX-SECBINFHSA-N 1 0 238.287 1.844 20 5 BDBDRO C[NH+](C)CCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000401121291 346235746 /nfs/dbraw/zinc/23/57/46/346235746.db2.gz IYHPKWGBPXXQIW-UHFFFAOYSA-N 1 0 242.254 1.493 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000591437427 347660424 /nfs/dbraw/zinc/66/04/24/347660424.db2.gz HGXSBTYFNQZGTP-MWLCHTKSSA-N 1 0 248.286 1.178 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591436942 347660497 /nfs/dbraw/zinc/66/04/97/347660497.db2.gz DHZNNPXCFZKGLG-WDEREUQCSA-N 1 0 247.298 1.783 20 5 BDBDRO CC1(C)C[NH2+][C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000591673143 347684801 /nfs/dbraw/zinc/68/48/01/347684801.db2.gz PWGXYQZLDVVNQL-JTQLQIEISA-N 1 0 249.270 1.531 20 5 BDBDRO C[C@@H](CCO)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000593109109 347860594 /nfs/dbraw/zinc/86/05/94/347860594.db2.gz IEIJSDMQVABVEZ-JTQLQIEISA-N 1 0 238.287 1.798 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](O)C2)c(F)c1 ZINC000595000356 348168490 /nfs/dbraw/zinc/16/84/90/348168490.db2.gz GCIPTOSFJFAWLZ-CZMCAQCFSA-N 1 0 240.234 1.347 20 5 BDBDRO CC[C@@H](C)[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000595600939 348295371 /nfs/dbraw/zinc/29/53/71/348295371.db2.gz QXJSMSPBAJNTHT-SNVBAGLBSA-N 1 0 240.307 1.912 20 5 BDBDRO C[C@@H](CCNc1ccncc1[N+](=O)[O-])[NH+](C)C ZINC000596434678 348546458 /nfs/dbraw/zinc/54/64/58/348546458.db2.gz YATKSPUDOFSECT-VIFPVBQESA-N 1 0 238.291 1.164 20 5 BDBDRO Cc1cnc(NC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000133793171 179635834 /nfs/dbraw/zinc/63/58/34/179635834.db2.gz JZXPTRIIGCGWPU-SECBINFHSA-N 1 0 236.275 1.320 20 5 BDBDRO C[C@H](O)C1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000597233956 348700401 /nfs/dbraw/zinc/70/04/01/348700401.db2.gz DMUPRKZZGJHTOI-VIFPVBQESA-N 1 0 236.271 1.598 20 5 BDBDRO O=[N+]([O-])c1ccsc1NCCN1CCC1 ZINC000308959001 349202799 /nfs/dbraw/zinc/20/27/99/349202799.db2.gz YLRZLRZLHVAKPL-UHFFFAOYSA-N 1 0 227.289 1.774 20 5 BDBDRO Cc1nc(N2C[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000235665210 180005178 /nfs/dbraw/zinc/00/51/78/180005178.db2.gz TUEPMHXDKLWODJ-CBAPKCEASA-N 1 0 236.275 1.082 20 5 BDBDRO Cc1nn(C)c(SCC[NH+](C)C)c1[N+](=O)[O-] ZINC000301607970 180361254 /nfs/dbraw/zinc/36/12/54/180361254.db2.gz OFEHLRXIRYTHRJ-UHFFFAOYSA-N 1 0 244.320 1.290 20 5 BDBDRO Cc1nn(C[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000331331610 180390906 /nfs/dbraw/zinc/39/09/06/180390906.db2.gz OUUHCGKSGFWFCX-ZETCQYMHSA-N 1 0 212.253 1.050 20 5 BDBDRO O=[N+]([O-])c1ccc(OCC[C@@H]2CC[NH2+]C2)cc1 ZINC000122473723 363024438 /nfs/dbraw/zinc/02/44/38/363024438.db2.gz IITZSZHHIQJSHX-JTQLQIEISA-N 1 0 236.271 1.973 20 5 BDBDRO CC[C@@H]([NH3+])CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414980089 352417215 /nfs/dbraw/zinc/41/72/15/352417215.db2.gz OXQHAWMKISRBOI-LLVKDONJSA-N 1 0 237.303 1.730 20 5 BDBDRO C[C@@H]([NH2+]C[C@H](C)CO)c1ccccc1[N+](=O)[O-] ZINC000086622733 352428387 /nfs/dbraw/zinc/42/83/87/352428387.db2.gz UGQXHMAUIUYENZ-VHSXEESVSA-N 1 0 238.287 1.874 20 5 BDBDRO Cc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1[N+](=O)[O-] ZINC000037713498 188254793 /nfs/dbraw/zinc/25/47/93/188254793.db2.gz BUNDYCRIWWZIBR-JTQLQIEISA-N 1 0 237.303 1.903 20 5 BDBDRO CC(C)([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040920428 188292720 /nfs/dbraw/zinc/29/27/20/188292720.db2.gz WVRMCMMMRDNDBQ-UHFFFAOYSA-N 1 0 223.232 1.271 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NC2C[NH2+]C2)c1 ZINC000087151093 353804147 /nfs/dbraw/zinc/80/41/47/353804147.db2.gz HWJBWKUTTXMWAN-UHFFFAOYSA-N 1 0 207.233 1.287 20 5 BDBDRO O=[N+]([O-])c1cc(CNC[C@H]2CCC[NH2+]2)cs1 ZINC000414848109 191599804 /nfs/dbraw/zinc/59/98/04/191599804.db2.gz PMAVHUUCGDOZOA-SECBINFHSA-N 1 0 241.316 1.498 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(C)C[NH2+]C1 ZINC000399174013 355797108 /nfs/dbraw/zinc/79/71/08/355797108.db2.gz PHGVBSWIBXEDPP-UHFFFAOYSA-N 1 0 249.270 1.451 20 5 BDBDRO [NH3+][C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000420244158 192185452 /nfs/dbraw/zinc/18/54/52/192185452.db2.gz YBMHTXRQYGDGKS-SSDOTTSWSA-N 1 0 240.238 1.056 20 5 BDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000037985905 356457731 /nfs/dbraw/zinc/45/77/31/356457731.db2.gz KJNXNPRBJRSBDE-SECBINFHSA-N 1 0 223.276 1.957 20 5 BDBDRO CC(C)([NH3+])CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000346817946 357159853 /nfs/dbraw/zinc/15/98/53/357159853.db2.gz BOSVDEHEDLPLNH-UHFFFAOYSA-N 1 0 249.314 1.690 20 5 BDBDRO C[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000035602414 358002372 /nfs/dbraw/zinc/00/23/72/358002372.db2.gz VOYYWLSQGMWMKN-MRVPVSSYSA-N 1 0 210.233 1.065 20 5 BDBDRO Cc1c(C[NH2+]C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000035648937 358015357 /nfs/dbraw/zinc/01/53/57/358015357.db2.gz UPUONFRXMHAZOU-MRVPVSSYSA-N 1 0 224.260 1.374 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[C@H]1CC[NH2+]C1 ZINC000578439951 366568366 /nfs/dbraw/zinc/56/83/66/366568366.db2.gz DWCLOZIXCCOMDP-SECBINFHSA-N 1 0 224.264 1.099 20 5 BDBDRO [NH3+]C1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000147787114 181327749 /nfs/dbraw/zinc/32/77/49/181327749.db2.gz UAWYABZSHRXCQQ-UHFFFAOYSA-N 1 0 249.270 1.092 20 5 BDBDRO Cc1c(NC(=O)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000037029870 361593573 /nfs/dbraw/zinc/59/35/73/361593573.db2.gz FWBRAGJJHUKSQZ-UHFFFAOYSA-N 1 0 237.259 1.581 20 5 BDBDRO [NH3+]C1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000226766563 181342598 /nfs/dbraw/zinc/34/25/98/181342598.db2.gz SIFYBDKVSCKDRG-UHFFFAOYSA-N 1 0 242.304 1.733 20 5 BDBDRO C[C@H]([NH3+])Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000581487054 367516977 /nfs/dbraw/zinc/51/69/77/367516977.db2.gz QLQLRGCIPSFMIE-QMMMGPOBSA-N 1 0 247.254 1.257 20 5 BDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCC1(C)C ZINC000566863880 326089280 /nfs/dbraw/zinc/08/92/80/326089280.db2.gz KUYAZPLZEUPECV-SECBINFHSA-N 1 0 238.291 1.607 20 5 BDBDRO [NH3+]C[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000044539808 181458760 /nfs/dbraw/zinc/45/87/60/181458760.db2.gz CPZUKKKZIGZTCR-CYBMUJFWSA-N 1 0 249.314 1.908 20 5 BDBDRO CCc1nn(C)c(NCCCC[NH3+])c1[N+](=O)[O-] ZINC000091560818 369441768 /nfs/dbraw/zinc/44/17/68/369441768.db2.gz QWGNQQASWCXLLS-UHFFFAOYSA-N 1 0 241.295 1.042 20 5 BDBDRO CC(C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000092392760 371096709 /nfs/dbraw/zinc/09/67/09/371096709.db2.gz NCVJOLPXJISXPK-LBPRGKRZSA-N 1 0 238.287 1.701 20 5 BDBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccccc1[N+](=O)[O-] ZINC000124552822 371197105 /nfs/dbraw/zinc/19/71/05/371197105.db2.gz IYSIGZXWVRWSCF-ZYHUDNBSSA-N 1 0 249.314 1.906 20 5 BDBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccccc1[N+](=O)[O-] ZINC000124553344 371197252 /nfs/dbraw/zinc/19/72/52/371197252.db2.gz IYSIGZXWVRWSCF-JQWIXIFHSA-N 1 0 249.314 1.906 20 5 BDBDRO [NH3+][C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000129211236 181548576 /nfs/dbraw/zinc/54/85/76/181548576.db2.gz LDEFIVLKWVZFRR-JTQLQIEISA-N 1 0 249.270 1.062 20 5 BDBDRO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000097092793 181593856 /nfs/dbraw/zinc/59/38/56/181593856.db2.gz FWNJZVKQTIHQCT-DTWKUNHWSA-N 1 0 249.270 1.661 20 5 BDBDRO CCC[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000350700193 371588102 /nfs/dbraw/zinc/58/81/02/371588102.db2.gz JCDZGCKKFQFHPU-UHFFFAOYSA-N 1 0 226.280 1.523 20 5 BDBDRO C[NH2+]CCn1cc(-c2ccc([N+](=O)[O-])nc2)cn1 ZINC000600789418 371702297 /nfs/dbraw/zinc/70/22/97/371702297.db2.gz SJWUUVNGTNXLRJ-UHFFFAOYSA-N 1 0 247.258 1.073 20 5 BDBDRO C[C@@H]1C[C@@H]([NH3+])CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000601328896 371747564 /nfs/dbraw/zinc/74/75/64/371747564.db2.gz BUDAUDDDOMENRN-ZYHUDNBSSA-N 1 0 249.314 1.559 20 5 BDBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000601329468 371747766 /nfs/dbraw/zinc/74/77/66/371747766.db2.gz IYONQVXHAHVXEL-TXEJJXNPSA-N 1 0 247.298 1.531 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601330853 371750373 /nfs/dbraw/zinc/75/03/73/371750373.db2.gz YPVGPLUAVSRMSI-TXEJJXNPSA-N 1 0 247.298 1.531 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C/C=C/CO)cc1 ZINC000602709931 371832553 /nfs/dbraw/zinc/83/25/53/371832553.db2.gz KTYHZASRCJYYNB-OWOJBTEDSA-N 1 0 236.271 1.275 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(OCC2C[NH2+]C2)c1 ZINC000304560182 371797807 /nfs/dbraw/zinc/79/78/07/371797807.db2.gz YOJURLREBOHFKZ-UHFFFAOYSA-N 1 0 222.244 1.501 20 5 BDBDRO Cc1c(OCC2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000304568838 371798117 /nfs/dbraw/zinc/79/81/17/371798117.db2.gz ZRIZKLUYAFUZFO-UHFFFAOYSA-N 1 0 222.244 1.501 20 5 BDBDRO Cn1cc(C[N@H+](C)C2CCCC2)c([N+](=O)[O-])n1 ZINC000602432134 371802561 /nfs/dbraw/zinc/80/25/61/371802561.db2.gz WANRFEDVVUZMSX-UHFFFAOYSA-N 1 0 238.291 1.703 20 5 BDBDRO [NH3+][C@H]1CC=C(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000602433829 371802596 /nfs/dbraw/zinc/80/25/96/371802596.db2.gz RRPCLXOBWATKKU-VIFPVBQESA-N 1 0 247.254 1.581 20 5 BDBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602824216 371844250 /nfs/dbraw/zinc/84/42/50/371844250.db2.gz YGSNHVIZDSKLLU-PSASIEDQSA-N 1 0 238.291 1.607 20 5 BDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000603090738 371868336 /nfs/dbraw/zinc/86/83/36/371868336.db2.gz ROFOZHYNWNPQBY-ZYHUDNBSSA-N 1 0 234.255 1.161 20 5 BDBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000603095861 371868623 /nfs/dbraw/zinc/86/86/23/371868623.db2.gz XPQQFZAUDVMAOI-ZYHUDNBSSA-N 1 0 234.255 1.161 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CCC1 ZINC000602782249 371839934 /nfs/dbraw/zinc/83/99/34/371839934.db2.gz LXEUBQPECYBZJR-UHFFFAOYSA-N 1 0 238.291 1.584 20 5 BDBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602806101 371842439 /nfs/dbraw/zinc/84/24/39/371842439.db2.gz OXROWNZDOJGVRJ-RKDXNWHRSA-N 1 0 240.307 1.853 20 5 BDBDRO CN1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000040672420 373587288 /nfs/dbraw/zinc/58/72/88/373587288.db2.gz BIJPAKULYKZJFC-GFCCVEGCSA-N 1 0 249.314 1.779 20 5 BDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000062112600 182372572 /nfs/dbraw/zinc/37/25/72/182372572.db2.gz JIHURXDDWSOQPI-QMMMGPOBSA-N 1 0 235.243 1.143 20 5 BDBDRO Cn1cncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000112343196 383919791 /nfs/dbraw/zinc/91/97/91/383919791.db2.gz YTKISWGNFUGXEN-UHFFFAOYSA-N 1 0 246.270 1.618 20 5 BDBDRO CC(C)(O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000092801059 384171790 /nfs/dbraw/zinc/17/17/90/384171790.db2.gz ADTJATMWNBCEEA-UHFFFAOYSA-N 1 0 238.287 1.845 20 5 BDBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[NH2+]C2)s1 ZINC000226780377 384317629 /nfs/dbraw/zinc/31/76/29/384317629.db2.gz IPMYDIAFBBKOQX-LURJTMIESA-N 1 0 228.277 1.215 20 5 BDBDRO Cc1ccn(C[C@H](C)[NH+](C)C)c(=O)c1[N+](=O)[O-] ZINC000358848359 384343976 /nfs/dbraw/zinc/34/39/76/384343976.db2.gz BFIYLNKICQEXLW-VIFPVBQESA-N 1 0 239.275 1.015 20 5 BDBDRO C[NH+](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000286952551 384453915 /nfs/dbraw/zinc/45/39/15/384453915.db2.gz MOSRBUAVLBFBHO-UHFFFAOYSA-N 1 0 227.239 1.707 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCOC1 ZINC000070969038 384486934 /nfs/dbraw/zinc/48/69/34/384486934.db2.gz RBMPHOGCULGLRU-JTQLQIEISA-N 1 0 222.244 1.473 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCO)c(Cl)c1 ZINC000049963367 384583283 /nfs/dbraw/zinc/58/32/83/384583283.db2.gz QTAQSUKNNUWGEO-UHFFFAOYSA-N 1 0 244.678 1.720 20 5 BDBDRO C[C@@H](CC[NH+](C)C)Nc1c([N+](=O)[O-])ncn1C ZINC000103357430 384608680 /nfs/dbraw/zinc/60/86/80/384608680.db2.gz JQMBMEGHCXYFIM-QMMMGPOBSA-N 1 0 241.295 1.080 20 5 BDBDRO [NH3+]C[C@@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000123395962 384611202 /nfs/dbraw/zinc/61/12/02/384611202.db2.gz NNVZAGOUDUFZID-ZDUSSCGKSA-N 1 0 249.314 1.560 20 5 BDBDRO CO[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310336670 384850985 /nfs/dbraw/zinc/85/09/85/384850985.db2.gz LKRYWRHFCOYAKG-MRVPVSSYSA-N 1 0 242.250 1.858 20 5 BDBDRO CN(CC(C)(C)C[NH3+])c1ncc([N+](=O)[O-])s1 ZINC000226782407 385056103 /nfs/dbraw/zinc/05/61/03/385056103.db2.gz GJOFTFUWJAXZSG-UHFFFAOYSA-N 1 0 244.320 1.472 20 5 BDBDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000340946940 385309482 /nfs/dbraw/zinc/30/94/82/385309482.db2.gz CQRPPWSOXVPCGZ-KOLCDFICSA-N 1 0 236.271 1.550 20 5 BDBDRO CC[C@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034994749 385685212 /nfs/dbraw/zinc/68/52/12/385685212.db2.gz ACUAUCPNZAUPFC-LLVKDONJSA-N 1 0 238.287 1.764 20 5 BDBDRO [NH3+][C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129229837 385740199 /nfs/dbraw/zinc/74/01/99/385740199.db2.gz APDYVACTAFNBBL-LLVKDONJSA-N 1 0 249.270 1.062 20 5 BDBDRO C[C@@H](CO)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000282865338 385791853 /nfs/dbraw/zinc/79/18/53/385791853.db2.gz UDLVSIOKRAJILH-ZETCQYMHSA-N 1 0 230.289 1.469 20 5 BDBDRO C[C@@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000151260363 386493568 /nfs/dbraw/zinc/49/35/68/386493568.db2.gz ZKCZVIBHVHJVTL-MWLCHTKSSA-N 1 0 238.291 1.570 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1C[C@@H](O)C1 ZINC000294765993 386498028 /nfs/dbraw/zinc/49/80/28/386498028.db2.gz FMBCUOSSPFMXOZ-OIWRZFCRSA-N 1 0 248.282 1.721 20 5 BDBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[NH2+]1 ZINC000053255351 386559929 /nfs/dbraw/zinc/55/99/29/386559929.db2.gz QDFUIRHEAHRVOW-QMMMGPOBSA-N 1 0 222.248 1.154 20 5 BDBDRO C[C@@H]([NH2+]C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035115415 387043252 /nfs/dbraw/zinc/04/32/52/387043252.db2.gz NHQNKNHXBZGXPA-DTWKUNHWSA-N 1 0 224.260 1.626 20 5 BDBDRO O=[N+]([O-])c1ccnn1CCC[NH+]1CCCCC1 ZINC000191823797 387151837 /nfs/dbraw/zinc/15/18/37/387151837.db2.gz NIIHSBURPKKUCC-UHFFFAOYSA-N 1 0 238.291 1.667 20 5 BDBDRO [NH3+]C[C@@H](NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414813675 387231726 /nfs/dbraw/zinc/23/17/26/387231726.db2.gz YPFJLVXZOZBJOT-GFCCVEGCSA-N 1 0 235.287 1.422 20 5 BDBDRO Cc1ccnc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000168967848 387375006 /nfs/dbraw/zinc/37/50/06/387375006.db2.gz BIEAMCPGLJORSZ-VIFPVBQESA-N 1 0 238.291 1.660 20 5 BDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000346695218 387383675 /nfs/dbraw/zinc/38/36/75/387383675.db2.gz YZJFRAAOTDIGQE-WDEREUQCSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@@H](CN(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000168696313 387581258 /nfs/dbraw/zinc/58/12/58/387581258.db2.gz DVCWFSHUMPPQEE-JTQLQIEISA-N 1 0 237.303 1.635 20 5 BDBDRO C[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414940375 387615176 /nfs/dbraw/zinc/61/51/76/387615176.db2.gz ZVAMSEODRKEZJZ-SSDOTTSWSA-N 1 0 243.694 1.685 20 5 BDBDRO O=[N+]([O-])c1cc(CN[C@H]2CCC[NH2+]C2)cs1 ZINC000414859337 387564943 /nfs/dbraw/zinc/56/49/43/387564943.db2.gz AREVQZRPSYAGAN-VIFPVBQESA-N 1 0 241.316 1.498 20 5 BDBDRO C[C@@H]([NH3+])[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000415015412 387664906 /nfs/dbraw/zinc/66/49/06/387664906.db2.gz YRWRVGDPHUOHKO-RNFRBKRXSA-N 1 0 229.305 1.482 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+]2CCC1CC2 ZINC000302778637 387994534 /nfs/dbraw/zinc/99/45/34/387994534.db2.gz QCTQYNDZIKGPBD-UHFFFAOYSA-N 1 0 248.286 1.274 20 5 BDBDRO [NH3+]C[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000131999307 388354113 /nfs/dbraw/zinc/35/41/13/388354113.db2.gz KFUXMAGCMGVJOB-SECBINFHSA-N 1 0 239.250 1.661 20 5 BDBDRO C[C@H]([NH3+])CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000442665425 388359209 /nfs/dbraw/zinc/35/92/09/388359209.db2.gz ZSGOJQNVLLJLGR-VIFPVBQESA-N 1 0 235.287 1.300 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000132521432 388360731 /nfs/dbraw/zinc/36/07/31/388360731.db2.gz WVOUVLJZENPUMG-ZJUUUORDSA-N 1 0 248.286 1.321 20 5 BDBDRO C[NH2+]CCCOc1c(F)cccc1[N+](=O)[O-] ZINC000163028753 388368775 /nfs/dbraw/zinc/36/87/75/388368775.db2.gz UOEDKEAYJOIXEH-UHFFFAOYSA-N 1 0 228.223 1.722 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](O)C1 ZINC000271114079 388373372 /nfs/dbraw/zinc/37/33/72/388373372.db2.gz VOYXZLJJQZSHPZ-PYEVWLCESA-N 1 0 248.282 1.675 20 5 BDBDRO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000133747691 388389315 /nfs/dbraw/zinc/38/93/15/388389315.db2.gz QTLJDUBJWNGNNQ-JGVFFNPUSA-N 1 0 237.259 1.517 20 5 BDBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1 ZINC000271587764 388393307 /nfs/dbraw/zinc/39/33/07/388393307.db2.gz FUDNUBJDPQKJMI-NSHDSACASA-N 1 0 239.275 1.371 20 5 BDBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])cn1 ZINC000301614840 388600903 /nfs/dbraw/zinc/60/09/03/388600903.db2.gz UVHKORXFAVLKET-UHFFFAOYSA-N 1 0 227.289 1.644 20 5 BDBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CO1 ZINC000401826772 388610846 /nfs/dbraw/zinc/61/08/46/388610846.db2.gz BPIYOBACCNWVEX-MWLCHTKSSA-N 1 0 236.271 1.862 20 5 BDBDRO C[NH2+][C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000123226303 388637261 /nfs/dbraw/zinc/63/72/61/388637261.db2.gz IRLVLFHMSSETLW-GFCCVEGCSA-N 1 0 249.314 1.697 20 5 BDBDRO C[C@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449060401 388746663 /nfs/dbraw/zinc/74/66/63/388746663.db2.gz FOBMLRUYMXKVAI-UWVGGRQHSA-N 1 0 238.287 1.496 20 5 BDBDRO Cc1c(CN[C@H](C)C2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423072836 388687988 /nfs/dbraw/zinc/68/79/88/388687988.db2.gz KABGFLZSOJVJPY-SNVBAGLBSA-N 1 0 249.314 1.601 20 5 BDBDRO C[C@H](NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423231430 388689454 /nfs/dbraw/zinc/68/94/54/388689454.db2.gz GSLWSCMLQBATLF-CMPLNLGQSA-N 1 0 249.314 1.997 20 5 BDBDRO CC[NH2+]CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423248506 388690103 /nfs/dbraw/zinc/69/01/03/388690103.db2.gz QUYPTYCWGUCLBT-SNVBAGLBSA-N 1 0 237.303 1.855 20 5 BDBDRO C[C@@H](NCC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423307014 388691832 /nfs/dbraw/zinc/69/18/32/388691832.db2.gz UXZMDEHRTMGBRC-SECBINFHSA-N 1 0 235.287 1.465 20 5 BDBDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000424314125 388696387 /nfs/dbraw/zinc/69/63/87/388696387.db2.gz KKZKYQSQCNLTMN-GGZOMVNGSA-N 1 0 236.271 1.769 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2nnc[nH]2)c1 ZINC000080573117 388711279 /nfs/dbraw/zinc/71/12/79/388711279.db2.gz IXQKLOAZTSYWEI-UHFFFAOYSA-N 1 0 247.258 1.045 20 5 BDBDRO Cc1ccnc(NCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000070495823 388730302 /nfs/dbraw/zinc/73/03/02/388730302.db2.gz NADYKVYEJWSDEV-UHFFFAOYSA-N 1 0 238.291 1.662 20 5 BDBDRO CC[C@@H](CCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000125774623 388806433 /nfs/dbraw/zinc/80/64/33/388806433.db2.gz XFTOYDHOYRLBLT-VIFPVBQESA-N 1 0 244.316 1.907 20 5 BDBDRO Cc1cc(=O)n(C[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000330873311 388761599 /nfs/dbraw/zinc/76/15/99/388761599.db2.gz HWSOVTCAPZFSJE-VIFPVBQESA-N 1 0 239.275 1.015 20 5 BDBDRO Cc1cc(N2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000041030167 132296647 /nfs/dbraw/zinc/29/66/47/132296647.db2.gz VASMGBNCQPAOAN-JTQLQIEISA-N 1 0 235.287 1.831 20 5 BDBDRO [NH3+]C[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000044532044 132354244 /nfs/dbraw/zinc/35/42/44/132354244.db2.gz AVZWTFPKYYXVSX-SECBINFHSA-N 1 0 236.275 1.165 20 5 BDBDRO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[NH2+]C1 ZINC000088134527 133550500 /nfs/dbraw/zinc/55/05/00/133550500.db2.gz OGCMPJYESXGULW-SSDOTTSWSA-N 1 0 225.223 1.508 20 5 BDBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cn1 ZINC000260212356 135147830 /nfs/dbraw/zinc/14/78/30/135147830.db2.gz UUIKFESLCFWYPL-UHFFFAOYSA-N 1 0 224.264 1.400 20 5 BDBDRO C[C@H]1[C@H]([NH3+])CCN1Cc1ccccc1[N+](=O)[O-] ZINC000261541568 135182187 /nfs/dbraw/zinc/18/21/87/135182187.db2.gz BJDABNQLDPJQOZ-GXSJLCMTSA-N 1 0 235.287 1.516 20 5 BDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000261563501 135205130 /nfs/dbraw/zinc/20/51/30/135205130.db2.gz GXYVPQQSTPMVTF-FBIMIBRVSA-N 1 0 248.286 1.163 20 5 BDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@H]12 ZINC000261564341 135206252 /nfs/dbraw/zinc/20/62/52/135206252.db2.gz HGZQPXPVTOINFE-DVVUODLYSA-N 1 0 248.286 1.163 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000261570903 135213401 /nfs/dbraw/zinc/21/34/01/135213401.db2.gz KSADWISXYJLEBV-LBPRGKRZSA-N 1 0 248.286 1.180 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000261577454 135219039 /nfs/dbraw/zinc/21/90/39/135219039.db2.gz OJVXZLDANAKKRW-GFCCVEGCSA-N 1 0 248.286 1.180 20 5 BDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261582433 135223238 /nfs/dbraw/zinc/22/32/38/135223238.db2.gz RFABCGZOVCRCGW-GZMMTYOYSA-N 1 0 249.270 1.157 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261582238 135223446 /nfs/dbraw/zinc/22/34/46/135223446.db2.gz RBBPGUUOWBJZKL-UWVGGRQHSA-N 1 0 248.286 1.036 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000261590929 135231167 /nfs/dbraw/zinc/23/11/67/135231167.db2.gz UWASHDXBFVUCTD-BQBZGAKWSA-N 1 0 227.239 1.882 20 5 BDBDRO [NH3+][C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000346630513 135944228 /nfs/dbraw/zinc/94/42/28/135944228.db2.gz CMBJLIZPIDIVGI-FHMRSRPSSA-N 1 0 247.298 1.641 20 5 BDBDRO O=[N+]([O-])c1ccnn1CCC[NH+]1CCCC1 ZINC000195035769 398130229 /nfs/dbraw/zinc/13/02/29/398130229.db2.gz WIOXTNGCJQRZLG-UHFFFAOYSA-N 1 0 224.264 1.277 20 5 BDBDRO CCNC(=[NH2+])NCCc1ccc([N+](=O)[O-])cc1 ZINC000052043335 170041384 /nfs/dbraw/zinc/04/13/84/170041384.db2.gz OWZLMXXPSUVCNZ-UHFFFAOYSA-N 1 0 236.275 1.271 20 5 BDBDRO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000058233547 172343164 /nfs/dbraw/zinc/34/31/64/172343164.db2.gz UNDRFPQQKCHXEF-VIFPVBQESA-N 1 0 249.270 1.029 20 5 BDBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000270868888 172410546 /nfs/dbraw/zinc/41/05/46/172410546.db2.gz NHNZJLOOWNQJLU-UHFFFAOYSA-N 1 0 239.250 1.484 20 5 BDBDRO C[N@@H+]1CC[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000037647735 173116742 /nfs/dbraw/zinc/11/67/42/173116742.db2.gz HYHZYNZTYYMIOG-VIFPVBQESA-N 1 0 236.275 1.353 20 5 BDBDRO CN1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000042546036 173154035 /nfs/dbraw/zinc/15/40/35/173154035.db2.gz BZBBMCWKPFASHM-VIFPVBQESA-N 1 0 241.316 1.450 20 5 BDBDRO C[N@@H+]1CC[C@H](Nc2cc([N+](=O)[O-])ccn2)C1 ZINC000043568057 173154588 /nfs/dbraw/zinc/15/45/88/173154588.db2.gz CPBFVZHQPKRQMJ-QMMMGPOBSA-N 1 0 222.248 1.106 20 5 BDBDRO C[NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1C ZINC000271728831 173320067 /nfs/dbraw/zinc/32/00/67/173320067.db2.gz MOEPRAOWYWCDAM-UHFFFAOYSA-N 1 0 238.291 1.708 20 5 BDBDRO C[NH2+]CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000019474926 173334069 /nfs/dbraw/zinc/33/40/69/173334069.db2.gz UVFABURVFIYURJ-UHFFFAOYSA-N 1 0 223.232 1.061 20 5 BDBDRO C[NH2+]CCN(C)c1c(Cl)cccc1[N+](=O)[O-] ZINC000234371308 173353592 /nfs/dbraw/zinc/35/35/92/173353592.db2.gz JIMYRKRZCWUVNU-UHFFFAOYSA-N 1 0 243.694 1.904 20 5 BDBDRO C[NH2+]CCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000104131488 173356892 /nfs/dbraw/zinc/35/68/92/173356892.db2.gz PSNJDPRAHZEAGP-UHFFFAOYSA-N 1 0 243.238 1.374 20 5 BDBDRO C[NH2+]CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000054244822 173357037 /nfs/dbraw/zinc/35/70/37/173357037.db2.gz PEBUHBBASOLKMR-UHFFFAOYSA-N 1 0 246.270 1.774 20 5 BDBDRO C[NH2+]C[C@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000133295349 173381025 /nfs/dbraw/zinc/38/10/25/173381025.db2.gz QSUQLOGOIXGYRN-SNVBAGLBSA-N 1 0 235.287 1.783 20 5 BDBDRO COc1cc(N(C)C2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000090290623 174995310 /nfs/dbraw/zinc/99/53/10/174995310.db2.gz UTSCOFBDDSDVLT-UHFFFAOYSA-N 1 0 237.259 1.011 20 5 BDBDRO COc1cc(NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000111045287 175001242 /nfs/dbraw/zinc/00/12/42/175001242.db2.gz YUCIMKQMUQQSIR-UHFFFAOYSA-N 1 0 239.275 1.754 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000266547843 176025936 /nfs/dbraw/zinc/02/59/36/176025936.db2.gz SIDSGPUHGLAOAT-NSHDSACASA-N 1 0 249.314 1.903 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235333898 176026943 /nfs/dbraw/zinc/02/69/43/176026943.db2.gz FAQKFBHLVXCHQD-SCVCMEIPSA-N 1 0 249.314 1.935 20 5 BDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000123193210 177186310 /nfs/dbraw/zinc/18/63/10/177186310.db2.gz OPORJVWOOICZDP-AOOOYVTPSA-N 1 0 238.291 1.664 20 5 BDBDRO O=[N+]([O-])c1cnn(CCC2CC[NH2+]CC2)c1 ZINC000157618480 323070083 /nfs/dbraw/zinc/07/00/83/323070083.db2.gz LCQXBDULDKGZON-UHFFFAOYSA-N 1 0 224.264 1.181 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)O ZINC000131173188 325123194 /nfs/dbraw/zinc/12/31/94/325123194.db2.gz DMXKFJXSNALMOW-ZJUUUORDSA-N 1 0 238.287 1.935 20 5 BDBDRO Cc1c(C[N@@H+](C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000051822056 488049256 /nfs/dbraw/zinc/04/92/56/488049256.db2.gz ZKGXZFCWVIHSFI-SECBINFHSA-N 1 0 238.287 1.716 20 5 BDBDRO CC[C@@H](CCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000123852080 488151291 /nfs/dbraw/zinc/15/12/91/488151291.db2.gz WNZKCPXAKABCRZ-NSHDSACASA-N 1 0 238.287 1.845 20 5 BDBDRO C[NH2+][C@@H](C)CNc1c(C)cccc1[N+](=O)[O-] ZINC000261592812 536344077 /nfs/dbraw/zinc/34/40/77/536344077.db2.gz WDWKFTBNYFYBSW-VIFPVBQESA-N 1 0 223.276 1.923 20 5 BDBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000902652644 584651625 /nfs/dbraw/zinc/65/16/25/584651625.db2.gz VZNYNFWMJKQIKG-UWVGGRQHSA-N 1 0 236.275 1.623 20 5 BDBDRO CC(C)C[NH+](CC[N+](=O)[O-])CC(C)C ZINC000791054855 585973184 /nfs/dbraw/zinc/97/31/84/585973184.db2.gz ZYYZICCARNLYAV-UHFFFAOYSA-N 1 0 202.298 1.877 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000791053531 585973222 /nfs/dbraw/zinc/97/32/22/585973222.db2.gz TWOOJHMOLGDKMI-NXEZZACHSA-N 1 0 230.333 1.623 20 5 BDBDRO [NH3+]CCN(CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000809735223 586515391 /nfs/dbraw/zinc/51/53/91/586515391.db2.gz WBOAAGLTZUSTJQ-UHFFFAOYSA-N 1 0 235.287 1.770 20 5 BDBDRO C[C@@H](N[C@@H](C)C[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817969639 586856546 /nfs/dbraw/zinc/85/65/46/586856546.db2.gz FQXKAJWAXJNRPS-JGVFFNPUSA-N 1 0 238.291 1.175 20 5 BDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CC2)c1 ZINC000818947790 586916451 /nfs/dbraw/zinc/91/64/51/586916451.db2.gz KEZRFGGDLBVBNW-LBPRGKRZSA-N 1 0 236.271 1.628 20 5 BDBDRO [NH3+]CCCCCCCn1cnc([N+](=O)[O-])c1 ZINC000830305374 587545359 /nfs/dbraw/zinc/54/53/59/587545359.db2.gz MKLGILWRMWHOPF-UHFFFAOYSA-N 1 0 226.280 1.701 20 5 BDBDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC000864454021 589365927 /nfs/dbraw/zinc/36/59/27/589365927.db2.gz RQNBZEIKTTUHCW-SCZZXKLOSA-N 1 0 248.286 1.617 20 5 BDBDRO Cc1cnc(N2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000131999962 591682814 /nfs/dbraw/zinc/68/28/14/591682814.db2.gz WNIQCFYBEYTKLD-VIFPVBQESA-N 1 0 236.275 1.226 20 5 BDBDRO C[C@@H]([NH2+]CCF)c1ccc(N)c([N+](=O)[O-])c1 ZINC000309263353 631980839 /nfs/dbraw/zinc/98/08/39/631980839.db2.gz IRKYIJAUDHFULU-SSDOTTSWSA-N 1 0 227.239 1.797 20 5 BDBDRO C[C@@H]1CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000309784555 633735615 /nfs/dbraw/zinc/73/56/15/633735615.db2.gz NRFXADZKMBKWIB-PSASIEDQSA-N 1 0 224.264 1.179 20 5 BDBDRO CN(CC[NH3+])c1ccc(F)cc1[N+](=O)[O-] ZINC000054419490 636635654 /nfs/dbraw/zinc/63/56/54/636635654.db2.gz ICVWARRRYWPDOQ-UHFFFAOYSA-N 1 0 213.212 1.129 20 5 BDBDRO Cc1c(C[NH2+][C@H]2CCN(C)C2)cccc1[N+](=O)[O-] ZINC000042546752 637281681 /nfs/dbraw/zinc/28/16/81/637281681.db2.gz COKUGSOGPVGCJR-LBPRGKRZSA-N 1 0 249.314 1.697 20 5 BDBDRO Cc1ccc(C[NH2+]CCCON)cc1[N+](=O)[O-] ZINC000904455995 637417523 /nfs/dbraw/zinc/41/75/23/637417523.db2.gz DDUQCPIEJIDBBZ-UHFFFAOYSA-N 1 0 239.275 1.273 20 5 BDBDRO Cc1cccc(OCC[NH2+]CC[N+](=O)[O-])c1 ZINC000905028942 637576901 /nfs/dbraw/zinc/57/69/01/637576901.db2.gz UYMGRFCYTZSWRC-UHFFFAOYSA-N 1 0 224.260 1.240 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000905071693 637604456 /nfs/dbraw/zinc/60/44/56/637604456.db2.gz PRCBGEIBZIQYFB-GHMZBOCLSA-N 1 0 224.235 1.548 20 5 BDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])Oc1ccccc1 ZINC000905116253 637621067 /nfs/dbraw/zinc/62/10/67/637621067.db2.gz BQQYFGKBRNWLLL-SNVBAGLBSA-N 1 0 224.260 1.320 20 5 BDBDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905152372 637635991 /nfs/dbraw/zinc/63/59/91/637635991.db2.gz BWJOFKKLQHVVSN-WDEREUQCSA-N 1 0 230.308 1.304 20 5 BDBDRO CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905127268 637642835 /nfs/dbraw/zinc/64/28/35/637642835.db2.gz JXZBNPLOMSZZRD-MNOVXSKESA-N 1 0 244.335 1.694 20 5 BDBDRO CS[C@@H]1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905132897 637643445 /nfs/dbraw/zinc/64/34/45/637643445.db2.gz BZQLRQXHKCPPGK-HTQZYQBOSA-N 1 0 204.295 1.137 20 5 BDBDRO C[C@H]1CC([NH2+]CC[N+](=O)[O-])C[C@H](C)C1 ZINC000905138717 637649802 /nfs/dbraw/zinc/64/98/02/637649802.db2.gz VPUMBFBPFZEZKU-RKDXNWHRSA-N 1 0 200.282 1.677 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1cccc2[nH]ccc21 ZINC000905246917 637707845 /nfs/dbraw/zinc/70/78/45/637707845.db2.gz KDHROAXFKTZWLA-UHFFFAOYSA-N 1 0 233.271 1.577 20 5 BDBDRO CC[C@@H]1CCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905272267 637730116 /nfs/dbraw/zinc/73/01/16/637730116.db2.gz GMAOOYWPBFQMJA-ZJUUUORDSA-N 1 0 200.282 1.679 20 5 BDBDRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905362538 637788243 /nfs/dbraw/zinc/78/82/43/637788243.db2.gz UYFTXMIRSICIJX-CMPLNLGQSA-N 1 0 238.287 1.365 20 5 BDBDRO CO[C@H](C[NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000905379261 637793526 /nfs/dbraw/zinc/79/35/26/637793526.db2.gz BRUHFRFZCJSOIM-LLVKDONJSA-N 1 0 230.308 1.448 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1nc2c(s1)CCC2 ZINC000905567663 637848974 /nfs/dbraw/zinc/84/89/74/637848974.db2.gz FUJNBKNQEKXGLV-UHFFFAOYSA-N 1 0 241.316 1.041 20 5 BDBDRO C[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CCS1 ZINC000905608488 637854272 /nfs/dbraw/zinc/85/42/72/637854272.db2.gz MUYVLKFXKLFJRJ-JGVFFNPUSA-N 1 0 204.295 1.137 20 5 BDBDRO C[C@@H](C[NH2+]C[C@H](C)O)c1ccccc1[N+](=O)[O-] ZINC000905642262 637880004 /nfs/dbraw/zinc/88/00/04/637880004.db2.gz GRNRSFHXICJAFB-UWVGGRQHSA-N 1 0 238.287 1.669 20 5 BDBDRO CSC[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930557720 639811118 /nfs/dbraw/zinc/81/11/18/639811118.db2.gz CHFKZMFYVYTKMP-VIFPVBQESA-N 1 0 218.322 1.338 20 5 BDBDRO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])C1(CO)CCC1 ZINC000930585163 639814541 /nfs/dbraw/zinc/81/45/41/639814541.db2.gz FAPSIDCIOBMAQL-SNVBAGLBSA-N 1 0 230.308 1.040 20 5 BDBDRO CCO[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C12CCC2 ZINC000930627430 639827957 /nfs/dbraw/zinc/82/79/57/639827957.db2.gz HLLKBGCSGGZCPF-ZJUUUORDSA-N 1 0 228.292 1.200 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000930824577 639926118 /nfs/dbraw/zinc/92/61/18/639926118.db2.gz DSMGOQZPKQITHN-LLVKDONJSA-N 1 0 212.293 1.918 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000931022597 640026109 /nfs/dbraw/zinc/02/61/09/640026109.db2.gz YFTZUSVPDZMRCZ-LBPRGKRZSA-N 1 0 242.319 1.544 20 5 BDBDRO CC[NH+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351098 641039928 /nfs/dbraw/zinc/03/99/28/641039928.db2.gz MFSKAOAOCZYRLH-LBPRGKRZSA-N 1 0 238.287 1.970 20 5 BDBDRO Cc1c(C[NH2+]CCF)cccc1[N+](=O)[O-] ZINC000231885863 641215436 /nfs/dbraw/zinc/21/54/36/641215436.db2.gz AKJRZMWEPHGREO-UHFFFAOYSA-N 1 0 212.224 1.962 20 5 BDBDRO CN(CC[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000054417742 641612769 /nfs/dbraw/zinc/61/27/69/641612769.db2.gz SMNIEMIOLGQXGX-UHFFFAOYSA-N 1 0 238.247 1.017 20 5 BDBDRO COCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000187613004 641716601 /nfs/dbraw/zinc/71/66/01/641716601.db2.gz PBXMEPZCSBYOEK-UHFFFAOYSA-N 1 0 244.678 1.984 20 5 BDBDRO O=[N+]([O-])c1nccn1CCC[NH+]1CCCCC1 ZINC000918378154 642192751 /nfs/dbraw/zinc/19/27/51/642192751.db2.gz OHAUVABCBYPFKV-UHFFFAOYSA-N 1 0 238.291 1.667 20 5 BDBDRO CC[C@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000083370119 643440232 /nfs/dbraw/zinc/44/02/32/643440232.db2.gz YWCNZVDYTBQJBG-SNVBAGLBSA-N 1 0 242.250 1.594 20 5 BDBDRO [NH3+]C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000050245176 643655893 /nfs/dbraw/zinc/65/58/93/643655893.db2.gz QCBICSGRJOIPKR-NSHDSACASA-N 1 0 235.287 1.375 20 5 BDBDRO CCCO[C@H]1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000929603086 646195288 /nfs/dbraw/zinc/19/52/88/646195288.db2.gz BUHMIKCSRGXHSV-NSHDSACASA-N 1 0 230.308 1.544 20 5 BDBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CC[N+](=O)[O-] ZINC000930034432 646404700 /nfs/dbraw/zinc/40/47/00/646404700.db2.gz AUCUKZRPLYNXDA-WDEREUQCSA-N 1 0 244.335 1.789 20 5 BDBDRO C[C@H]1CCC[C@@](CNCC[N+](=O)[O-])([NH+](C)C)C1 ZINC000899872619 711803765 /nfs/dbraw/zinc/80/37/65/711803765.db2.gz CQADIYSSFBXOQZ-NWDGAFQWSA-N 1 0 243.351 1.363 20 5 BDBDRO COC(C)(C)CN(C)Cn1cc([N+](=O)[O-])cn1 ZINC000758405104 712408629 /nfs/dbraw/zinc/40/86/29/712408629.db2.gz LUJNDXZFUKIOEB-UHFFFAOYSA-N 1 0 242.279 1.106 20 5 BDBDRO CC[NH+](CC)CCNc1c([N+](=O)[O-])cnn1C ZINC000891390643 711509885 /nfs/dbraw/zinc/50/98/85/711509885.db2.gz PEKWLFLJRJBGCW-UHFFFAOYSA-N 1 0 241.295 1.082 20 5 BDBDRO O=[N+]([O-])CCN1CCC([NH+]2CCCCC2)CC1 ZINC000791054667 711765670 /nfs/dbraw/zinc/76/56/70/711765670.db2.gz XOXGJVQGPDMMBO-UHFFFAOYSA-N 1 0 241.335 1.213 20 5 BDBDRO Cc1c(NC(=O)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000037608284 711880507 /nfs/dbraw/zinc/88/05/07/711880507.db2.gz HEVNAYXLSKRSJV-SSDOTTSWSA-N 1 0 237.259 1.579 20 5 BDBDRO CN1CC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000712561992 712446002 /nfs/dbraw/zinc/44/60/02/712446002.db2.gz GOHNCICHDNVAKE-SECBINFHSA-N 1 0 241.316 1.450 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000715093762 712508108 /nfs/dbraw/zinc/50/81/08/712508108.db2.gz CDZRVJBCFHSSJH-PSASIEDQSA-N 1 0 249.270 1.437 20 5 BDBDRO Cc1ccc([C@H](C)NCC[NH3+])cc1[N+](=O)[O-] ZINC000037712674 712744773 /nfs/dbraw/zinc/74/47/73/712744773.db2.gz ARIQXSBWROQQNO-VIFPVBQESA-N 1 0 223.276 1.513 20 5 BDBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@@H+]1C ZINC000719570966 712810863 /nfs/dbraw/zinc/81/08/63/712810863.db2.gz FJOJTNOCKDIULW-PSASIEDQSA-N 1 0 236.275 1.494 20 5 BDBDRO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000719572884 712811107 /nfs/dbraw/zinc/81/11/07/712811107.db2.gz VQFXNQKSMPPPBD-NKWVEPMBSA-N 1 0 242.304 1.556 20 5 BDBDRO C[C@H]1[C@@H](Nc2cccnc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719575845 712811651 /nfs/dbraw/zinc/81/16/51/712811651.db2.gz QOUOXKRUYOKRTI-IUCAKERBSA-N 1 0 236.275 1.494 20 5 BDBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000720814983 712868403 /nfs/dbraw/zinc/86/84/03/712868403.db2.gz AAYWEGHMQNQCGX-LBPRGKRZSA-N 1 0 249.314 1.764 20 5 BDBDRO CC1(C)CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000720820037 712868411 /nfs/dbraw/zinc/86/84/11/712868411.db2.gz 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/nfs/dbraw/zinc/32/41/66/969324166.db2.gz WIWUMURQEFVJRQ-WCBMZHEXSA-N 1 0 225.248 1.210 20 5 BDBDRO COC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC1 ZINC001168997511 969327737 /nfs/dbraw/zinc/32/77/37/969327737.db2.gz CUJUOPPAAKKGBT-USWWRNFRSA-N 1 0 242.319 1.446 20 5 BDBDRO CC1(C)C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169005275 969331650 /nfs/dbraw/zinc/33/16/50/969331650.db2.gz AFLCXKGKKQBEJB-NXEZZACHSA-N 1 0 212.293 1.774 20 5 BDBDRO C[C@@H]1C[C@@H](F)C[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007092 969331660 /nfs/dbraw/zinc/33/16/60/969331660.db2.gz KVHUJMKCZUWWNC-YTWAJWBKSA-N 1 0 230.283 1.864 20 5 BDBDRO CC[N@H+](C1CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005750 969329273 /nfs/dbraw/zinc/32/92/73/969329273.db2.gz CRFXQDVSBLBLRC-MWLCHTKSSA-N 1 0 212.293 1.916 20 5 BDBDRO CCCOC1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169021904 969362401 /nfs/dbraw/zinc/36/24/01/969362401.db2.gz BAGKUBYBKXRXDQ-GHMZBOCLSA-N 1 0 242.319 1.543 20 5 BDBDRO 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VAVYTQUGYVWTQX-VWYCJHECSA-N 1 0 228.292 1.153 20 5 BDBDRO Cc1[nH+]cc(Nc2ccc(N)c([N+](=O)[O-])c2)n1C ZINC001209934144 969696399 /nfs/dbraw/zinc/69/63/99/969696399.db2.gz JVKUGCJFXSBAFP-UHFFFAOYSA-N 1 0 247.258 1.963 20 5 BDBDRO COCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568962 969741018 /nfs/dbraw/zinc/74/10/18/969741018.db2.gz XHAUOLXNLDEXQE-NSHDSACASA-N 1 0 236.271 1.298 20 5 BDBDRO COc1ccnc(-n2ccc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001169716290 969829560 /nfs/dbraw/zinc/82/95/60/969829560.db2.gz GVTKQMSIWFFBEX-UHFFFAOYSA-N 1 0 248.242 1.248 20 5 BDBDRO C[NH2+]CCNc1cc(Cl)ncc1[N+](=O)[O-] ZINC001156892304 970024550 /nfs/dbraw/zinc/02/45/50/970024550.db2.gz WLLPVICKLTWLSV-UHFFFAOYSA-N 1 0 230.655 1.275 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCc1cncn1C ZINC001222601201 972605770 /nfs/dbraw/zinc/60/57/70/972605770.db2.gz ZNJQTDQZWNBJPT-JTQLQIEISA-N 1 0 212.317 1.031 20 5 BDBDRO COc1cccc(CO[C@H](C)C[N+](C)(C)C)n1 ZINC001223468692 973084879 /nfs/dbraw/zinc/08/48/79/973084879.db2.gz SDLGYLGUNYVMJB-LLVKDONJSA-N 1 0 239.339 1.702 20 5 BDBDRO COc1cc(CO[C@H](C)C[N+](C)(C)C)ccn1 ZINC001223475202 973090820 /nfs/dbraw/zinc/09/08/20/973090820.db2.gz GZSKNXUUGBLWSG-LLVKDONJSA-N 1 0 239.339 1.702 20 5 BDBDRO CO[C@@H](C)CO[C@H](C)COCCC[N+](C)(C)C ZINC001224620717 973802135 /nfs/dbraw/zinc/80/21/35/973802135.db2.gz BPJIGAXEZNPZEG-QWHCGFSZSA-N 1 0 248.387 1.539 20 5 BDBDRO CCOC(=O)[C@@H](CC)OCCC[N+](C)(C)C ZINC001224621972 973804427 /nfs/dbraw/zinc/80/44/27/973804427.db2.gz DOTZTJPTFFOAFB-LLVKDONJSA-N 1 0 232.344 1.441 20 5 BDBDRO CCCOC(=O)[C@H](C)OCC[N+](C)(C)C ZINC001224772027 973937636 /nfs/dbraw/zinc/93/76/36/973937636.db2.gz VZUCWJMDUGAGAA-JTQLQIEISA-N 1 0 218.317 1.051 20 5 BDBDRO O=[N+]([O-])C[C@@H](OCCC[NH+]1CCCC1)C1CC1 ZINC001224745045 973903521 /nfs/dbraw/zinc/90/35/21/973903521.db2.gz VAPRCWDDMDDPLR-GFCCVEGCSA-N 1 0 242.319 1.544 20 5 BDBDRO C[N+](C)(C)CCOC[C@@H]1CCCCO1 ZINC001224776760 973944552 /nfs/dbraw/zinc/94/45/52/973944552.db2.gz ZLTJZYLVQCVUMM-NSHDSACASA-N 1 0 202.318 1.278 20 5 BDBDRO CCOC(=O)/C=C(\C)CO[C@@H](C)C[N+](C)(C)C ZINC001224781614 973948194 /nfs/dbraw/zinc/94/81/94/973948194.db2.gz UELXYJBKQAGCOM-OBIHZWKSSA-N 1 0 244.355 1.607 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cnc(Cl)nc1 ZINC001225376631 974455718 /nfs/dbraw/zinc/45/57/18/974455718.db2.gz CIZNNZDXSAOGRS-MRVPVSSYSA-N 1 0 230.719 1.604 20 5 BDBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)cc(=O)n1C ZINC001225533537 974543780 /nfs/dbraw/zinc/54/37/80/974543780.db2.gz KKEIQGOOUDDOLG-LLVKDONJSA-N 1 0 239.339 1.167 20 5 BDBDRO C[N@@H+]1CC[C@@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225591343 974578274 /nfs/dbraw/zinc/57/82/74/974578274.db2.gz XBIVUZDJGZHDDZ-MRVPVSSYSA-N 1 0 223.232 1.073 20 5 BDBDRO C[C@H](C[NH+](C)C)Oc1cccnc1[N+](=O)[O-] ZINC001225629114 974605627 /nfs/dbraw/zinc/60/56/27/974605627.db2.gz DYYLVERAFSKNBO-MRVPVSSYSA-N 1 0 225.248 1.319 20 5 BDBDRO Cc1cc(O[C@H](C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001225664006 974632090 /nfs/dbraw/zinc/63/20/90/974632090.db2.gz WDJVNDIZYARLPB-SECBINFHSA-N 1 0 239.275 1.627 20 5 BDBDRO COc1cccnc1O[C@@H](C)C[N+](C)(C)C ZINC001226141105 974805083 /nfs/dbraw/zinc/80/50/83/974805083.db2.gz GOYSSSOAWUAKNY-JTQLQIEISA-N 1 0 225.312 1.564 20 5 BDBDRO CC[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226710140 975042995 /nfs/dbraw/zinc/04/29/95/975042995.db2.gz MUFDCWLTFZSSRL-JTQLQIEISA-N 1 0 237.259 1.463 20 5 BDBDRO C[C@H](C[NH+](C)C)Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226756998 975060822 /nfs/dbraw/zinc/06/08/22/975060822.db2.gz UDUAWGWAFCSQLD-SSDOTTSWSA-N 1 0 243.238 1.458 20 5 BDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCO ZINC001173216536 975069757 /nfs/dbraw/zinc/06/97/57/975069757.db2.gz LSLFYSPYXIXDGA-VIFPVBQESA-N 1 0 224.260 1.108 20 5 BDBDRO Cc1ccc(O[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001226951280 975181302 /nfs/dbraw/zinc/18/13/02/975181302.db2.gz WXMWQIYBVRQQTG-LLVKDONJSA-N 1 0 236.271 1.986 20 5 BDBDRO Cc1ncc(O[C@@H](C)C[N+](C)(C)C)cn1 ZINC001226955602 975188121 /nfs/dbraw/zinc/18/81/21/975188121.db2.gz BVJLITSIZILNPW-VIFPVBQESA-N 1 0 210.301 1.259 20 5 BDBDRO Cc1c(O[C@H](C)C[N+](C)(C)C)c(=O)ccn1C ZINC001228434921 976211194 /nfs/dbraw/zinc/21/11/94/976211194.db2.gz ITKWYQVTPLGDGL-SNVBAGLBSA-N 1 0 239.339 1.167 20 5 BDBDRO Cc1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])s1 ZINC001334059059 976262410 /nfs/dbraw/zinc/26/24/10/976262410.db2.gz YZIKLRRWMYLYFR-QMMMGPOBSA-N 1 0 214.290 1.984 20 5 BDBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CC[N+](=O)[O-] ZINC001335222811 976889734 /nfs/dbraw/zinc/88/97/34/976889734.db2.gz SCWMLWKWMZLFDG-CMPLNLGQSA-N 1 0 238.287 1.017 20 5 BDBDRO Cc1ncnc(O[C@H](C)C[N+](C)(C)C)c1Cl ZINC001230021322 977078508 /nfs/dbraw/zinc/07/85/08/977078508.db2.gz CNUVRAZVOBRCHO-MRVPVSSYSA-N 1 0 244.746 1.912 20 5 BDBDRO O=[N+]([O-])CCNCCC[NH+]1CCCCCC1 ZINC001336738518 977896432 /nfs/dbraw/zinc/89/64/32/977896432.db2.gz ZJXJHIDMCQHHPJ-UHFFFAOYSA-N 1 0 229.324 1.119 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC001338536076 978703594 /nfs/dbraw/zinc/70/35/94/978703594.db2.gz XLKKPOKMFPDOFY-GHMZBOCLSA-N 1 0 228.292 1.200 20 5 BDBDRO CC[N@@H+]1CC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233856741 978715517 /nfs/dbraw/zinc/71/55/17/978715517.db2.gz FNWGHCQCJDBTKP-SNVBAGLBSA-N 1 0 237.259 1.463 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1CC(=O)N2 ZINC001234114273 978779322 /nfs/dbraw/zinc/77/93/22/978779322.db2.gz DPKUVPJIHCACOJ-JTQLQIEISA-O 1 0 249.334 1.655 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2n[nH]cc2n1 ZINC001234659459 978894086 /nfs/dbraw/zinc/89/40/86/978894086.db2.gz SZCITZVUCCUPPN-SECBINFHSA-N 1 0 235.311 1.431 20 5 BDBDRO Cc1nccc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](C)C1 ZINC001234903378 978928024 /nfs/dbraw/zinc/92/80/24/978928024.db2.gz LVSNPXPKXLEKBN-SECBINFHSA-N 1 0 237.259 1.381 20 5 BDBDRO Cc1cc(NC(=O)C2(C)C[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001342897772 979932110 /nfs/dbraw/zinc/93/21/10/979932110.db2.gz NNMZSFJAJNEKQU-UHFFFAOYSA-N 1 0 249.270 1.451 20 5 BDBDRO CO[C@@H](C)C[N@H+](CC[N+](=O)[O-])C(C)C ZINC001191099612 980968554 /nfs/dbraw/zinc/96/85/54/980968554.db2.gz OMVBLFFTGSBRAP-VIFPVBQESA-N 1 0 204.270 1.008 20 5 BDBDRO CO[C@H](C)C[N@H+](CC[N+](=O)[O-])C(C)C ZINC001191099606 980968861 /nfs/dbraw/zinc/96/88/61/980968861.db2.gz OMVBLFFTGSBRAP-SECBINFHSA-N 1 0 204.270 1.008 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCC(C)(C)CO ZINC001205802462 982537468 /nfs/dbraw/zinc/53/74/68/982537468.db2.gz OMZONLUEPBPKBN-JTQLQIEISA-N 1 0 204.334 1.116 20 5 BDBDRO CC(C)([NH2+]CC[N+](=O)[O-])C1CCOCC1 ZINC001354722988 983351097 /nfs/dbraw/zinc/35/10/97/983351097.db2.gz LXRVNXRCEITGBC-UHFFFAOYSA-N 1 0 216.281 1.058 20 5 BDBDRO C[NH2+]CCNc1cc(C)sc1[N+](=O)[O-] ZINC001578707872 985307950 /nfs/dbraw/zinc/30/79/50/985307950.db2.gz WRJNKWWHKUQUMD-UHFFFAOYSA-N 1 0 215.278 1.596 20 5 BDBDRO Cc1cnc(N[C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001579822251 986243485 /nfs/dbraw/zinc/24/34/85/986243485.db2.gz QVKALVGUKWNSQX-ZKCHVHJHSA-N 1 0 222.248 1.200 20 5 BDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH3+])C1 ZINC001254535788 986675949 /nfs/dbraw/zinc/67/59/49/986675949.db2.gz KXTKHOPKAAEVSZ-ZYHUDNBSSA-N 1 0 249.314 1.559 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]([NH3+])C2)c1 ZINC001515655707 989095781 /nfs/dbraw/zinc/09/57/81/989095781.db2.gz ULMUCSQFLMAWAN-DTORHVGOSA-N 1 0 249.270 1.123 20 5 BDBDRO CCCC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC001119760433 989383462 /nfs/dbraw/zinc/38/34/62/989383462.db2.gz RGOWBIKHVRZVGL-UHFFFAOYSA-N 1 0 200.282 1.775 20 5 BDBDRO CC[NH2+]CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001122511607 990403872 /nfs/dbraw/zinc/40/38/72/990403872.db2.gz WTEZZZBRNRTXJM-UHFFFAOYSA-N 1 0 237.259 1.451 20 5 BDBDRO C[C@@H]([NH3+])CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261492546 992336753 /nfs/dbraw/zinc/33/67/53/992336753.db2.gz JSMHKESUHQZNEM-MRVPVSSYSA-N 1 0 221.260 1.258 20 5 BDBDRO NCC(F)(F)CNc1ccc([N+](=O)[O-])cc1 ZINC000158847733 136214107 /nfs/dbraw/zinc/21/41/07/136214107.db2.gz QODHUOSFNIGUTC-UHFFFAOYSA-N 1 0 231.202 1.601 20 5 BDBDRO Cc1cc(NCCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000073000238 178159087 /nfs/dbraw/zinc/15/90/87/178159087.db2.gz LYBDTCGSNWOZHV-UHFFFAOYSA-N 1 0 238.291 1.662 20 5 BDBDRO Cc1cc(NCCn2cc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000274903700 178162769 /nfs/dbraw/zinc/16/27/69/178162769.db2.gz LSIITVOTFYMTNZ-UHFFFAOYSA-N 1 0 247.258 1.607 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1NCC1([NH3+])CCC1 ZINC000235760823 178273948 /nfs/dbraw/zinc/27/39/48/178273948.db2.gz XCMNJRFIWKFKKP-UHFFFAOYSA-N 1 0 236.275 1.592 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[NH2+]C1 ZINC000052813062 178275296 /nfs/dbraw/zinc/27/52/96/178275296.db2.gz HVTSDXAOFDCSEJ-QMMMGPOBSA-N 1 0 222.248 1.072 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000576570225 365627387 /nfs/dbraw/zinc/62/73/87/365627387.db2.gz KIXZKJTYDFLXQS-PHIMTYICSA-N 1 0 247.298 1.926 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(O)CCC1 ZINC000134517787 342862196 /nfs/dbraw/zinc/86/21/96/342862196.db2.gz FUQNBDVZSLVPFO-UHFFFAOYSA-N 1 0 236.271 1.599 20 5 BDBDRO C[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472358 342935760 /nfs/dbraw/zinc/93/57/60/342935760.db2.gz VTNTYCRHHJXEAF-LURJTMIESA-N 1 0 216.262 1.127 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000061708270 398343659 /nfs/dbraw/zinc/34/36/59/398343659.db2.gz JKOWMDIPYUTDPO-LBPRGKRZSA-N 1 0 236.271 1.204 20 5 BDBDRO O=[N+]([O-])c1cccnc1NCC[NH+]1CCCC1 ZINC000048322189 343242277 /nfs/dbraw/zinc/24/22/77/343242277.db2.gz JIDCELUCUQIPCR-UHFFFAOYSA-N 1 0 236.275 1.498 20 5 BDBDRO C[NH2+][C@@H](C)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000310872560 343589484 /nfs/dbraw/zinc/58/94/84/343589484.db2.gz SWRSPOBQYGNFSU-QMMMGPOBSA-N 1 0 247.258 1.456 20 5 BDBDRO C[C@H]1C[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])cn1 ZINC000216208045 344056029 /nfs/dbraw/zinc/05/60/29/344056029.db2.gz VMZUUCDBQALTOF-DTWKUNHWSA-N 1 0 236.275 1.163 20 5 BDBDRO CN(CCC[NH+](C)C)c1cccnc1[N+](=O)[O-] ZINC000611413968 344533856 /nfs/dbraw/zinc/53/38/56/344533856.db2.gz ZLOCEGLGIDLJDW-UHFFFAOYSA-N 1 0 238.291 1.378 20 5 BDBDRO [NH3+]CCCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000070201633 345475348 /nfs/dbraw/zinc/47/53/48/345475348.db2.gz RWXDCDLGIXPCJZ-UHFFFAOYSA-N 1 0 237.259 1.662 20 5 BDBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000145884785 345711816 /nfs/dbraw/zinc/71/18/16/345711816.db2.gz YNWGNARPAAFMFW-GFCCVEGCSA-N 1 0 236.271 1.816 20 5 BDBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000136363797 346201011 /nfs/dbraw/zinc/20/10/11/346201011.db2.gz HLDZEFHESYKEKD-ZJUUUORDSA-N 1 0 238.287 1.844 20 5 BDBDRO C[NH2+]CCCn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000582120331 347390757 /nfs/dbraw/zinc/39/07/57/347390757.db2.gz PVFPVJMUTZLINB-UHFFFAOYSA-N 1 0 248.286 1.862 20 5 BDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@@H]21 ZINC000590719033 347501049 /nfs/dbraw/zinc/50/10/49/347501049.db2.gz CGXSNKURJRSGBJ-KOLCDFICSA-N 1 0 248.286 1.130 20 5 BDBDRO C[C@@H]([NH3+])CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000591581454 347678884 /nfs/dbraw/zinc/67/88/84/347678884.db2.gz XBQCXFNLXCCUKJ-BDAKNGLRSA-N 1 0 223.276 1.593 20 5 BDBDRO O=[N+]([O-])c1c[nH]c(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000592356993 347772527 /nfs/dbraw/zinc/77/25/27/347772527.db2.gz PGRJFAOSJCFMOP-SSDOTTSWSA-N 1 0 249.230 1.397 20 5 BDBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594994070 348167822 /nfs/dbraw/zinc/16/78/22/348167822.db2.gz DKANQYCNPTVPNL-NEPJUHHUSA-N 1 0 236.271 1.862 20 5 BDBDRO CC[C@@H](C)[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000595592047 348277453 /nfs/dbraw/zinc/27/74/53/348277453.db2.gz AQOZZFUPXLIKOU-SNVBAGLBSA-N 1 0 240.307 1.912 20 5 BDBDRO CC12CC(C1)C[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000595915151 348399845 /nfs/dbraw/zinc/39/98/45/348399845.db2.gz KOXJLAIZLLHDCW-UHFFFAOYSA-N 1 0 236.275 1.276 20 5 BDBDRO CC[C@@H]([NH2+]C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595924000 348401744 /nfs/dbraw/zinc/40/17/44/348401744.db2.gz DONDEHOOCICNKN-SNVBAGLBSA-N 1 0 237.259 1.531 20 5 BDBDRO C[NH+](C)CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596052022 348432862 /nfs/dbraw/zinc/43/28/62/348432862.db2.gz YHHISCOOEIOUSB-UHFFFAOYSA-N 1 0 240.263 1.059 20 5 BDBDRO Cc1cc(NCC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596055418 348434164 /nfs/dbraw/zinc/43/41/64/348434164.db2.gz JQEPOJGJHLWIJT-UHFFFAOYSA-N 1 0 229.305 1.938 20 5 BDBDRO Cc1cc(N2CC([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000596179321 348455290 /nfs/dbraw/zinc/45/52/90/348455290.db2.gz OQUOEIQZLVSBIT-UHFFFAOYSA-N 1 0 241.316 1.715 20 5 BDBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])nc1)[NH+](C)C ZINC000596430869 348545076 /nfs/dbraw/zinc/54/50/76/348545076.db2.gz LDODVYBFWAPOMR-VIFPVBQESA-N 1 0 238.291 1.742 20 5 BDBDRO C[C@@H](O)C1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000597235122 348701392 /nfs/dbraw/zinc/70/13/92/348701392.db2.gz VDTZEQWOUQYFTH-SSDOTTSWSA-N 1 0 242.300 1.659 20 5 BDBDRO C[NH2+]C1(CNc2ncccc2[N+](=O)[O-])CCC1 ZINC000598632182 349005332 /nfs/dbraw/zinc/00/53/32/349005332.db2.gz AGRZXNFICNNRCZ-UHFFFAOYSA-N 1 0 236.275 1.544 20 5 BDBDRO O=[N+]([O-])c1ccc(OCC2C[NH2+]C2)cc1 ZINC000308895724 349055696 /nfs/dbraw/zinc/05/56/96/349055696.db2.gz SGWIUSOYEQMCMI-UHFFFAOYSA-N 1 0 208.217 1.193 20 5 BDBDRO Cc1c(C[NH2+][C@H](C)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000231885607 351434917 /nfs/dbraw/zinc/43/49/17/351434917.db2.gz VEGBMRYUPRUHCW-ZJUUUORDSA-N 1 0 238.287 1.762 20 5 BDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000413054279 191351605 /nfs/dbraw/zinc/35/16/05/191351605.db2.gz PSCYANKEVLIEQU-ZETCQYMHSA-N 1 0 242.254 1.491 20 5 BDBDRO C[C@@H]([NH2+][C@@H](C)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000035149284 355852860 /nfs/dbraw/zinc/85/28/60/355852860.db2.gz BDYUBJBRMAUCNX-SFYZADRCSA-N 1 0 237.259 1.119 20 5 BDBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC[NH3+])n1 ZINC000420287788 192201612 /nfs/dbraw/zinc/20/16/12/192201612.db2.gz RVKRSVVIKXMMSF-UHFFFAOYSA-N 1 0 224.264 1.002 20 5 BDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000037985924 356456421 /nfs/dbraw/zinc/45/64/21/356456421.db2.gz PHMARNVJYHHEJB-QMMMGPOBSA-N 1 0 224.264 1.352 20 5 BDBDRO Cc1cnc(OC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692862 363565556 /nfs/dbraw/zinc/56/55/56/363565556.db2.gz IAKUYELISADKRP-VIFPVBQESA-N 1 0 237.259 1.287 20 5 BDBDRO C[NH2+]CCN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346681064 357134182 /nfs/dbraw/zinc/13/41/82/357134182.db2.gz OEWAKLUWYIPTIC-ALCCZGGFSA-N 1 0 249.314 1.759 20 5 BDBDRO CCO[C@H]1C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000583182639 357510858 /nfs/dbraw/zinc/51/08/58/357510858.db2.gz HVLJWHHDSMSZKA-RYUDHWBXSA-N 1 0 236.271 1.862 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCCC1 ZINC000610655395 358050209 /nfs/dbraw/zinc/05/02/09/358050209.db2.gz NJBHZKMVLAKFFF-UHFFFAOYSA-N 1 0 224.264 1.196 20 5 BDBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000054127825 359398033 /nfs/dbraw/zinc/39/80/33/359398033.db2.gz MAVCEYWTNQKIDC-UHFFFAOYSA-N 1 0 224.264 1.353 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[C@@H]1CC[NH2+]C1 ZINC000578439956 366567747 /nfs/dbraw/zinc/56/77/47/366567747.db2.gz DWCLOZIXCCOMDP-VIFPVBQESA-N 1 0 224.264 1.099 20 5 BDBDRO Cc1c(CN2CC[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000054374324 200805159 /nfs/dbraw/zinc/80/51/59/200805159.db2.gz OCCUOOPPPJXBKA-JTQLQIEISA-N 1 0 249.314 1.697 20 5 BDBDRO [NH3+]C1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000083834048 181329358 /nfs/dbraw/zinc/32/93/58/181329358.db2.gz XNJKIZVCKNACPZ-UHFFFAOYSA-N 1 0 221.216 1.025 20 5 BDBDRO C[C@@H](C[NH+](C)C)Nc1ccncc1[N+](=O)[O-] ZINC000130626308 363837902 /nfs/dbraw/zinc/83/79/02/363837902.db2.gz GAAQSAJPNVNWGF-QMMMGPOBSA-N 1 0 224.264 1.352 20 5 BDBDRO [NH3+]CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000035330337 181398731 /nfs/dbraw/zinc/39/87/31/181398731.db2.gz SQORHQAVSWFHEG-UHFFFAOYSA-N 1 0 249.192 1.984 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nnc[nH]2)cc1 ZINC000080573119 370787948 /nfs/dbraw/zinc/78/79/48/370787948.db2.gz OHDWDIACOFKUHS-UHFFFAOYSA-N 1 0 247.258 1.045 20 5 BDBDRO CC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000124744495 370959009 /nfs/dbraw/zinc/95/90/09/370959009.db2.gz LQEFTGCHOPCJQF-NSHDSACASA-N 1 0 238.287 1.764 20 5 BDBDRO C[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000111302108 370125743 /nfs/dbraw/zinc/12/57/43/370125743.db2.gz QMHPRPSBIYCCMB-SSDOTTSWSA-N 1 0 238.247 1.064 20 5 BDBDRO [NH3+][C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000050243377 181588247 /nfs/dbraw/zinc/58/82/47/181588247.db2.gz HTKVPUQOFQHEPU-SNVBAGLBSA-N 1 0 239.250 1.267 20 5 BDBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH3+])C2)c1 ZINC000155920388 371316494 /nfs/dbraw/zinc/31/64/94/371316494.db2.gz JLIRXSIWJOSQSB-MRVPVSSYSA-N 1 0 237.259 1.141 20 5 BDBDRO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CCC[NH2+]C1 ZINC000156398124 371395340 /nfs/dbraw/zinc/39/53/40/371395340.db2.gz CDPHNRPPVPMIJD-MRVPVSSYSA-N 1 0 239.250 1.898 20 5 BDBDRO Cc1c(CN2C[C@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000601329146 371747850 /nfs/dbraw/zinc/74/78/50/371747850.db2.gz FXORINNROLLVQQ-BXKDBHETSA-N 1 0 249.314 1.825 20 5 BDBDRO CCCC[N@H+](CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602429249 371803895 /nfs/dbraw/zinc/80/38/95/371803895.db2.gz NUDOCUAYBQXBPR-UHFFFAOYSA-N 1 0 240.307 1.950 20 5 BDBDRO CC[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602487141 371813813 /nfs/dbraw/zinc/81/38/13/371813813.db2.gz UJVAAJWMZAYPCI-SECBINFHSA-N 1 0 238.291 1.560 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000603086701 371866813 /nfs/dbraw/zinc/86/68/13/371866813.db2.gz ICGJPWZTIPIUEF-AAEUAGOBSA-N 1 0 248.282 1.204 20 5 BDBDRO Cc1nn(CC[NH+](C)C)c2ncc([N+](=O)[O-])cc12 ZINC000603321671 371883632 /nfs/dbraw/zinc/88/36/32/371883632.db2.gz SCNCXSUBLOPXFF-UHFFFAOYSA-N 1 0 249.274 1.210 20 5 BDBDRO CC[C@H]([NH3+])CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000231480143 372036988 /nfs/dbraw/zinc/03/69/88/372036988.db2.gz GFCKWHYLPHSWIC-KOLCDFICSA-N 1 0 237.303 1.983 20 5 BDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000053254199 182238249 /nfs/dbraw/zinc/23/82/49/182238249.db2.gz UANQJEAOVQFHAB-SECBINFHSA-N 1 0 249.270 1.077 20 5 BDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000034939023 182372529 /nfs/dbraw/zinc/37/25/29/182372529.db2.gz HLRYJHHLEXGRTC-UHFFFAOYSA-N 1 0 249.270 1.533 20 5 BDBDRO O=[N+]([O-])c1cccnc1O[C@@H]1CCC[NH2+]C1 ZINC000040434994 182953638 /nfs/dbraw/zinc/95/36/38/182953638.db2.gz IKHMXHBROGFVRK-MRVPVSSYSA-N 1 0 223.232 1.121 20 5 BDBDRO C[C@@H](C[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000111302959 383850931 /nfs/dbraw/zinc/85/09/31/383850931.db2.gz BKBBIJPARSLXQY-IYNCYZAOSA-N 1 0 249.270 1.071 20 5 BDBDRO C[C@H](C[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000111302869 383852063 /nfs/dbraw/zinc/85/20/63/383852063.db2.gz ULXKPXDSGZHXQE-XCODYQFDSA-N 1 0 249.270 1.071 20 5 BDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000050245743 383988362 /nfs/dbraw/zinc/98/83/62/383988362.db2.gz WBHIKRCIJMNJAE-VIFPVBQESA-N 1 0 249.270 1.016 20 5 BDBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000134983215 383961979 /nfs/dbraw/zinc/96/19/79/383961979.db2.gz RWCQPUZGJOLBTP-VHSXEESVSA-N 1 0 238.287 1.701 20 5 BDBDRO Cc1ccnc(N[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000070062877 384220261 /nfs/dbraw/zinc/22/02/61/384220261.db2.gz DJQMNFKFMJGZFG-MRVPVSSYSA-N 1 0 222.248 1.072 20 5 BDBDRO O=[N+]([O-])c1cc(F)c(N[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000236209220 384248191 /nfs/dbraw/zinc/24/81/91/384248191.db2.gz RQOKWOYGPCHVGL-ZCFIWIBFSA-N 1 0 243.213 1.647 20 5 BDBDRO Cc1ccnc(N2C[C@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000235666101 384379898 /nfs/dbraw/zinc/37/98/98/384379898.db2.gz TXHXPVNMEJDESX-IUCAKERBSA-N 1 0 236.275 1.082 20 5 BDBDRO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000179063533 384380143 /nfs/dbraw/zinc/38/01/43/384380143.db2.gz BCXBRRYCZCYUSW-LDYMZIIASA-N 1 0 249.270 1.134 20 5 BDBDRO C[C@H]1OCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000135310243 384434525 /nfs/dbraw/zinc/43/45/25/384434525.db2.gz NZFCKOXCSVUYPW-BXKDBHETSA-N 1 0 236.271 1.862 20 5 BDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000176212388 384466740 /nfs/dbraw/zinc/46/67/40/384466740.db2.gz MRXRIJIJOBBFNI-UHFFFAOYSA-N 1 0 224.264 1.133 20 5 BDBDRO C[C@H](NC[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423328055 384536593 /nfs/dbraw/zinc/53/65/93/384536593.db2.gz RWVMGNPONQGFQO-TVQRCGJNSA-N 1 0 249.314 1.983 20 5 BDBDRO C[C@H](CC[NH+](C)C)Nc1c([N+](=O)[O-])ncn1C ZINC000103357432 384608689 /nfs/dbraw/zinc/60/86/89/384608689.db2.gz JQMBMEGHCXYFIM-MRVPVSSYSA-N 1 0 241.295 1.080 20 5 BDBDRO COC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000044478310 384742729 /nfs/dbraw/zinc/74/27/29/384742729.db2.gz YWUMCMDCDQWLLO-SNVBAGLBSA-N 1 0 238.287 1.967 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113787 385062054 /nfs/dbraw/zinc/06/20/54/385062054.db2.gz KSIAPZJTXIJZGE-SECBINFHSA-N 1 0 249.270 1.451 20 5 BDBDRO C[C@@H](CO)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000135504319 385032332 /nfs/dbraw/zinc/03/23/32/385032332.db2.gz GHRIFHTYMWZIIM-JTQLQIEISA-N 1 0 238.287 1.450 20 5 BDBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000516311500 385089729 /nfs/dbraw/zinc/08/97/29/385089729.db2.gz ZHQMHZKBDQNIDL-UHFFFAOYSA-N 1 0 240.307 1.912 20 5 BDBDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000179950282 385247578 /nfs/dbraw/zinc/24/75/78/385247578.db2.gz SZIDRJLCDDEDRD-LLVKDONJSA-N 1 0 236.271 1.470 20 5 BDBDRO O=[N+]([O-])c1ccc(CN2CCOCC23CC3)cc1 ZINC000338593035 385259126 /nfs/dbraw/zinc/25/91/26/385259126.db2.gz QKRMKDMQUCVACX-UHFFFAOYSA-N 1 0 248.282 1.960 20 5 BDBDRO [NH3+][C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149410998 385555098 /nfs/dbraw/zinc/55/50/98/385555098.db2.gz RXAYPJOKFYLTEP-ZETCQYMHSA-N 1 0 242.666 1.181 20 5 BDBDRO CC(C)[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000086120658 385696007 /nfs/dbraw/zinc/69/60/07/385696007.db2.gz ADMWYFWLVZFLMK-VIFPVBQESA-N 1 0 244.316 1.763 20 5 BDBDRO CC(C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000063020331 385704339 /nfs/dbraw/zinc/70/43/39/385704339.db2.gz BSYAOOKHLQDIPM-UHFFFAOYSA-N 1 0 243.288 1.123 20 5 BDBDRO C[NH2+][C@@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000129144652 385728262 /nfs/dbraw/zinc/72/82/62/385728262.db2.gz APKOJAQYRZYXOK-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO [NH3+]C[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000123395750 385787094 /nfs/dbraw/zinc/78/70/94/385787094.db2.gz NNVZAGOUDUFZID-CYBMUJFWSA-N 1 0 249.314 1.560 20 5 BDBDRO Cn1cnc([N+](=O)[O-])c1N1CCc2c[nH+]ccc21 ZINC000267293437 386455395 /nfs/dbraw/zinc/45/53/95/386455395.db2.gz SDCUXGVOCRWGRE-UHFFFAOYSA-N 1 0 245.242 1.418 20 5 BDBDRO COCC[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000215503944 386583204 /nfs/dbraw/zinc/58/32/04/386583204.db2.gz ANYQIXOHPVULKV-UHFFFAOYSA-N 1 0 239.275 1.243 20 5 BDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000051886751 386566908 /nfs/dbraw/zinc/56/69/08/386566908.db2.gz QVLIVSXSRFNBPM-LLVKDONJSA-N 1 0 236.271 1.409 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](CO)C1 ZINC000051886644 386567055 /nfs/dbraw/zinc/56/70/55/386567055.db2.gz ZBCHIJPIUPJUAH-SNVBAGLBSA-N 1 0 236.271 1.409 20 5 BDBDRO [NH3+]C[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000044539818 386723537 /nfs/dbraw/zinc/72/35/37/386723537.db2.gz ZJWLFUQQYPTIPV-LBPRGKRZSA-N 1 0 249.314 1.908 20 5 BDBDRO C[NH2+][C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000053201363 387012619 /nfs/dbraw/zinc/01/26/19/387012619.db2.gz LOCIHDFBEUWOOP-GFCCVEGCSA-N 1 0 249.314 1.779 20 5 BDBDRO CC(C)[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000088445310 387157669 /nfs/dbraw/zinc/15/76/69/387157669.db2.gz DKSAQEWXKHRIQC-SNVBAGLBSA-N 1 0 237.259 1.517 20 5 BDBDRO C[NH2+]C[C@@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000414847232 387378696 /nfs/dbraw/zinc/37/86/96/387378696.db2.gz VSPYXEXUAUVZQZ-SNVBAGLBSA-N 1 0 237.303 1.540 20 5 BDBDRO CCC[NH2+]CCNCc1csc([N+](=O)[O-])c1 ZINC000414875846 387581934 /nfs/dbraw/zinc/58/19/34/387581934.db2.gz VBOIFIPXHALBBW-UHFFFAOYSA-N 1 0 243.332 1.746 20 5 BDBDRO [NH3+][C@@H](CNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000414902980 387600924 /nfs/dbraw/zinc/60/09/24/387600924.db2.gz ZCISSPVXNGDTLY-VIFPVBQESA-N 1 0 241.316 1.483 20 5 BDBDRO CC[C@H]([NH3+])CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414979418 387627483 /nfs/dbraw/zinc/62/74/83/387627483.db2.gz OASFVJYJDHGQNL-HWPRWLFBSA-N 1 0 249.314 1.935 20 5 BDBDRO CC[C@@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1F ZINC000414984587 387631568 /nfs/dbraw/zinc/63/15/68/387631568.db2.gz VCXGSMQOZVHSFJ-SECBINFHSA-N 1 0 241.266 1.561 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415030943 387666856 /nfs/dbraw/zinc/66/68/56/387666856.db2.gz FRNNUQPRRFTHIA-ITGUQSILSA-N 1 0 247.298 1.211 20 5 BDBDRO C[C@@H]([NH2+]CCC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000036746824 388258967 /nfs/dbraw/zinc/25/89/67/388258967.db2.gz GTQKLPXOFDVPNF-MRVPVSSYSA-N 1 0 237.259 1.121 20 5 BDBDRO [NH3+]C[C@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000131996213 388354552 /nfs/dbraw/zinc/35/45/52/388354552.db2.gz CKNNHQGDUPDQAZ-SECBINFHSA-N 1 0 221.260 1.522 20 5 BDBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000357080673 388391214 /nfs/dbraw/zinc/39/12/14/388391214.db2.gz MOJDJOOHMJEYBI-UHFFFAOYSA-N 1 0 239.250 1.138 20 5 BDBDRO [NH3+][C@@H](CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000134148435 388393490 /nfs/dbraw/zinc/39/34/90/388393490.db2.gz HGXFXXHXIPZCNA-VIFPVBQESA-N 1 0 221.260 1.744 20 5 BDBDRO Cc1cnc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000090692090 388472636 /nfs/dbraw/zinc/47/26/36/388472636.db2.gz QIHZOLGURCDXCN-VIFPVBQESA-N 1 0 238.291 1.660 20 5 BDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)O ZINC000449060403 388746971 /nfs/dbraw/zinc/74/69/71/388746971.db2.gz FOBMLRUYMXKVAI-ZJUUUORDSA-N 1 0 238.287 1.496 20 5 BDBDRO C[C@@H](N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000094087110 388749860 /nfs/dbraw/zinc/74/98/60/388749860.db2.gz OMSRDIXKKWFJIQ-KOLCDFICSA-N 1 0 235.287 1.607 20 5 BDBDRO CC(C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369689068 388686915 /nfs/dbraw/zinc/68/69/15/388686915.db2.gz AFUXUJAYGIRWRJ-UHFFFAOYSA-N 1 0 238.291 1.837 20 5 BDBDRO C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000422951493 388687108 /nfs/dbraw/zinc/68/71/08/388687108.db2.gz YTIHFZCFPNFKKN-VHSXEESVSA-N 1 0 249.314 1.853 20 5 BDBDRO [NH3+][C@@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422948940 388687329 /nfs/dbraw/zinc/68/73/29/388687329.db2.gz SIGOSCPJKCTEQO-MNOVXSKESA-N 1 0 235.287 1.564 20 5 BDBDRO C[NH2+][C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000116942535 388718680 /nfs/dbraw/zinc/71/86/80/388718680.db2.gz UMORVFCOGMPHDJ-SECBINFHSA-N 1 0 221.260 1.393 20 5 BDBDRO O=[N+]([O-])c1ccc2oc(O[C@H]3CC[NH2+]C3)nc2c1 ZINC000095092031 388759530 /nfs/dbraw/zinc/75/95/30/388759530.db2.gz LMQIVIZLJKSZTA-QMMMGPOBSA-N 1 0 249.226 1.477 20 5 BDBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000131174296 388840610 /nfs/dbraw/zinc/84/06/10/388840610.db2.gz IRCWUEQIKNSBLF-WCBMZHEXSA-N 1 0 238.287 1.935 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+][C@@H](C)C2)n1 ZINC000122836925 132227647 /nfs/dbraw/zinc/22/76/47/132227647.db2.gz MZVAGYFULLRVQP-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO Cc1ccnc(N2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000070496554 132231232 /nfs/dbraw/zinc/23/12/32/132231232.db2.gz QOAZMUPAUPQSNV-SECBINFHSA-N 1 0 236.275 1.226 20 5 BDBDRO C[C@H]1CN(c2ncccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000034871774 132268798 /nfs/dbraw/zinc/26/87/98/132268798.db2.gz IBYRCGPBLYCJMO-IUCAKERBSA-N 1 0 236.275 1.176 20 5 BDBDRO [NH3+]C[C@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000044559704 132354395 /nfs/dbraw/zinc/35/43/95/132354395.db2.gz RXYNZEIHONZKKA-SECBINFHSA-N 1 0 236.275 1.307 20 5 BDBDRO [NH3+][C@H](CNc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000168245383 134161155 /nfs/dbraw/zinc/16/11/55/134161155.db2.gz FEGBGVFNXWHXKE-SECBINFHSA-N 1 0 222.248 1.139 20 5 BDBDRO C[C@H](CN(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000168696404 134242864 /nfs/dbraw/zinc/24/28/64/134242864.db2.gz DVCWFSHUMPPQEE-SNVBAGLBSA-N 1 0 237.303 1.635 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]([NH3+])[C@@H]1C ZINC000261545677 135150165 /nfs/dbraw/zinc/15/01/65/135150165.db2.gz GHGIPLCOLKGJQQ-UWVGGRQHSA-N 1 0 235.287 1.829 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261545678 135150363 /nfs/dbraw/zinc/15/03/63/135150363.db2.gz GHGIPLCOLKGJQQ-VHSXEESVSA-N 1 0 235.287 1.829 20 5 BDBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000261533417 135164999 /nfs/dbraw/zinc/16/49/99/135164999.db2.gz IHLFKLXDSCDIOQ-VXNVDRBHSA-N 1 0 241.316 1.435 20 5 BDBDRO Cc1nc(N2C[C@H](C)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000261543490 135184754 /nfs/dbraw/zinc/18/47/54/135184754.db2.gz TUEPMHXDKLWODJ-IONNQARKSA-N 1 0 236.275 1.082 20 5 BDBDRO C[C@@]1(C[NH3+])CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000261559760 135200003 /nfs/dbraw/zinc/20/00/03/135200003.db2.gz UATSSCGAHIIBPS-NSHDSACASA-N 1 0 236.275 1.165 20 5 BDBDRO O=[N+]([O-])c1cccc(F)c1NC[C@H]1CC[NH2+]C1 ZINC000261560175 135201009 /nfs/dbraw/zinc/20/10/09/135201009.db2.gz UHGAGOKOMASESV-QMMMGPOBSA-N 1 0 239.250 1.755 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261572179 135214288 /nfs/dbraw/zinc/21/42/88/135214288.db2.gz LMTPDEYXUUKEBN-QWRGUYRKSA-N 1 0 247.298 1.641 20 5 BDBDRO C[C@H]1C[NH2+]CC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000261573770 135215598 /nfs/dbraw/zinc/21/55/98/135215598.db2.gz MLFOJOPIGKKYRF-GXFFZTMASA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000261583715 135223961 /nfs/dbraw/zinc/22/39/61/135223961.db2.gz RWLCBIUKNCOFKR-KWQFWETISA-N 1 0 249.270 1.157 20 5 BDBDRO C[C@@H]([NH3+])[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000261586974 135227697 /nfs/dbraw/zinc/22/76/97/135227697.db2.gz RLFHQIFKORFSGW-RQJHMYQMSA-N 1 0 227.239 1.882 20 5 BDBDRO C[C@H](N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000262285494 135290706 /nfs/dbraw/zinc/29/07/06/135290706.db2.gz ZPWFVFJJRXWLOT-GXSJLCMTSA-N 1 0 235.287 1.607 20 5 BDBDRO C[C@@H](N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000262285497 135290734 /nfs/dbraw/zinc/29/07/34/135290734.db2.gz ZPWFVFJJRXWLOT-KOLCDFICSA-N 1 0 235.287 1.607 20 5 BDBDRO C[NH2+]CCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000087150561 135502305 /nfs/dbraw/zinc/50/23/05/135502305.db2.gz UCQJRRREPWXFND-UHFFFAOYSA-N 1 0 223.276 1.559 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH2+]CC1 ZINC000346640924 135948366 /nfs/dbraw/zinc/94/83/66/135948366.db2.gz KJGKTALTOZNPPC-HWKANZROSA-N 1 0 247.298 1.513 20 5 BDBDRO C[C@]1(CNCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000415077456 398027665 /nfs/dbraw/zinc/02/76/65/398027665.db2.gz FEUQIEVEZQJTOZ-ZDUSSCGKSA-N 1 0 249.314 1.684 20 5 BDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000176269310 172795928 /nfs/dbraw/zinc/79/59/28/172795928.db2.gz SRYJWQOIUWHGJG-UHFFFAOYSA-N 1 0 224.264 1.276 20 5 BDBDRO C[N@@H+]1CC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000037647793 173117370 /nfs/dbraw/zinc/11/73/70/173117370.db2.gz DWRNOXAGLQOZBR-JTQLQIEISA-N 1 0 235.287 1.958 20 5 BDBDRO CN1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000042544918 173153239 /nfs/dbraw/zinc/15/32/39/173153239.db2.gz UNRRJIPOJXDNMZ-NSHDSACASA-N 1 0 235.287 1.389 20 5 BDBDRO C[NH2+]CCN(C)c1ccccc1[N+](=O)[O-] ZINC000069802583 173353819 /nfs/dbraw/zinc/35/38/19/173353819.db2.gz AZOJAHYHVMGJPY-UHFFFAOYSA-N 1 0 209.249 1.250 20 5 BDBDRO C[NH2+]C[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000129516043 173363966 /nfs/dbraw/zinc/36/39/66/173363966.db2.gz IVSOMCNCLCLLHU-MRVPVSSYSA-N 1 0 238.291 1.566 20 5 BDBDRO C[NH2+]C[C@@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000226783775 173369847 /nfs/dbraw/zinc/36/98/47/173369847.db2.gz HXHISXWUMAWNMB-ZETCQYMHSA-N 1 0 242.304 1.240 20 5 BDBDRO C[NH2+]C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000071142019 173381499 /nfs/dbraw/zinc/38/14/99/173381499.db2.gz WJYOZEWOQCIDQF-LLVKDONJSA-N 1 0 249.314 1.636 20 5 BDBDRO COCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000054353790 174280081 /nfs/dbraw/zinc/28/00/81/174280081.db2.gz BMYVKRBOLCVWDA-UHFFFAOYSA-N 1 0 224.260 1.673 20 5 BDBDRO COc1ccc(C[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC000048347154 175095561 /nfs/dbraw/zinc/09/55/61/175095561.db2.gz QPIFHNAFIQMDDX-UHFFFAOYSA-N 1 0 240.259 1.028 20 5 BDBDRO COc1ccc(C[NH2+]CCCO)cc1[N+](=O)[O-] ZINC000035604983 175106687 /nfs/dbraw/zinc/10/66/87/175106687.db2.gz VNCGFBWZNZVHCI-UHFFFAOYSA-N 1 0 240.259 1.075 20 5 BDBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000094339071 176305631 /nfs/dbraw/zinc/30/56/31/176305631.db2.gz XHLAXJSZCAAUAN-MFKMUULPSA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@@H]1C[C@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000336781915 176439984 /nfs/dbraw/zinc/43/99/84/176439984.db2.gz WBHOGUSVDVGKGC-BDAKNGLRSA-N 1 0 224.264 1.037 20 5 BDBDRO C[C@H](C[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000054337702 176657269 /nfs/dbraw/zinc/65/72/69/176657269.db2.gz ZMCNPSLAOUXCEN-SSDOTTSWSA-N 1 0 223.232 1.128 20 5 BDBDRO C[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282448222 176971179 /nfs/dbraw/zinc/97/11/79/176971179.db2.gz LQKFOZROQIELOZ-JTQLQIEISA-N 1 0 238.287 1.450 20 5 BDBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000094339072 177264654 /nfs/dbraw/zinc/26/46/54/177264654.db2.gz XHLAXJSZCAAUAN-GWCFXTLKSA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235672687 177265932 /nfs/dbraw/zinc/26/59/32/177265932.db2.gz XHEIGYAMHIRQSH-ONGXEEELSA-N 1 0 235.287 1.374 20 5 BDBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000351956985 177266163 /nfs/dbraw/zinc/26/61/63/177266163.db2.gz DTQOASSSMZZCST-JOYOIKCWSA-N 1 0 236.271 1.407 20 5 BDBDRO C[NH2+]C[C@@H](C)CNCc1csc([N+](=O)[O-])c1 ZINC000414842479 323151627 /nfs/dbraw/zinc/15/16/27/323151627.db2.gz OWYGKCYTCJJFRW-MRVPVSSYSA-N 1 0 243.332 1.601 20 5 BDBDRO C[NH2+][C@@H](C)CNc1ccc([N+](=O)[O-])cc1C ZINC000261587584 536344824 /nfs/dbraw/zinc/34/48/24/536344824.db2.gz RUEBXNGPHVKPRA-VIFPVBQESA-N 1 0 223.276 1.923 20 5 BDBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000352210723 535790081 /nfs/dbraw/zinc/79/00/81/535790081.db2.gz HUIJUKRCLDVFDG-SNVBAGLBSA-N 1 0 238.287 1.798 20 5 BDBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000352210722 535790171 /nfs/dbraw/zinc/79/01/71/535790171.db2.gz HUIJUKRCLDVFDG-JTQLQIEISA-N 1 0 238.287 1.798 20 5 BDBDRO C[NH2+][C@@H](C)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000261575129 536344148 /nfs/dbraw/zinc/34/41/48/536344148.db2.gz JPOBJMCOVLLMBD-QMMMGPOBSA-N 1 0 224.264 1.318 20 5 BDBDRO C[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000261570384 536404493 /nfs/dbraw/zinc/40/44/93/536404493.db2.gz GUVLJQSTCZUHRJ-SECBINFHSA-N 1 0 223.276 1.923 20 5 BDBDRO Cc1ccc(N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000853651996 588752621 /nfs/dbraw/zinc/75/26/21/588752621.db2.gz XOJZXYGSLIJIQR-UHFFFAOYSA-N 1 0 249.314 1.901 20 5 BDBDRO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000893940781 583254640 /nfs/dbraw/zinc/25/46/40/583254640.db2.gz QBFYRGOZOXSOBW-MFKMUULPSA-N 1 0 247.298 1.735 20 5 BDBDRO C[C@H](c1ccccc1)[N@H+](C)CC[N+](=O)[O-] ZINC000791052802 583384536 /nfs/dbraw/zinc/38/45/36/583384536.db2.gz DJEIXLUXTDIXAR-SNVBAGLBSA-N 1 0 208.261 1.956 20 5 BDBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ncccc1[N+](=O)[O-] ZINC000894878119 583542484 /nfs/dbraw/zinc/54/24/84/583542484.db2.gz FFQOPALPHGLYSP-AOOOYVTPSA-N 1 0 248.286 1.273 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000899859310 584242898 /nfs/dbraw/zinc/24/28/98/584242898.db2.gz JDCVBYBEDYSJBH-CYBMUJFWSA-N 1 0 249.314 1.127 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(Cl)c1 ZINC000899855052 584243054 /nfs/dbraw/zinc/24/30/54/584243054.db2.gz ANVAYMJNYNGZLL-UHFFFAOYSA-N 1 0 214.652 1.706 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(Cl)cc1 ZINC000899856257 584243200 /nfs/dbraw/zinc/24/32/00/584243200.db2.gz QGPSFRLAXZULES-UHFFFAOYSA-N 1 0 214.652 1.706 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000899871072 584244236 /nfs/dbraw/zinc/24/42/36/584244236.db2.gz NDFHQCFGYBSZGF-UHFFFAOYSA-N 1 0 238.262 1.724 20 5 BDBDRO C[C@H]1CCCC[C@H]1OCC[NH2+]CC[N+](=O)[O-] ZINC000899871912 584244738 /nfs/dbraw/zinc/24/47/38/584244738.db2.gz VIJJCUKQKKTZSA-WDEREUQCSA-N 1 0 230.308 1.448 20 5 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1.435 20 5 BDBDRO Cc1cccc(N2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000235923056 632853447 /nfs/dbraw/zinc/85/34/47/632853447.db2.gz BZKSTRYZUDKWFC-UHFFFAOYSA-N 1 0 235.287 1.831 20 5 BDBDRO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000930638531 633965108 /nfs/dbraw/zinc/96/51/08/633965108.db2.gz IBALQJCQMLLODT-WDEREUQCSA-N 1 0 232.324 1.142 20 5 BDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000094653942 635380234 /nfs/dbraw/zinc/38/02/34/635380234.db2.gz LAWAOMKQWPKSBE-ZJUUUORDSA-N 1 0 238.287 1.496 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000905039666 637559036 /nfs/dbraw/zinc/55/90/36/637559036.db2.gz WSXNGGNDWVSZMR-YFKPBYRVSA-N 1 0 213.064 1.047 20 5 BDBDRO CO[C@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905041361 637559127 /nfs/dbraw/zinc/55/91/27/637559127.db2.gz SNXKJLQSLAWFFF-LLVKDONJSA-N 1 0 224.260 1.240 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCn1ccc2ccccc21 ZINC000905027390 637573522 /nfs/dbraw/zinc/57/35/22/637573522.db2.gz UWSPAKRURDTEHV-UHFFFAOYSA-N 1 0 247.298 1.898 20 5 BDBDRO Cc1cccc(OC[C@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC000905062781 637599993 /nfs/dbraw/zinc/59/99/93/637599993.db2.gz PGBWCCJVWDBHNC-NSHDSACASA-N 1 0 238.287 1.629 20 5 BDBDRO CCCC[C@@H](COC)[NH2+]CC[N+](=O)[O-] ZINC000905128633 637641989 /nfs/dbraw/zinc/64/19/89/637641989.db2.gz SUZYVMVQIXLZOF-VIFPVBQESA-N 1 0 204.270 1.058 20 5 BDBDRO CC[C@@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905134328 637643940 /nfs/dbraw/zinc/64/39/40/637643940.db2.gz TZGCZGIXZHEGBO-NXEZZACHSA-N 1 0 200.282 1.822 20 5 BDBDRO Cc1cc(C)cc(CC[NH2+]CC[N+](=O)[O-])c1 ZINC000905132229 637644464 /nfs/dbraw/zinc/64/44/64/637644464.db2.gz KTKMLCKDKJEMQV-UHFFFAOYSA-N 1 0 222.288 1.712 20 5 BDBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])Oc1cccc(F)c1 ZINC000905133519 637644980 /nfs/dbraw/zinc/64/49/80/637644980.db2.gz FAWSDHLOLJKKIT-SECBINFHSA-N 1 0 242.250 1.459 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000905140185 637648446 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ZINC000905244735 637705539 /nfs/dbraw/zinc/70/55/39/637705539.db2.gz RWAISAFCAFXUOE-MGCOHNPYSA-N 1 0 238.262 1.938 20 5 BDBDRO C[C@@H]1CCC[C@H](C[NH2+]CC[N+](=O)[O-])[C@H]1C ZINC000905247411 637707590 /nfs/dbraw/zinc/70/75/90/637707590.db2.gz JKAOVHJDNXIWNJ-OUAUKWLOSA-N 1 0 214.309 1.925 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])C(F)(F)F ZINC000905253232 637712070 /nfs/dbraw/zinc/71/20/70/637712070.db2.gz FMNUWMYZYJGEPL-UHFFFAOYSA-N 1 0 214.187 1.441 20 5 BDBDRO CCO[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905238596 637722056 /nfs/dbraw/zinc/72/20/56/637722056.db2.gz SFDKSJRXUAULLD-LBPRGKRZSA-N 1 0 238.287 1.631 20 5 BDBDRO COCC1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905291520 637726895 /nfs/dbraw/zinc/72/68/95/637726895.db2.gz MTCDHPPBIDEHTG-UHFFFAOYSA-N 1 0 216.281 1.058 20 5 BDBDRO CC(C)(C)C1CC([NH2+]CC[N+](=O)[O-])C1 ZINC000905268595 637728243 /nfs/dbraw/zinc/72/82/43/637728243.db2.gz QJLSTHQISVSCQR-UHFFFAOYSA-N 1 0 200.282 1.677 20 5 BDBDRO CC1(C)CCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905271266 637729135 /nfs/dbraw/zinc/72/91/35/637729135.db2.gz BUTIVJAZWBLIOZ-VIFPVBQESA-N 1 0 200.282 1.679 20 5 BDBDRO CC[C@H]1CCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905272263 637730413 /nfs/dbraw/zinc/73/04/13/637730413.db2.gz GMAOOYWPBFQMJA-UWVGGRQHSA-N 1 0 200.282 1.679 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000905285245 637738279 /nfs/dbraw/zinc/73/82/79/637738279.db2.gz RCARGSIZCCMUIJ-GXSJLCMTSA-N 1 0 224.235 1.548 20 5 BDBDRO CCSC1(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905374492 637791924 /nfs/dbraw/zinc/79/19/24/637791924.db2.gz ULOJNGLQPLZHIG-UHFFFAOYSA-N 1 0 204.295 1.138 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000905476897 637817355 /nfs/dbraw/zinc/81/73/55/637817355.db2.gz BARQAHYFBXUNKQ-JTQLQIEISA-N 1 0 228.292 1.202 20 5 BDBDRO C[N@@H+]1CC[C@@H](NCC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000930356919 639726832 /nfs/dbraw/zinc/72/68/32/639726832.db2.gz LJBNILKZKVULEA-CHWSQXEVSA-N 1 0 249.314 1.298 20 5 BDBDRO Cc1c(C[NH2+][C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000035648941 639797407 /nfs/dbraw/zinc/79/74/07/639797407.db2.gz BJFJDQHJLPPCRQ-QMMMGPOBSA-N 1 0 224.260 1.374 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000930640655 639836784 /nfs/dbraw/zinc/83/67/84/639836784.db2.gz AYBGAHOIPHEKHK-SECBINFHSA-N 1 0 216.306 1.091 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000930640656 639837263 /nfs/dbraw/zinc/83/72/63/639837263.db2.gz AYBGAHOIPHEKHK-VIFPVBQESA-N 1 0 216.306 1.091 20 5 BDBDRO CO[C@@H]1C[C@@H]([N@H+](C)CC[N+](=O)[O-])C12CCC2 ZINC000930652825 639841416 /nfs/dbraw/zinc/84/14/16/639841416.db2.gz PJSNLSCBXYEDJE-NXEZZACHSA-N 1 0 228.292 1.153 20 5 BDBDRO CC(C)OC(=O)C[C@@H]([NH2+]CC[N+](=O)[O-])C(C)C ZINC000930890403 639973585 /nfs/dbraw/zinc/97/35/85/639973585.db2.gz PIEPOVJRSNTJIK-SNVBAGLBSA-N 1 0 246.307 1.219 20 5 BDBDRO O=[N+]([O-])CC[N@H+](CCC1CC1)CC1CC1 ZINC000931068436 640055780 /nfs/dbraw/zinc/05/57/80/640055780.db2.gz BLYVLWLQIPBVQN-UHFFFAOYSA-N 1 0 212.293 1.775 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC2(CCSCC2)CC1 ZINC000931466465 640227169 /nfs/dbraw/zinc/22/71/69/640227169.db2.gz VXNZDOKPGXPZFK-UHFFFAOYSA-N 1 0 244.360 1.872 20 5 BDBDRO C[C@@H]1C[C@H](C)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000932127936 640433923 /nfs/dbraw/zinc/43/39/23/640433923.db2.gz SBMIBTFLYYGHIO-NXEZZACHSA-N 1 0 200.282 1.631 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934697762 641248310 /nfs/dbraw/zinc/24/83/10/641248310.db2.gz JYTNAYNGLHMPCQ-LLVKDONJSA-N 1 0 221.260 1.399 20 5 BDBDRO CC(C)[C@@H](C)[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000915208445 641810364 /nfs/dbraw/zinc/81/03/64/641810364.db2.gz MGOHXOACQJMURA-SECBINFHSA-N 1 0 226.280 1.725 20 5 BDBDRO C[N@H+]1CC=C(CNc2ccncc2[N+](=O)[O-])CC1 ZINC000361042819 642463931 /nfs/dbraw/zinc/46/39/31/642463931.db2.gz MLVLFZFQKXJYCO-UHFFFAOYSA-N 1 0 248.286 1.086 20 5 BDBDRO Cc1nn(CC[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000921163593 642581717 /nfs/dbraw/zinc/58/17/17/642581717.db2.gz VTWAQJXBYGTRFM-UHFFFAOYSA-N 1 0 238.291 1.504 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCO)cc1Cl ZINC000185266117 643282506 /nfs/dbraw/zinc/28/25/06/643282506.db2.gz PEVHELOGLVQOKL-UHFFFAOYSA-N 1 0 244.678 1.720 20 5 BDBDRO Cc1c(C[NH2+][C@@H](C)CCO)cccc1[N+](=O)[O-] ZINC000132960593 645857237 /nfs/dbraw/zinc/85/72/37/645857237.db2.gz OLIVXDIRESYDGO-VIFPVBQESA-N 1 0 238.287 1.764 20 5 BDBDRO Cc1c(C[NH2+][C@H](C)CCO)cccc1[N+](=O)[O-] ZINC000132960767 645857297 /nfs/dbraw/zinc/85/72/97/645857297.db2.gz OLIVXDIRESYDGO-SECBINFHSA-N 1 0 238.287 1.764 20 5 BDBDRO C[C@H]1CCC[C@H]([N@H+](C)CC[N+](=O)[O-])C1 ZINC000929274026 646052500 /nfs/dbraw/zinc/05/25/00/646052500.db2.gz PQDOWASVIDJYDK-UWVGGRQHSA-N 1 0 200.282 1.774 20 5 BDBDRO C[N@H+](CC[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000929646336 646219634 /nfs/dbraw/zinc/21/96/34/646219634.db2.gz OAGIMLJFNZAWAN-ZDUSSCGKSA-N 1 0 234.299 1.752 20 5 BDBDRO COc1cccc([C@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC000930188994 646484399 /nfs/dbraw/zinc/48/43/99/646484399.db2.gz 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O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)C1 ZINC001168963652 969315973 /nfs/dbraw/zinc/31/59/73/969315973.db2.gz PKAZJXWOWLLPJV-WISYIIOYSA-N 1 0 242.319 1.182 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001168971939 969322785 /nfs/dbraw/zinc/32/27/85/969322785.db2.gz MAIGEBHXBUHYFG-HBNTYKKESA-N 1 0 228.292 1.058 20 5 BDBDRO CC1(O)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007728 969334281 /nfs/dbraw/zinc/33/42/81/969334281.db2.gz PVHADNRHOJBXOK-MNOVXSKESA-N 1 0 242.319 1.279 20 5 BDBDRO COC[C@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169041612 969355689 /nfs/dbraw/zinc/35/56/89/969355689.db2.gz BLTDNKVWQOLNPI-SRVKXCTJSA-N 1 0 242.319 1.400 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(F)cn1 ZINC001228849072 976528595 /nfs/dbraw/zinc/52/85/95/976528595.db2.gz KTIPPUZMTRMWHY-QMMMGPOBSA-N 1 0 214.264 1.089 20 5 BDBDRO CCC1(CC)[C@H]([NH2+]CC[N+](=O)[O-])[C@H](C)[C@@H]1OC ZINC001334885256 976765170 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O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)C1 ZINC001168977993 969297677 /nfs/dbraw/zinc/29/76/77/969297677.db2.gz NMWONDCBTBOAMT-FIQHERPVSA-N 1 0 242.319 1.325 20 5 BDBDRO O=C1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168978127 969298173 /nfs/dbraw/zinc/29/81/73/969298173.db2.gz OOUSUDRHKMJTNI-GXSJLCMTSA-N 1 0 240.303 1.533 20 5 BDBDRO CCCOCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977485 969298290 /nfs/dbraw/zinc/29/82/90/969298290.db2.gz KDWLQLMGIFIMPC-VXGBXAGGSA-N 1 0 244.335 1.838 20 5 BDBDRO [NH3+]Cc1ccn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168981981 969298861 /nfs/dbraw/zinc/29/88/61/969298861.db2.gz HUAQINNGIZGVRB-GXSJLCMTSA-N 1 0 223.276 1.565 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cscn2)C1 ZINC001168956227 969305179 /nfs/dbraw/zinc/30/51/79/969305179.db2.gz AJNHZIQIGIDYFJ-RKDXNWHRSA-N 1 0 241.316 1.678 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccncc2)C1 ZINC001168959109 969309234 /nfs/dbraw/zinc/30/92/34/969309234.db2.gz SZWIRXGXXHFZMH-RYUDHWBXSA-N 1 0 235.287 1.617 20 5 BDBDRO Cc1cccnc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958537 969309372 /nfs/dbraw/zinc/30/93/72/969309372.db2.gz ODLSERQWZURSPW-VXGBXAGGSA-N 1 0 249.314 1.925 20 5 BDBDRO Cc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168959400 969310188 /nfs/dbraw/zinc/31/01/88/969310188.db2.gz VRDYWYMIGMWPBI-NEPJUHHUSA-N 1 0 249.314 1.925 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](F)C2)C1 ZINC001168963145 969314547 /nfs/dbraw/zinc/31/45/47/969314547.db2.gz NTFSQPUTFAFBMS-VLEAKVRGSA-N 1 0 230.283 1.912 20 5 BDBDRO Cc1cncc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168963223 969315888 /nfs/dbraw/zinc/31/58/88/969315888.db2.gz OTUGAXQYPMCHIU-WCQYABFASA-N 1 0 249.314 1.925 20 5 BDBDRO CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964230 969316510 /nfs/dbraw/zinc/31/65/10/969316510.db2.gz SCIZVBITUWKYEJ-FIQHERPVSA-N 1 0 244.335 1.428 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(CO)CCC2)C1 ZINC001168965989 969319298 /nfs/dbraw/zinc/31/92/98/969319298.db2.gz FKBIPISKACWEFT-GHMZBOCLSA-N 1 0 242.319 1.184 20 5 BDBDRO [NH3+]CCc1nccn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967511 969320738 /nfs/dbraw/zinc/32/07/38/969320738.db2.gz QHUSPVDDRVDADU-VHSXEESVSA-N 1 0 238.291 1.002 20 5 BDBDRO O=C1CC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168969843 969320946 /nfs/dbraw/zinc/32/09/46/969320946.db2.gz FXTUIHBJHDLMRP-PSASIEDQSA-N 1 0 226.276 1.001 20 5 BDBDRO COCC(C)(C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967084 969321258 /nfs/dbraw/zinc/32/12/58/969321258.db2.gz NCXGPLRADHANBP-UWVGGRQHSA-N 1 0 230.308 1.446 20 5 BDBDRO CSCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967663 969321678 /nfs/dbraw/zinc/32/16/78/969321678.db2.gz SGMCJSIMKFLYER-VHSXEESVSA-N 1 0 232.349 1.775 20 5 BDBDRO CC(C)(C)C(=O)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966966 969321682 /nfs/dbraw/zinc/32/16/82/969321682.db2.gz MNWQRELMKMZBIS-NXEZZACHSA-N 1 0 242.319 1.637 20 5 BDBDRO CCC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)COC1 ZINC001168975198 969323082 /nfs/dbraw/zinc/32/30/82/969323082.db2.gz UQJKIVJMFAVLPS-ZJUUUORDSA-N 1 0 228.292 1.200 20 5 BDBDRO CC1(C)C[C@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)O1 ZINC001168970434 969324293 /nfs/dbraw/zinc/32/42/93/969324293.db2.gz HGYPJVLUNYHWDA-OUAUKWLOSA-N 1 0 242.319 1.589 20 5 BDBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCCO1 ZINC001169007314 969328968 /nfs/dbraw/zinc/32/89/68/969328968.db2.gz MMAZHALPSIWONB-YFKTTZPYSA-N 1 0 242.319 1.589 20 5 BDBDRO CCN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005757 969329919 /nfs/dbraw/zinc/32/99/19/969329919.db2.gz CTNFAXSOHMPXJC-NWDGAFQWSA-N 1 0 241.335 1.069 20 5 BDBDRO C[N@H+](CC1CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005736 969330951 /nfs/dbraw/zinc/33/09/51/969330951.db2.gz CNCXFLBGNAVSSJ-GHMZBOCLSA-N 1 0 212.293 1.774 20 5 BDBDRO C[C@@H]1COCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169009100 969332602 /nfs/dbraw/zinc/33/26/02/969332602.db2.gz VLLOPEGEYTUHBM-SRVKXCTJSA-N 1 0 242.319 1.400 20 5 BDBDRO CC[N@H+](CCN(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007630 969335960 /nfs/dbraw/zinc/33/59/60/969335960.db2.gz OSWARUQSORGIEJ-VXGBXAGGSA-N 1 0 243.351 1.315 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC3(CC3)C2)C1 ZINC001169011890 969338440 /nfs/dbraw/zinc/33/84/40/969338440.db2.gz NFOAJOPRVCXBRJ-WDEREUQCSA-N 1 0 224.304 1.918 20 5 BDBDRO CCOC1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169013057 969339572 /nfs/dbraw/zinc/33/95/72/969339572.db2.gz TVWXHKOCWPRHPS-NXEZZACHSA-N 1 0 228.292 1.153 20 5 BDBDRO C[C@H]1C[C@@H](CO)[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169012452 969339901 /nfs/dbraw/zinc/33/99/01/969339901.db2.gz QFCCMQFVJMXAPN-YFKTTZPYSA-N 1 0 242.319 1.135 20 5 BDBDRO [NH3+]CCc1cccn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986816 969341566 /nfs/dbraw/zinc/34/15/66/969341566.db2.gz ZSUKOPOXKJQHAD-PWSUYJOCSA-N 1 0 237.303 1.607 20 5 BDBDRO [NH3+]CCc1cccn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986814 969342379 /nfs/dbraw/zinc/34/23/79/969342379.db2.gz ZSUKOPOXKJQHAD-CMPLNLGQSA-N 1 0 237.303 1.607 20 5 BDBDRO CC(=O)CC(C)(C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988083 969345158 /nfs/dbraw/zinc/34/51/58/969345158.db2.gz NLKDRZFVHZFVKY-MNOVXSKESA-N 1 0 242.319 1.779 20 5 BDBDRO Cc1cnc(C[NH3+])n1-c1c(C)cccc1[N+](=O)[O-] ZINC001169028060 969348728 /nfs/dbraw/zinc/34/87/28/969348728.db2.gz HCKWXUWPRLUTOM-UHFFFAOYSA-N 1 0 246.270 1.856 20 5 BDBDRO CC[N@H+](C1COC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033009 969352230 /nfs/dbraw/zinc/35/22/30/969352230.db2.gz AYHLWWIFZZNKKA-UWVGGRQHSA-N 1 0 228.292 1.153 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC23COC3)C1 ZINC001169034545 969353490 /nfs/dbraw/zinc/35/34/90/969353490.db2.gz HOPHASQEZLGERC-GHMZBOCLSA-N 1 0 240.303 1.297 20 5 BDBDRO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](C)CO1 ZINC001169042458 969359912 /nfs/dbraw/zinc/35/99/12/969359912.db2.gz DOSKTSLADQMSIV-USZNOCQGSA-N 1 0 242.319 1.541 20 5 BDBDRO CO[C@H](C)C1C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169042163 969361809 /nfs/dbraw/zinc/36/18/09/969361809.db2.gz DHDFALKBYYBBKO-SCVCMEIPSA-N 1 0 242.319 1.399 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCOC3(CC3)C2)C1 ZINC001169047630 969365815 /nfs/dbraw/zinc/36/58/15/969365815.db2.gz RVMDWPRTDRZLQW-GHMZBOCLSA-N 1 0 240.303 1.297 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCn3cccc3C2)C1 ZINC001169024345 969366700 /nfs/dbraw/zinc/36/67/00/969366700.db2.gz GMXMGZHUYHMCJO-NEPJUHHUSA-N 1 0 249.314 1.749 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC3(CSC3)C2)C1 ZINC001169045459 969367105 /nfs/dbraw/zinc/36/71/05/969367105.db2.gz JFOVAICVTWAFRM-NXEZZACHSA-N 1 0 242.344 1.481 20 5 BDBDRO CC(C)OC1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169050009 969367964 /nfs/dbraw/zinc/36/79/64/969367964.db2.gz XWJPEBOQUCMPSM-GHMZBOCLSA-N 1 0 242.319 1.541 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H]2CO3)C1 ZINC001169053893 969370746 /nfs/dbraw/zinc/37/07/46/969370746.db2.gz JZCNXSPKJXRHOK-WRWGMCAJSA-N 1 0 240.303 1.295 20 5 BDBDRO C[N@H+]([C@H]1CCOC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169057479 969372046 /nfs/dbraw/zinc/37/20/46/969372046.db2.gz VVYCKIJGPQZIQC-VWYCJHECSA-N 1 0 228.292 1.153 20 5 BDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC=[NH2+] ZINC001254538502 969738400 /nfs/dbraw/zinc/73/84/00/969738400.db2.gz WLZAGPPHHIAGKN-QMMMGPOBSA-N 1 0 207.233 1.722 20 5 BDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1(C[NH3+])CC1 ZINC001254548360 969738523 /nfs/dbraw/zinc/73/85/23/969738523.db2.gz HUDWJWLTSDKCAD-JTQLQIEISA-N 1 0 249.314 1.607 20 5 BDBDRO CC(=O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538505 969738746 /nfs/dbraw/zinc/73/87/46/969738746.db2.gz WOTBANQSFHVFTP-SECBINFHSA-N 1 0 236.271 1.704 20 5 BDBDRO CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568413 969741553 /nfs/dbraw/zinc/74/15/53/969741553.db2.gz UJKREHNGPPNKQC-JTQLQIEISA-N 1 0 206.245 1.672 20 5 BDBDRO Cc1cnc(N2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000090692526 969884900 /nfs/dbraw/zinc/88/49/00/969884900.db2.gz WERKWEFIALYCGY-UHFFFAOYSA-N 1 0 236.275 1.226 20 5 BDBDRO Cc1[nH+]cn(-c2cc([N+](=O)[O-])ccc2C)c1N ZINC001211286917 970218116 /nfs/dbraw/zinc/21/81/16/970218116.db2.gz ADQYCKNLZRZZST-UHFFFAOYSA-N 1 0 232.243 1.980 20 5 BDBDRO C[N@@H+]1CC[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401208476 970665449 /nfs/dbraw/zinc/66/54/49/970665449.db2.gz MZCORUMPDATOPZ-QMMMGPOBSA-N 1 0 240.238 1.245 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCC1CCOCC1 ZINC001222639859 972615784 /nfs/dbraw/zinc/61/57/84/972615784.db2.gz QIKSARBTYFQLQT-NSHDSACASA-N 1 0 216.345 1.524 20 5 BDBDRO CC(C)([NH3+])CNc1cc([N+](=O)[O-])c2nccn2c1 ZINC001171192904 972841560 /nfs/dbraw/zinc/84/15/60/972841560.db2.gz MTXOKKRXNOYKGE-UHFFFAOYSA-N 1 0 249.274 1.392 20 5 BDBDRO COc1ncccc1CO[C@@H](C)C[N+](C)(C)C ZINC001223781238 973267054 /nfs/dbraw/zinc/26/70/54/973267054.db2.gz TVHKLLIJNMDSLC-NSHDSACASA-N 1 0 239.339 1.702 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCn1nnc2ccccc21 ZINC001223800731 973292202 /nfs/dbraw/zinc/29/22/02/973292202.db2.gz MCSQYVSLCCRNOV-NSHDSACASA-N 1 0 249.338 1.500 20 5 BDBDRO CC[C@H](COCCC[N+](C)(C)C)OC ZINC001224620834 973802328 /nfs/dbraw/zinc/80/23/28/973802328.db2.gz GHGLJBRWWTYVIK-LLVKDONJSA-N 1 0 204.334 1.524 20 5 BDBDRO C[N+](C)(C)CCOC[C@@H]1Cc2ccccc2O1 ZINC001224771867 973935332 /nfs/dbraw/zinc/93/53/32/973935332.db2.gz TVPASKCVPJKUOZ-ZDUSSCGKSA-N 1 0 236.335 1.713 20 5 BDBDRO C[C@@H]1C[C@@H](OCC[N+](C)(C)C)CCO1 ZINC001224776540 973940773 /nfs/dbraw/zinc/94/07/73/973940773.db2.gz XPJWQONMXURSPG-MNOVXSKESA-N 1 0 202.318 1.277 20 5 BDBDRO C[N@@H+]1CC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628589 974604351 /nfs/dbraw/zinc/60/43/51/974604351.db2.gz PQSHEIRZMIYIOY-MRVPVSSYSA-N 1 0 223.232 1.073 20 5 BDBDRO Cc1cc(C)nc(O[C@H](C)C[N+](C)(C)C)n1 ZINC001225644916 974618083 /nfs/dbraw/zinc/61/80/83/974618083.db2.gz RZICXEJBWUMTFZ-LLVKDONJSA-N 1 0 224.328 1.567 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(N)n1 ZINC001225756386 974671059 /nfs/dbraw/zinc/67/10/59/974671059.db2.gz MFVQERQUWYNDPV-SECBINFHSA-N 1 0 210.301 1.137 20 5 BDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1N ZINC001173234514 975078202 /nfs/dbraw/zinc/07/82/02/975078202.db2.gz PDCFYNLEJJMHAX-XXILOJSOSA-N 1 0 235.287 1.215 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OC(=O)c1ccccc1O ZINC001227485633 975467885 /nfs/dbraw/zinc/46/78/85/975467885.db2.gz TTWQOLIOOPJZRH-SNVBAGLBSA-O 1 0 238.307 1.644 20 5 BDBDRO C[N@@H+]1CC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227987107 975835442 /nfs/dbraw/zinc/83/54/42/975835442.db2.gz FAKWFCDFTPQOIR-VIFPVBQESA-N 1 0 223.232 1.073 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(O)cn1 ZINC001228034491 975859196 /nfs/dbraw/zinc/85/91/96/975859196.db2.gz FKMYTLHRFFWNAJ-SECBINFHSA-O 1 0 211.285 1.261 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(=O)[nH]cc1Cl ZINC001228350515 976143432 /nfs/dbraw/zinc/14/34/32/976143432.db2.gz KFFUYXZEYLFTJH-MRVPVSSYSA-O 1 0 245.730 1.914 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2n[nH]nc2c1 ZINC001228662051 976417018 /nfs/dbraw/zinc/41/70/18/976417018.db2.gz BMYPEQPKVPNPCN-SECBINFHSA-N 1 0 235.311 1.431 20 5 BDBDRO O=[N+]([O-])c1ccncc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001228878981 976545027 /nfs/dbraw/zinc/54/50/27/976545027.db2.gz ATKAJDWSFKBHAC-GFCCVEGCSA-N 1 0 249.270 1.463 20 5 BDBDRO O=[N+]([O-])c1ccncc1O[C@H]1C[NH+]2CCC1CC2 ZINC001228878982 976545925 /nfs/dbraw/zinc/54/59/25/976545925.db2.gz ATKAJDWSFKBHAC-LBPRGKRZSA-N 1 0 249.270 1.463 20 5 BDBDRO CC[N@@H+]1CC[C@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228880023 976549396 /nfs/dbraw/zinc/54/93/96/976549396.db2.gz PEWPLCCKVJXZSL-VIFPVBQESA-N 1 0 237.259 1.463 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(=O)[nH]1 ZINC001229366417 976847196 /nfs/dbraw/zinc/84/71/96/976847196.db2.gz YMIAIMDPBFZGEL-VIFPVBQESA-O 1 0 211.285 1.261 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(=O)[nH]1 ZINC001229366416 976848600 /nfs/dbraw/zinc/84/86/00/976848600.db2.gz YMIAIMDPBFZGEL-SECBINFHSA-O 1 0 211.285 1.261 20 5 BDBDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC001335412959 977042089 /nfs/dbraw/zinc/04/20/89/977042089.db2.gz SJNQNFYCMCGJBF-CMPLNLGQSA-N 1 0 238.287 1.283 20 5 BDBDRO Cc1ncnc(O[C@H](C)C[N+](C)(C)C)c1F ZINC001230019966 977072656 /nfs/dbraw/zinc/07/26/56/977072656.db2.gz RQAHQZYIVNOQMY-MRVPVSSYSA-N 1 0 228.291 1.398 20 5 BDBDRO Cc1cccc2nc(CC[NH2+]CC[N+](=O)[O-])cn21 ZINC001335520360 977116714 /nfs/dbraw/zinc/11/67/14/977116714.db2.gz TWGVXAMFEJHVOW-UHFFFAOYSA-N 1 0 248.286 1.052 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c2cccnc21 ZINC001230335241 977185195 /nfs/dbraw/zinc/18/51/95/977185195.db2.gz QRZMKBBIFHOSPJ-VIFPVBQESA-N 1 0 235.311 1.431 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C2CC2)nn1 ZINC001231028410 977434386 /nfs/dbraw/zinc/43/43/86/977434386.db2.gz PFAHZNHNHOQBBC-SNVBAGLBSA-N 1 0 236.339 1.828 20 5 BDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C=CCC2)c1 ZINC001336771329 977944006 /nfs/dbraw/zinc/94/40/06/977944006.db2.gz RANDUCRKWQIXMX-DGCLKSJQSA-N 1 0 248.282 1.936 20 5 BDBDRO COc1ccc(CCC[NH2+]CC[N+](=O)[O-])cc1 ZINC001337793516 978498894 /nfs/dbraw/zinc/49/88/94/978498894.db2.gz CBYLDJJLWNVDID-UHFFFAOYSA-N 1 0 238.287 1.494 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(N)n[nH]c2c1 ZINC001233564252 978625068 /nfs/dbraw/zinc/62/50/68/978625068.db2.gz LMNDUIPHMZMJPO-SECBINFHSA-N 1 0 249.338 1.619 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccnc([N+](=O)[O-])c1 ZINC001233859767 978709485 /nfs/dbraw/zinc/70/94/85/978709485.db2.gz QNOPGKGPHGGHHK-SECBINFHSA-N 1 0 240.283 1.463 20 5 BDBDRO NC1=CCN(c2cc(Cl)ccc2[N+](=O)[O-])[NH2+]1 ZINC001187585693 980533250 /nfs/dbraw/zinc/53/32/50/980533250.db2.gz CIYKTULIZOKJLN-UHFFFAOYSA-N 1 0 240.650 1.373 20 5 BDBDRO CC1(C)CCC[C@](O)(C[NH2+]CC[N+](=O)[O-])CC1 ZINC001353375746 982849708 /nfs/dbraw/zinc/84/97/08/982849708.db2.gz FZYVZVNUFDQKCK-GFCCVEGCSA-N 1 0 244.335 1.574 20 5 BDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CC=CC2)c1 ZINC001356533747 983623796 /nfs/dbraw/zinc/62/37/96/983623796.db2.gz SYBCZWJTYYVSQK-ZDUSSCGKSA-N 1 0 248.282 1.936 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@]23C[C@H]2COC3)cc1 ZINC000718015292 984373393 /nfs/dbraw/zinc/37/33/93/984373393.db2.gz JUKPTZFDQCKHFG-AAEUAGOBSA-N 1 0 248.282 1.516 20 5 BDBDRO CN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH2+]1 ZINC001578478356 985108779 /nfs/dbraw/zinc/10/87/79/985108779.db2.gz DFSAXYXFTURZQI-LBPRGKRZSA-N 1 0 249.314 1.431 20 5 BDBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000688044027 985510699 /nfs/dbraw/zinc/51/06/99/985510699.db2.gz MIPBPHVUCDPJPH-BXKDBHETSA-N 1 0 236.271 1.719 20 5 BDBDRO C[C@@H]1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H](C)N1 ZINC001246969695 988800877 /nfs/dbraw/zinc/80/08/77/988800877.db2.gz SKGXAQVBZLOTLN-DDHJBXDOSA-N 1 0 241.335 1.114 20 5 BDBDRO Cc1ncc([N+](=O)[O-])cc1Nc1[nH+]ccn1C ZINC001248746437 989141214 /nfs/dbraw/zinc/14/12/14/989141214.db2.gz LKGNFPPIHOAUOU-UHFFFAOYSA-N 1 0 233.231 1.775 20 5 BDBDRO C[NH2+][C@@H](C)CCNCc1ccccc1[N+](=O)[O-] ZINC001325625195 989218809 /nfs/dbraw/zinc/21/88/09/989218809.db2.gz ISZVUWABVZFWOC-JTQLQIEISA-N 1 0 237.303 1.682 20 5 BDBDRO CO[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC001120376901 989648170 /nfs/dbraw/zinc/64/81/70/989648170.db2.gz NSERZDOCORWGEB-NSHDSACASA-N 1 0 242.250 1.380 20 5 BDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1(C)CC1 ZINC001308135169 995563140 /nfs/dbraw/zinc/56/31/40/995563140.db2.gz SXNDSWZFXOXIKE-SECBINFHSA-N 1 0 238.291 1.570 20 5 BDBDRO C[NH+]1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000037248567 361777192 /nfs/dbraw/zinc/77/71/92/361777192.db2.gz MPXAMHDQFMAQKO-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[NH+](C)C ZINC000052812505 178273605 /nfs/dbraw/zinc/27/36/05/178273605.db2.gz ZLZPEDKXLIGCDO-VIFPVBQESA-N 1 0 238.291 1.660 20 5 BDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601977618 342808220 /nfs/dbraw/zinc/80/82/20/342808220.db2.gz VLYCWFZYUGHGTE-TXEJJXNPSA-N 1 0 248.282 1.673 20 5 BDBDRO O=[N+]([O-])c1ccc(OCC2C[NH2+]C2)c(Cl)c1 ZINC000304554145 342889587 /nfs/dbraw/zinc/88/95/87/342889587.db2.gz XTDFBMYEDCGEMY-UHFFFAOYSA-N 1 0 242.662 1.846 20 5 BDBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000228085772 398322063 /nfs/dbraw/zinc/32/20/63/398322063.db2.gz QRVHNDFWQMVKSX-UWVGGRQHSA-N 1 0 238.287 1.844 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000043474245 343084246 /nfs/dbraw/zinc/08/42/46/343084246.db2.gz BLNZVYAASXNNPC-QMMMGPOBSA-N 1 0 239.250 1.898 20 5 BDBDRO CC(C)(CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677770 343302025 /nfs/dbraw/zinc/30/20/25/343302025.db2.gz MIDSOGZUWLSUPI-UHFFFAOYSA-N 1 0 238.287 1.498 20 5 BDBDRO C[C@H](CNc1cccnc1[N+](=O)[O-])C[NH+](C)C ZINC000310139919 343303171 /nfs/dbraw/zinc/30/31/71/343303171.db2.gz MUUYLENTJXOWEZ-SECBINFHSA-N 1 0 238.291 1.599 20 5 BDBDRO COc1cccc(NCC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000135051731 343620639 /nfs/dbraw/zinc/62/06/39/343620639.db2.gz WZMYQRCEDDDSCE-MRVPVSSYSA-N 1 0 239.275 1.753 20 5 BDBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000230732636 346996819 /nfs/dbraw/zinc/99/68/19/346996819.db2.gz QMJXKFBTOCYJND-GFCCVEGCSA-N 1 0 249.270 1.077 20 5 BDBDRO C[NH+](C)CCCNc1cccnc1[N+](=O)[O-] ZINC000156936297 343877494 /nfs/dbraw/zinc/87/74/94/343877494.db2.gz UNSGXMVHSNTHSH-UHFFFAOYSA-N 1 0 224.264 1.353 20 5 BDBDRO CC[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000084199937 344102157 /nfs/dbraw/zinc/10/21/57/344102157.db2.gz KSZHWFQHNSUFJR-SECBINFHSA-N 1 0 223.232 1.271 20 5 BDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000176243293 344388643 /nfs/dbraw/zinc/38/86/43/344388643.db2.gz HOMBTCFAGOZNBJ-SECBINFHSA-N 1 0 240.307 1.816 20 5 BDBDRO CC1(C)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271464 344394658 /nfs/dbraw/zinc/39/46/58/344394658.db2.gz DIUDNAIVEUXFPI-UHFFFAOYSA-N 1 0 238.291 1.523 20 5 BDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000381410598 344503303 /nfs/dbraw/zinc/50/33/03/344503303.db2.gz XRGDFDULRBPCNU-JGVFFNPUSA-N 1 0 237.259 1.060 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000381350412 344496285 /nfs/dbraw/zinc/49/62/85/344496285.db2.gz HVEWGGJGCXXTPB-YUMQZZPRSA-N 1 0 237.259 1.060 20 5 BDBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])s2)C1 ZINC000612448840 344896985 /nfs/dbraw/zinc/89/69/85/344896985.db2.gz QGHGEFGUJOFFDM-UHFFFAOYSA-N 1 0 227.289 1.407 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]3CCC2CC3)nc1 ZINC000144126086 345708082 /nfs/dbraw/zinc/70/80/82/345708082.db2.gz DSQHQZGKVMSXFQ-UHFFFAOYSA-N 1 0 248.286 1.274 20 5 BDBDRO Cc1cccc(N2CC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000235928370 179123795 /nfs/dbraw/zinc/12/37/95/179123795.db2.gz CZQMCEMXUKFRRE-VIFPVBQESA-N 1 0 221.260 1.441 20 5 BDBDRO Cc1cccc(NC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000235897197 179147635 /nfs/dbraw/zinc/14/76/35/179147635.db2.gz AOHWIQHGBQGTME-JTQLQIEISA-N 1 0 235.287 1.925 20 5 BDBDRO C[C@H](NCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577203 347676877 /nfs/dbraw/zinc/67/68/77/347676877.db2.gz AXKPPGGSLOADFM-JTQLQIEISA-N 1 0 249.314 1.997 20 5 BDBDRO C[C@@H]([NH3+])CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000591580582 347677533 /nfs/dbraw/zinc/67/75/33/347677533.db2.gz ADYOGKDUNSZMKN-RKDXNWHRSA-N 1 0 223.276 1.593 20 5 BDBDRO Cc1c([C@@H](C)NC[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000591580643 347677539 /nfs/dbraw/zinc/67/75/39/347677539.db2.gz DPHAHVJMJKYOAZ-PSASIEDQSA-N 1 0 237.303 1.901 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)C[NH3+] ZINC000414945646 323152190 /nfs/dbraw/zinc/15/21/90/323152190.db2.gz QXSCJAFKWYMTHB-VIFPVBQESA-N 1 0 223.276 1.340 20 5 BDBDRO C[NH2+]CCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000592171277 347746879 /nfs/dbraw/zinc/74/68/79/347746879.db2.gz VYTMMXRJVCAUIZ-UHFFFAOYSA-N 1 0 224.264 1.278 20 5 BDBDRO C[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492256 348062656 /nfs/dbraw/zinc/06/26/56/348062656.db2.gz FWUIJOMYHXGDFZ-LDYMZIIASA-N 1 0 236.271 1.553 20 5 BDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCO ZINC000595003763 348169686 /nfs/dbraw/zinc/16/96/86/348169686.db2.gz JRTATUGWGHMCMS-QMMMGPOBSA-N 1 0 240.259 1.246 20 5 BDBDRO COCCN(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293272 348215025 /nfs/dbraw/zinc/21/50/25/348215025.db2.gz JABDWTOWTNQDKO-UHFFFAOYSA-N 1 0 242.250 1.812 20 5 BDBDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595101985 348196136 /nfs/dbraw/zinc/19/61/36/348196136.db2.gz GWWVRBQFNHBBJX-HLUHBDAQSA-N 1 0 236.271 1.769 20 5 BDBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595101986 348196172 /nfs/dbraw/zinc/19/61/72/348196172.db2.gz GWWVRBQFNHBBJX-PEXQALLHSA-N 1 0 236.271 1.769 20 5 BDBDRO Cc1noc(C[NH+]2C[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595331992 348228211 /nfs/dbraw/zinc/22/82/11/348228211.db2.gz AWIFFRHZTKVPCD-YUMQZZPRSA-N 1 0 239.275 1.979 20 5 BDBDRO CCO[C@@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000581586978 348329279 /nfs/dbraw/zinc/32/92/79/348329279.db2.gz FPBCHJLUDBXLKE-VXGBXAGGSA-N 1 0 236.271 1.862 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595770456 348335714 /nfs/dbraw/zinc/33/57/14/348335714.db2.gz VVESHNSJSBBDED-WCQYABFASA-N 1 0 248.282 1.552 20 5 BDBDRO COc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@H](C)[NH3+] ZINC000596013588 348430125 /nfs/dbraw/zinc/43/01/25/348430125.db2.gz IEDXCCPMNDQDAO-YUMQZZPRSA-N 1 0 239.275 1.751 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOCCF)c1 ZINC000596059109 348435529 /nfs/dbraw/zinc/43/55/29/348435529.db2.gz VAFROJFOWKFJCS-UHFFFAOYSA-N 1 0 242.250 1.671 20 5 BDBDRO C[NH2+]C(C)(C)CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596175956 348462095 /nfs/dbraw/zinc/46/20/95/348462095.db2.gz XVBDLZWOYCBHTA-UHFFFAOYSA-N 1 0 240.263 1.105 20 5 BDBDRO Cc1nc(NCC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000124114914 180018669 /nfs/dbraw/zinc/01/86/69/180018669.db2.gz VIEQXBBEVCOQDJ-SSDOTTSWSA-N 1 0 224.264 1.447 20 5 BDBDRO Cc1nn(CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000194433356 180389815 /nfs/dbraw/zinc/38/98/15/180389815.db2.gz GJEFQXGCMULUHH-UHFFFAOYSA-N 1 0 238.291 1.586 20 5 BDBDRO CC[C@@H]([NH3+])CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000231480123 350626646 /nfs/dbraw/zinc/62/66/46/350626646.db2.gz GFCKWHYLPHSWIC-GXSJLCMTSA-N 1 0 237.303 1.983 20 5 BDBDRO [NH3+][C@@H]1CCC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000382426671 350741681 /nfs/dbraw/zinc/74/16/81/350741681.db2.gz MWHWILPDNXAEPA-BDAKNGLRSA-N 1 0 236.275 1.672 20 5 BDBDRO C[C@@H](C[NH3+])N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000383018332 351166505 /nfs/dbraw/zinc/16/65/05/351166505.db2.gz LYCHLCWNVFGHFO-JTQLQIEISA-N 1 0 237.303 1.416 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)C1 ZINC000072634578 351328274 /nfs/dbraw/zinc/32/82/74/351328274.db2.gz OHIDJZQBIRLFKQ-NXEZZACHSA-N 1 0 236.271 1.722 20 5 BDBDRO Cc1c(C[NH2+][C@@H](C)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000231885605 351433979 /nfs/dbraw/zinc/43/39/79/351433979.db2.gz VEGBMRYUPRUHCW-UWVGGRQHSA-N 1 0 238.287 1.762 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1NCCCC[NH3+] ZINC000052812138 352978590 /nfs/dbraw/zinc/97/85/90/352978590.db2.gz RQFUTLKIDCETEI-UHFFFAOYSA-N 1 0 224.264 1.449 20 5 BDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000413054278 191351620 /nfs/dbraw/zinc/35/16/20/191351620.db2.gz PSCYANKEVLIEQU-SSDOTTSWSA-N 1 0 242.254 1.491 20 5 BDBDRO C[C@@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413297885 191370176 /nfs/dbraw/zinc/37/01/76/191370176.db2.gz RYZSIFIWCQTDBZ-ZETCQYMHSA-N 1 0 242.254 1.491 20 5 BDBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C2C[NH2+]C2)n1 ZINC000420253939 192187749 /nfs/dbraw/zinc/18/77/49/192187749.db2.gz FIGKECNCCUQELR-UHFFFAOYSA-N 1 0 236.275 1.015 20 5 BDBDRO C[C@H]([NH3+])CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420362389 192222357 /nfs/dbraw/zinc/22/23/57/192222357.db2.gz OCMIKWIWQCYZAE-JTQLQIEISA-N 1 0 249.314 1.906 20 5 BDBDRO CC[C@@H](NC[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000420391906 192236734 /nfs/dbraw/zinc/23/67/34/192236734.db2.gz BGVKPKOOEVHWFX-BXKDBHETSA-N 1 0 237.303 1.983 20 5 BDBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000088058674 356468321 /nfs/dbraw/zinc/46/83/21/356468321.db2.gz VNRLTWQHWTWQKP-SNVBAGLBSA-N 1 0 235.287 1.389 20 5 BDBDRO C[NH2+]CCN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000346681066 357134035 /nfs/dbraw/zinc/13/40/35/357134035.db2.gz OEWAKLUWYIPTIC-FNORWQNLSA-N 1 0 249.314 1.759 20 5 BDBDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000583182638 357510990 /nfs/dbraw/zinc/51/09/90/357510990.db2.gz HVLJWHHDSMSZKA-NWDGAFQWSA-N 1 0 236.271 1.862 20 5 BDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000044725698 358553125 /nfs/dbraw/zinc/55/31/25/358553125.db2.gz XGNZUXYPUDEJKG-MRVPVSSYSA-N 1 0 249.274 1.033 20 5 BDBDRO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[NH+](C)C ZINC000047873329 358604912 /nfs/dbraw/zinc/60/49/12/358604912.db2.gz BHHYTZUJOUUFIT-MRVPVSSYSA-N 1 0 224.264 1.352 20 5 BDBDRO [NH3+]C1(CNc2ncccc2[N+](=O)[O-])CCC1 ZINC000236200307 181332792 /nfs/dbraw/zinc/33/27/92/181332792.db2.gz USIPRCHELWPCTM-UHFFFAOYSA-N 1 0 222.248 1.283 20 5 BDBDRO CC1(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000434769804 201239149 /nfs/dbraw/zinc/23/91/49/201239149.db2.gz OYRBBCBROBYVTK-UHFFFAOYSA-N 1 0 238.291 1.571 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CCC[NH+]1CCCC1 ZINC000436200974 201315130 /nfs/dbraw/zinc/31/51/30/201315130.db2.gz ZBHUUVPXGHOWNP-UHFFFAOYSA-N 1 0 238.291 1.586 20 5 BDBDRO CC(C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037692363 364525659 /nfs/dbraw/zinc/52/56/59/364525659.db2.gz BNMTVCJJLMIYJA-UHFFFAOYSA-N 1 0 224.260 1.455 20 5 BDBDRO [NH3+]CCCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000181038781 181377891 /nfs/dbraw/zinc/37/78/91/181377891.db2.gz AGWWYUVUFQKWMV-UHFFFAOYSA-N 1 0 243.288 1.125 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@H](C)O ZINC000574228305 365015339 /nfs/dbraw/zinc/01/53/39/365015339.db2.gz VREBDRAIPVXGGU-JTQLQIEISA-N 1 0 238.287 1.764 20 5 BDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[NH3+] ZINC000091549547 369437368 /nfs/dbraw/zinc/43/73/68/369437368.db2.gz VIDDDKWQYIEXGI-UHFFFAOYSA-N 1 0 241.295 1.270 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](O)C1 ZINC000349802607 370505625 /nfs/dbraw/zinc/50/56/25/370505625.db2.gz VOYXZLJJQZSHPZ-FHMRSRPSSA-N 1 0 248.282 1.675 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCC[NH3+] ZINC000123339944 371067132 /nfs/dbraw/zinc/06/71/32/371067132.db2.gz ZLQTYHNDJDHTGO-SNVBAGLBSA-N 1 0 237.303 1.936 20 5 BDBDRO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CC1 ZINC000331998599 371322740 /nfs/dbraw/zinc/32/27/40/371322740.db2.gz ZPVZTVWEDVEUSD-UHFFFAOYSA-N 1 0 238.291 1.560 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](O)C1 ZINC000020941368 371354448 /nfs/dbraw/zinc/35/44/48/371354448.db2.gz NXAWHKBWNHZAIB-NSHDSACASA-N 1 0 236.271 1.552 20 5 BDBDRO Cc1c(C[NH2+][C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000131449437 371606347 /nfs/dbraw/zinc/60/63/47/371606347.db2.gz LFYIPVHRUVLVCN-LLVKDONJSA-N 1 0 236.271 1.782 20 5 BDBDRO C[C@@H]1[NH2+]CC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000600682798 371695412 /nfs/dbraw/zinc/69/54/12/371695412.db2.gz QBRPGEVJOLMGPW-JOYOIKCWSA-N 1 0 235.287 1.435 20 5 BDBDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1csc([N+](=O)[O-])c1 ZINC000601330882 371750160 /nfs/dbraw/zinc/75/01/60/371750160.db2.gz YUMJDMMMRPXIOO-IONNQARKSA-N 1 0 241.316 1.578 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2C[C@H](O)C2)cc1 ZINC000602717956 371832435 /nfs/dbraw/zinc/83/24/35/371832435.db2.gz QVERSYZEBLDFRB-UMSPYCQHSA-N 1 0 236.271 1.250 20 5 BDBDRO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602439071 371803023 /nfs/dbraw/zinc/80/30/23/371803023.db2.gz LONZGWWREIJHGW-UHFFFAOYSA-N 1 0 238.291 1.703 20 5 BDBDRO O=C(CCC1C[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000602434645 371803246 /nfs/dbraw/zinc/80/32/46/371803246.db2.gz XZEPWJMKBOLBMI-UHFFFAOYSA-N 1 0 249.270 1.533 20 5 BDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000602572502 371822910 /nfs/dbraw/zinc/82/29/10/371822910.db2.gz PUMLICUCVPJAPG-GZMMTYOYSA-N 1 0 249.270 1.075 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603086718 371865695 /nfs/dbraw/zinc/86/56/95/371865695.db2.gz IJCMZKSAPYYMDX-JQWIXIFHSA-N 1 0 234.255 1.161 20 5 BDBDRO CC[C@H](C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602788308 371840821 /nfs/dbraw/zinc/84/08/21/371840821.db2.gz PTJHCMNPVCWXLG-VIFPVBQESA-N 1 0 240.307 1.830 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1[C@H](C)C[C@@H]1C ZINC000602819597 371842904 /nfs/dbraw/zinc/84/29/04/371842904.db2.gz CVHCKFZXLCUUMX-DTORHVGOSA-N 1 0 238.291 1.582 20 5 BDBDRO [NH3+][C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000041028130 374052570 /nfs/dbraw/zinc/05/25/70/374052570.db2.gz MBLBTZHMECZBJS-SNVBAGLBSA-N 1 0 249.270 1.158 20 5 BDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000053254189 182237983 /nfs/dbraw/zinc/23/79/83/182237983.db2.gz FASSQYCOCXPLIC-SNVBAGLBSA-N 1 0 249.270 1.077 20 5 BDBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]C2)nc1 ZINC000043220447 182936678 /nfs/dbraw/zinc/93/66/78/182936678.db2.gz YAHRZIMTKUGWEE-VIFPVBQESA-N 1 0 236.275 1.401 20 5 BDBDRO CCC[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000223765370 169392061 /nfs/dbraw/zinc/39/20/61/169392061.db2.gz NNTQLCJBRUUOGU-SNVBAGLBSA-N 1 0 237.259 1.661 20 5 BDBDRO O=[N+]([O-])c1ccccc1CNCc1ncc[nH]1 ZINC000050015649 383888014 /nfs/dbraw/zinc/88/80/14/383888014.db2.gz BJYZWMFRLPSFTB-UHFFFAOYSA-N 1 0 232.243 1.608 20 5 BDBDRO CC[C@H](O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000127381066 383978475 /nfs/dbraw/zinc/97/84/75/383978475.db2.gz RNVNOWGPKKCYFX-NSHDSACASA-N 1 0 238.287 1.845 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCOC2)cc1 ZINC000070069976 384227472 /nfs/dbraw/zinc/22/74/72/384227472.db2.gz QDSBDSGWOCMIKK-LLVKDONJSA-N 1 0 236.271 1.863 20 5 BDBDRO C[C@@H](C[NH+](C)C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000286424106 384385111 /nfs/dbraw/zinc/38/51/11/384385111.db2.gz NEPHFBHKDFEKEN-QMMMGPOBSA-N 1 0 238.291 1.539 20 5 BDBDRO CC[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000084199941 384459029 /nfs/dbraw/zinc/45/90/29/384459029.db2.gz KSZHWFQHNSUFJR-VIFPVBQESA-N 1 0 223.232 1.271 20 5 BDBDRO Cc1ccc([C@H](C)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422917936 384487855 /nfs/dbraw/zinc/48/78/55/384487855.db2.gz GEXNRIVEZWCTEJ-JQWIXIFHSA-N 1 0 249.314 1.916 20 5 BDBDRO CC[N@H+](C)CCNc1ncccc1[N+](=O)[O-] ZINC000049937517 384579715 /nfs/dbraw/zinc/57/97/15/384579715.db2.gz RMKSGDMACAWGTP-UHFFFAOYSA-N 1 0 224.264 1.353 20 5 BDBDRO CO[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310336671 384851223 /nfs/dbraw/zinc/85/12/23/384851223.db2.gz LKRYWRHFCOYAKG-QMMMGPOBSA-N 1 0 242.250 1.858 20 5 BDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000106883050 384935689 /nfs/dbraw/zinc/93/56/89/384935689.db2.gz DGMWKVYIAOSUPM-LBPRGKRZSA-N 1 0 236.271 1.816 20 5 BDBDRO C[C@@H](CO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000086622720 385028970 /nfs/dbraw/zinc/02/89/70/385028970.db2.gz YDLDIBHORHVSKL-NXEZZACHSA-N 1 0 238.287 1.874 20 5 BDBDRO C[NH+](C)[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000263987442 385189339 /nfs/dbraw/zinc/18/93/39/385189339.db2.gz FAEPGWLPYZFBNR-SECBINFHSA-N 1 0 236.275 1.130 20 5 BDBDRO O=[N+]([O-])c1ncccc1OCC[C@@H]1CC[NH2+]C1 ZINC000563078829 385460101 /nfs/dbraw/zinc/46/01/01/385460101.db2.gz IYUWBHKOIAYOSS-VIFPVBQESA-N 1 0 237.259 1.368 20 5 BDBDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000291281002 385852452 /nfs/dbraw/zinc/85/24/52/385852452.db2.gz QJVVSQQEGOJOJA-UWVGGRQHSA-N 1 0 238.287 1.968 20 5 BDBDRO C[C@H]1[NH2+]CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000396712705 385792653 /nfs/dbraw/zinc/79/26/53/385792653.db2.gz RQOVDMBRUNETKN-ZWNOBZJWSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000396712702 385793624 /nfs/dbraw/zinc/79/36/24/385793624.db2.gz RQOVDMBRUNETKN-MFKMUULPSA-N 1 0 249.314 1.825 20 5 BDBDRO CC[C@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1C ZINC000414974186 386005846 /nfs/dbraw/zinc/00/58/46/386005846.db2.gz DCQVRDCBDFPBBP-NSHDSACASA-N 1 0 237.303 1.730 20 5 BDBDRO CC[C@H]([NH3+])CNCc1cccc([N+](=O)[O-])c1 ZINC000414984624 386095852 /nfs/dbraw/zinc/09/58/52/386095852.db2.gz VGVSBKKEBHMBKI-JTQLQIEISA-N 1 0 223.276 1.422 20 5 BDBDRO Cc1ccc(CNC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414893811 386159482 /nfs/dbraw/zinc/15/94/82/386159482.db2.gz KKLYWWZNGNYZMJ-LBPRGKRZSA-N 1 0 249.314 1.730 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]([NH3+])C1CC1 ZINC000414895665 386193721 /nfs/dbraw/zinc/19/37/21/386193721.db2.gz YLWKPTJDBOIWPC-ZDUSSCGKSA-N 1 0 249.314 1.730 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN[C@H]1CC[NH2+]C1 ZINC000086729650 386493080 /nfs/dbraw/zinc/49/30/80/386493080.db2.gz HPHNXUGPVUKJHF-JTQLQIEISA-N 1 0 221.260 1.046 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH3+])[C@@H]1C ZINC000414764980 386787661 /nfs/dbraw/zinc/78/76/61/386787661.db2.gz FJHDFOWHJQFGQP-GWCFXTLKSA-N 1 0 249.314 1.825 20 5 BDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1([NH3+])CC1 ZINC000088130467 386841088 /nfs/dbraw/zinc/84/10/88/386841088.db2.gz WSUSAHPSRGSUDD-UHFFFAOYSA-N 1 0 249.270 1.045 20 5 BDBDRO Cc1ccc(NC(=O)C2(C)C[NH2+]C2)cc1[N+](=O)[O-] ZINC000399186260 387040181 /nfs/dbraw/zinc/04/01/81/387040181.db2.gz WCKWFDGHTRPXQQ-UHFFFAOYSA-N 1 0 249.270 1.451 20 5 BDBDRO Cc1ccc(CN[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414797351 387069681 /nfs/dbraw/zinc/06/96/81/387069681.db2.gz INSFPTJFDPFXRP-LBPRGKRZSA-N 1 0 249.314 1.730 20 5 BDBDRO CCC[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000223765432 387247263 /nfs/dbraw/zinc/24/72/63/387247263.db2.gz NNTQLCJBRUUOGU-JTQLQIEISA-N 1 0 237.259 1.661 20 5 BDBDRO CC[NH2+]CCNCc1ccccc1[N+](=O)[O-] ZINC000414832892 387292812 /nfs/dbraw/zinc/29/28/12/387292812.db2.gz ROUZMCOLSWLLAM-UHFFFAOYSA-N 1 0 223.276 1.294 20 5 BDBDRO Cc1n[nH]cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000037989235 387463416 /nfs/dbraw/zinc/46/34/16/387463416.db2.gz GMDRZALHBXZEKA-UHFFFAOYSA-N 1 0 246.270 1.916 20 5 BDBDRO Cc1ccc(CN[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414922617 387607271 /nfs/dbraw/zinc/60/72/71/387607271.db2.gz CSEHMEYRPCNUFC-SECBINFHSA-N 1 0 223.276 1.340 20 5 BDBDRO CC[C@@H]([NH3+])CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414979650 387626651 /nfs/dbraw/zinc/62/66/51/387626651.db2.gz OASFVJYJDHGQNL-SMYYYNMVSA-N 1 0 249.314 1.935 20 5 BDBDRO Cc1c(CN2CC[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000054374326 387560335 /nfs/dbraw/zinc/56/03/35/387560335.db2.gz OCCUOOPPPJXBKA-SNVBAGLBSA-N 1 0 249.314 1.697 20 5 BDBDRO Cc1ccc(CN[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415006667 387650701 /nfs/dbraw/zinc/65/07/01/387650701.db2.gz KUVYATSCWWODQV-NXEZZACHSA-N 1 0 237.303 1.729 20 5 BDBDRO Cc1ccc(CN[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415006672 387652396 /nfs/dbraw/zinc/65/23/96/387652396.db2.gz KUVYATSCWWODQV-ZJUUUORDSA-N 1 0 237.303 1.729 20 5 BDBDRO C[NH2+]CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000227860028 388371945 /nfs/dbraw/zinc/37/19/45/388371945.db2.gz ZOLQYKGGVKWLTC-UHFFFAOYSA-N 1 0 243.238 1.374 20 5 BDBDRO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000134180805 388394967 /nfs/dbraw/zinc/39/49/67/388394967.db2.gz YJBHGOXMACEMHL-BXKDBHETSA-N 1 0 236.271 1.862 20 5 BDBDRO CN(CC[NH3+])c1ccc([N+](=O)[O-])c2cccnc21 ZINC000054419560 388518800 /nfs/dbraw/zinc/51/88/00/388518800.db2.gz UABHIZADZDDPQE-UHFFFAOYSA-N 1 0 246.270 1.538 20 5 BDBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000422950532 388686484 /nfs/dbraw/zinc/68/64/84/388686484.db2.gz WIAQGYCBOAKIKD-SECBINFHSA-N 1 0 235.287 1.292 20 5 BDBDRO CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447513416 388736316 /nfs/dbraw/zinc/73/63/16/388736316.db2.gz VZBVYJDMOMLOJB-VHSXEESVSA-N 1 0 238.291 1.885 20 5 BDBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cocn2)c1 ZINC000277071396 388744837 /nfs/dbraw/zinc/74/48/37/388744837.db2.gz SNVNJIWSAGJEMD-UHFFFAOYSA-N 1 0 247.254 1.915 20 5 BDBDRO O=[N+]([O-])c1ccc2[nH]c(O[C@H]3CC[NH2+]C3)nc2c1 ZINC000094772347 388754916 /nfs/dbraw/zinc/75/49/16/388754916.db2.gz FHKRZJIJGCWVHD-QMMMGPOBSA-N 1 0 248.242 1.212 20 5 BDBDRO CC[C@H](N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422839539 388687039 /nfs/dbraw/zinc/68/70/39/388687039.db2.gz QMFJUPKNJODENC-AAEUAGOBSA-N 1 0 249.314 1.997 20 5 BDBDRO [NH3+]CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423176377 388688895 /nfs/dbraw/zinc/68/88/95/388688895.db2.gz BXLUNQVZRRWGFL-LBPRGKRZSA-N 1 0 235.287 1.521 20 5 BDBDRO C[C@@H](C[NH3+])N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423372588 388691141 /nfs/dbraw/zinc/69/11/41/388691141.db2.gz RERYEQVOXZTGEM-IUCAKERBSA-N 1 0 223.276 1.593 20 5 BDBDRO C[C@@H](NC[C@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423314162 388691297 /nfs/dbraw/zinc/69/12/97/388691297.db2.gz GRXMENKDCNIPLY-RNCFNFMXSA-N 1 0 249.314 1.983 20 5 BDBDRO C[C@@H](CN)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423405335 388692274 /nfs/dbraw/zinc/69/22/74/388692274.db2.gz TUGSCZPNQREJFG-UWVGGRQHSA-N 1 0 237.303 1.463 20 5 BDBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000424330465 388695853 /nfs/dbraw/zinc/69/58/53/388695853.db2.gz IBKXMBYYEVBECI-VXGBXAGGSA-N 1 0 249.314 1.954 20 5 BDBDRO C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332718082 388798350 /nfs/dbraw/zinc/79/83/50/388798350.db2.gz NBABRUOJEUQDEP-VIFPVBQESA-N 1 0 236.271 1.334 20 5 BDBDRO Cc1ccc(C[NH2+]CCCCO)cc1[N+](=O)[O-] ZINC000193283358 388844236 /nfs/dbraw/zinc/84/42/36/388844236.db2.gz YWFPOWCTEWPHGC-UHFFFAOYSA-N 1 0 238.287 1.765 20 5 BDBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000131174487 388841568 /nfs/dbraw/zinc/84/15/68/388841568.db2.gz IRCWUEQIKNSBLF-WPRPVWTQSA-N 1 0 238.287 1.935 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH2+][C@H](C)C1 ZINC000052812140 132229499 /nfs/dbraw/zinc/22/94/99/132229499.db2.gz UGLZZTYOKPHCPH-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO Cc1cnc(N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000090692556 132237039 /nfs/dbraw/zinc/23/70/39/132237039.db2.gz OQHRBSVLUGZKBR-SECBINFHSA-N 1 0 236.275 1.226 20 5 BDBDRO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000053711577 132363407 /nfs/dbraw/zinc/36/34/07/132363407.db2.gz QYZRCXAAGFLWQR-DTORHVGOSA-N 1 0 236.275 1.176 20 5 BDBDRO Cc1cccc(N2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000235925737 132427738 /nfs/dbraw/zinc/42/77/38/132427738.db2.gz GCYXLNWKHZUCPR-JTQLQIEISA-N 1 0 235.287 1.831 20 5 BDBDRO Cc1ccc(CN2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000347034224 133802813 /nfs/dbraw/zinc/80/28/13/133802813.db2.gz FQBWGCFONLCJNT-LLVKDONJSA-N 1 0 249.314 1.697 20 5 BDBDRO C[C@H](CN(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000168602744 134231204 /nfs/dbraw/zinc/23/12/04/134231204.db2.gz DRJOPYDOZDSAOL-SNVBAGLBSA-N 1 0 237.303 1.635 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[NH2+]C2)c1 ZINC000087151061 135107845 /nfs/dbraw/zinc/10/78/45/135107845.db2.gz VVZWJJZBWYQWFC-SECBINFHSA-N 1 0 221.260 1.677 20 5 BDBDRO Cc1cc(N[C@@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000261540375 135179265 /nfs/dbraw/zinc/17/92/65/135179265.db2.gz ABDRTHIAOINDAK-MRVPVSSYSA-N 1 0 239.250 1.816 20 5 BDBDRO Cc1cc(N2C[C@H](C)[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000261544185 135185143 /nfs/dbraw/zinc/18/51/43/135185143.db2.gz XONBTKGWOXRNJP-DTWKUNHWSA-N 1 0 236.275 1.082 20 5 BDBDRO C[C@@H](C[NH3+])N(C)Cc1csc([N+](=O)[O-])c1 ZINC000261551050 135190453 /nfs/dbraw/zinc/19/04/53/135190453.db2.gz QAACLNUIKZPLPR-ZETCQYMHSA-N 1 0 229.305 1.435 20 5 BDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000261567824 135209535 /nfs/dbraw/zinc/20/95/35/135209535.db2.gz ITBBOGKLAKCAFF-MFKMUULPSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@@H]1C[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000261567827 135209545 /nfs/dbraw/zinc/20/95/45/135209545.db2.gz ITBBOGKLAKCAFF-ZWNOBZJWSA-N 1 0 249.314 1.682 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000261581526 135222007 /nfs/dbraw/zinc/22/20/07/135222007.db2.gz QQGRZRDOPPLVFM-UWVGGRQHSA-N 1 0 248.286 1.036 20 5 BDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000261583713 135224241 /nfs/dbraw/zinc/22/42/41/135224241.db2.gz RWLCBIUKNCOFKR-GZMMTYOYSA-N 1 0 249.270 1.157 20 5 BDBDRO C[NH2+]CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000261587910 135228498 /nfs/dbraw/zinc/22/84/98/135228498.db2.gz RYLVCCPHJCZJTC-UHFFFAOYSA-N 1 0 227.239 1.674 20 5 BDBDRO C[C@@H]([NH3+])[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000261595126 135234780 /nfs/dbraw/zinc/23/47/80/135234780.db2.gz XWNHZWPPFOQHCZ-RQJHMYQMSA-N 1 0 227.239 1.882 20 5 BDBDRO C[C@@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414942976 398026349 /nfs/dbraw/zinc/02/63/49/398026349.db2.gz DXNGHJCZXJPONU-ZYHUDNBSSA-N 1 0 249.314 1.825 20 5 BDBDRO CC[C@@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000080108746 171171544 /nfs/dbraw/zinc/17/15/44/171171544.db2.gz COAHVBLOPMTLCJ-LBPRGKRZSA-N 1 0 238.287 1.845 20 5 BDBDRO CC[C@H](C)[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000183027766 171389077 /nfs/dbraw/zinc/38/90/77/171389077.db2.gz OWFCWSOENKIRDD-UWVGGRQHSA-N 1 0 240.307 1.816 20 5 BDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)[NH3+] ZINC000129674793 172248379 /nfs/dbraw/zinc/24/83/79/172248379.db2.gz YDNWLDDJHGABCN-UHFFFAOYSA-N 1 0 241.295 1.269 20 5 BDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000058233542 172340739 /nfs/dbraw/zinc/34/07/39/172340739.db2.gz RVMXCRVHZITTKU-LLVKDONJSA-N 1 0 249.270 1.029 20 5 BDBDRO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000058233545 172343501 /nfs/dbraw/zinc/34/35/01/172343501.db2.gz UNDRFPQQKCHXEF-SECBINFHSA-N 1 0 249.270 1.029 20 5 BDBDRO C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195505312 173018787 /nfs/dbraw/zinc/01/87/87/173018787.db2.gz HCLSFOAXYRHRJS-UHFFFAOYSA-N 1 0 242.304 1.193 20 5 BDBDRO C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000005689601 173019093 /nfs/dbraw/zinc/01/90/93/173019093.db2.gz YUUQXHINSCNVDK-UHFFFAOYSA-N 1 0 236.275 1.132 20 5 BDBDRO C[N@@H+]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000024106651 173019265 /nfs/dbraw/zinc/01/92/65/173019265.db2.gz QHTMRJZDSOFAEE-UHFFFAOYSA-N 1 0 236.275 1.132 20 5 BDBDRO CN1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 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C[NH2+]C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000071142018 173370682 /nfs/dbraw/zinc/37/06/82/173370682.db2.gz WJYOZEWOQCIDQF-NSHDSACASA-N 1 0 249.314 1.636 20 5 BDBDRO C[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035697381 173395811 /nfs/dbraw/zinc/39/58/11/173395811.db2.gz RHUDWUPXFGBRGH-UHFFFAOYSA-N 1 0 234.215 1.364 20 5 BDBDRO COCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020085622 174338214 /nfs/dbraw/zinc/33/82/14/174338214.db2.gz FGSUVKKVNSWIDR-VIFPVBQESA-N 1 0 224.260 1.892 20 5 BDBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000351956983 176308182 /nfs/dbraw/zinc/30/81/82/176308182.db2.gz DTQOASSSMZZCST-BXKDBHETSA-N 1 0 236.271 1.407 20 5 BDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccccc1[N+](=O)[O-] ZINC000131734604 176367916 /nfs/dbraw/zinc/36/79/16/176367916.db2.gz OQOZEKYYOLCFFT-MNOVXSKESA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226784259 176458717 /nfs/dbraw/zinc/45/87/17/176458717.db2.gz 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C[S@@](=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000124188254 589959203 /nfs/dbraw/zinc/95/92/03/589959203.db2.gz OFYXVROCBQFHOC-INIZCTEOSA-N 1 0 242.300 1.063 20 5 BDBDRO Cn1cc(C[N@@H+]2CC[C@@H](CF)C2)c([N+](=O)[O-])n1 ZINC000880301678 590998910 /nfs/dbraw/zinc/99/89/10/590998910.db2.gz WRCXCCRWEUWYMZ-QMMMGPOBSA-N 1 0 242.254 1.120 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC=C[C@H]2CO)cc1 ZINC000880486945 591064877 /nfs/dbraw/zinc/06/48/77/591064877.db2.gz RJQZWCBQUKHAAY-ZDUSSCGKSA-N 1 0 248.282 1.370 20 5 BDBDRO O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC[NH2+]C1 ZINC000132236546 591693987 /nfs/dbraw/zinc/69/39/87/591693987.db2.gz MSJWAUUZYYZTMZ-LLVKDONJSA-N 1 0 249.314 1.684 20 5 BDBDRO C[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134756633 591949205 /nfs/dbraw/zinc/94/92/05/591949205.db2.gz ZZXWKMJXEJMCBD-FXAINCCUSA-N 1 0 236.271 1.626 20 5 BDBDRO C[C@H](NCc1cccnc1[N+](=O)[O-])c1cn[nH]c1 ZINC000886131617 592159512 /nfs/dbraw/zinc/15/95/12/592159512.db2.gz 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CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905127270 637641337 /nfs/dbraw/zinc/64/13/37/637641337.db2.gz JXZBNPLOMSZZRD-QWRGUYRKSA-N 1 0 244.335 1.694 20 5 BDBDRO Cc1ccc(CC[C@@H](C)[NH2+]CC[N+](=O)[O-])o1 ZINC000905133125 637644013 /nfs/dbraw/zinc/64/40/13/637644013.db2.gz DICDCGBQURRCNC-SECBINFHSA-N 1 0 226.276 1.775 20 5 BDBDRO CC[C@@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905134331 637644026 /nfs/dbraw/zinc/64/40/26/637644026.db2.gz TZGCZGIXZHEGBO-ZJUUUORDSA-N 1 0 200.282 1.822 20 5 BDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000905140809 637649898 /nfs/dbraw/zinc/64/98/98/637649898.db2.gz XPOKCMLHUIDBNF-VIFPVBQESA-N 1 0 242.250 1.459 20 5 BDBDRO Cc1ccc2[nH]c(CNCC[N+](=O)[O-])nc2c1 ZINC000905147745 637657448 /nfs/dbraw/zinc/65/74/48/637657448.db2.gz RMXLZKFEWDVBAC-UHFFFAOYSA-N 1 0 234.259 1.238 20 5 BDBDRO CC(C)OC1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905179234 637661557 /nfs/dbraw/zinc/66/15/57/637661557.db2.gz IUDOZNLVWDSUBB-UHFFFAOYSA-N 1 0 230.308 1.589 20 5 BDBDRO CC(C)[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905194669 637673156 /nfs/dbraw/zinc/67/31/56/637673156.db2.gz KUJXNSRWQKYGRW-VHSXEESVSA-N 1 0 216.281 1.056 20 5 BDBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905201361 637694103 /nfs/dbraw/zinc/69/41/03/637694103.db2.gz IGODVFKIWUBWMU-WDEREUQCSA-N 1 0 230.308 1.446 20 5 BDBDRO C[C@@H]1CC[C@@H]([NH2+]CC[N+](=O)[O-])C[C@H]1C ZINC000905211157 637697204 /nfs/dbraw/zinc/69/72/04/637697204.db2.gz YKPUDUIEEQNANH-OPRDCNLKSA-N 1 0 200.282 1.677 20 5 BDBDRO C[C@@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])C[C@H]1C ZINC000905211155 637698408 /nfs/dbraw/zinc/69/84/08/637698408.db2.gz YKPUDUIEEQNANH-BBBLOLIVSA-N 1 0 200.282 1.677 20 5 BDBDRO C[C@@]1(C[NH2+]CC[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000905214895 637700220 /nfs/dbraw/zinc/70/02/20/637700220.db2.gz KUARZGDENIHQQK-QWRGUYRKSA-N 1 0 228.292 1.058 20 5 BDBDRO CSc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905243209 637703129 /nfs/dbraw/zinc/70/31/29/637703129.db2.gz HKRUKOOMIUBYCC-UHFFFAOYSA-N 1 0 240.328 1.817 20 5 BDBDRO CC1(C)C(C[NH2+]CC[N+](=O)[O-])C1(C)C ZINC000905246277 637705718 /nfs/dbraw/zinc/70/57/18/637705718.db2.gz CBXLUJPNDOFNRL-UHFFFAOYSA-N 1 0 200.282 1.535 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000905271402 637730101 /nfs/dbraw/zinc/73/01/01/637730101.db2.gz BVNFWTOGABXRPH-JTQLQIEISA-N 1 0 228.292 1.202 20 5 BDBDRO COc1cccc(C[NH2+]CC[N+](=O)[O-])c1C ZINC000905381072 637781939 /nfs/dbraw/zinc/78/19/39/637781939.db2.gz JVPAYQIFSGDUJM-UHFFFAOYSA-N 1 0 224.260 1.370 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC[C@H]1CCCS1 ZINC000905404780 637796918 /nfs/dbraw/zinc/79/69/18/637796918.db2.gz OKLQCZSKDYWKCI-MRVPVSSYSA-N 1 0 204.295 1.138 20 5 BDBDRO CC1(C)CC[C@H](C[NH2+]CC[N+](=O)[O-])OC1 ZINC000905419277 637804468 /nfs/dbraw/zinc/80/44/68/637804468.db2.gz UUWIEQIEVATBLE-SECBINFHSA-N 1 0 216.281 1.058 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000905587663 637856012 /nfs/dbraw/zinc/85/60/12/637856012.db2.gz 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GQVJECFAEIJVTE-QMMMGPOBSA-N 1 0 204.295 1.091 20 5 BDBDRO CNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000231865023 641208796 /nfs/dbraw/zinc/20/87/96/641208796.db2.gz YCNCDBNGXKZGQI-UHFFFAOYSA-N 1 0 222.248 1.147 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934833506 641283536 /nfs/dbraw/zinc/28/35/36/641283536.db2.gz XKBOWQZHMFEGDE-NEPJUHHUSA-N 1 0 242.319 1.402 20 5 BDBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CC[N+](=O)[O-] ZINC000929706256 641409962 /nfs/dbraw/zinc/40/99/62/641409962.db2.gz ZYJGZNVVWUZCKO-VHSXEESVSA-N 1 0 200.282 1.774 20 5 BDBDRO CC[NH+](CC)CCn1ccnc1[N+](=O)[O-] ZINC000918379468 642191744 /nfs/dbraw/zinc/19/17/44/642191744.db2.gz XWCDKMQABSMTNH-UHFFFAOYSA-N 1 0 212.253 1.133 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000930039777 642271213 /nfs/dbraw/zinc/27/12/13/642271213.db2.gz PIGRGMLBRXCJIY-ZDUSSCGKSA-N 1 0 249.314 1.840 20 5 BDBDRO CC(C)[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000920484122 642509668 /nfs/dbraw/zinc/50/96/68/642509668.db2.gz CDUKWFBLAHYZSZ-SNVBAGLBSA-N 1 0 238.291 1.869 20 5 BDBDRO CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000071309383 643122099 /nfs/dbraw/zinc/12/20/99/643122099.db2.gz UFBUVGIHAUZPEQ-LBPRGKRZSA-N 1 0 235.287 1.389 20 5 BDBDRO CC[N@H+](CC(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000193397980 644239184 /nfs/dbraw/zinc/23/91/84/644239184.db2.gz YEPNJKOTLGTIJL-UHFFFAOYSA-N 1 0 226.280 1.727 20 5 BDBDRO CCC1(C)CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929462078 646128715 /nfs/dbraw/zinc/12/87/15/646128715.db2.gz PCGKXGJSBYHKRP-UHFFFAOYSA-N 1 0 200.282 1.775 20 5 BDBDRO O=[N+]([O-])CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929687095 646242951 /nfs/dbraw/zinc/24/29/51/646242951.db2.gz KCYPRQGLOCFIAD-LBPRGKRZSA-N 1 0 241.335 1.213 20 5 BDBDRO CC[C@@H](CSC)[N@H+](C)CC[N+](=O)[O-] ZINC000930179394 646481989 /nfs/dbraw/zinc/48/19/89/646481989.db2.gz KGTBWOMLGBPZOJ-QMMMGPOBSA-N 1 0 206.311 1.337 20 5 BDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000930190347 646484870 /nfs/dbraw/zinc/48/48/70/646484870.db2.gz ULMFSUXQNFWHQT-QMMMGPOBSA-N 1 0 238.243 1.343 20 5 BDBDRO C[NH2+]Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178280 711504694 /nfs/dbraw/zinc/50/46/94/711504694.db2.gz ACYRJEFBOUJETJ-UHFFFAOYSA-N 1 0 248.242 1.673 20 5 BDBDRO CC1([NH3+])CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000704556043 712110988 /nfs/dbraw/zinc/11/09/88/712110988.db2.gz KVXAKXPHNOOGFP-UHFFFAOYSA-N 1 0 235.287 1.912 20 5 BDBDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000712527884 712441041 /nfs/dbraw/zinc/44/10/41/712441041.db2.gz IFOVXHSBOSFSLI-CYBMUJFWSA-N 1 0 249.314 1.779 20 5 BDBDRO Cc1ccc(CN(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000714069906 712477922 /nfs/dbraw/zinc/47/79/22/712477922.db2.gz LQNBPQWWBDXKIM-SNVBAGLBSA-N 1 0 237.303 1.682 20 5 BDBDRO [NH3+]C1CC(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000718110054 712743314 /nfs/dbraw/zinc/74/33/14/712743314.db2.gz PNYJOFJWQIQWPR-UHFFFAOYSA-N 1 0 249.270 1.661 20 5 BDBDRO COC1=CC[C@@H](OCC[N+](C)(C)C)CC1 ZINC001224774346 964937915 /nfs/dbraw/zinc/93/79/15/964937915.db2.gz RBVFJKLUSDJDLD-GFCCVEGCSA-N 1 0 214.329 1.792 20 5 BDBDRO COCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168957797 969307558 /nfs/dbraw/zinc/30/75/58/969307558.db2.gz JAAVSJWXHDGBEP-ZJUUUORDSA-N 1 0 216.281 1.058 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2CO)C1 ZINC001169006193 969329953 /nfs/dbraw/zinc/32/99/53/969329953.db2.gz FXYDCXDXVLQCRU-WOPDTQHZSA-N 1 0 242.319 1.279 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](O)CC2)C1 ZINC001169009093 969333280 /nfs/dbraw/zinc/33/32/80/969333280.db2.gz VJJZHRWFWDBVDM-WOPDTQHZSA-N 1 0 242.319 1.279 20 5 BDBDRO CO[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169010000 969334776 /nfs/dbraw/zinc/33/47/76/969334776.db2.gz AFYRQGRUEBZDHH-GMTAPVOTSA-N 1 0 228.292 1.153 20 5 BDBDRO Cn1cc([C@@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C)cn1 ZINC001332725684 975273107 /nfs/dbraw/zinc/27/31/07/975273107.db2.gz BDUSMODVZRBFSG-SNVBAGLBSA-N 1 0 240.307 1.374 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(O)cc1 ZINC001227442531 975413906 /nfs/dbraw/zinc/41/39/06/975413906.db2.gz NOOBQFMPYQTTAW-SNVBAGLBSA-O 1 0 210.297 1.866 20 5 BDBDRO CCOC(=O)[C@H](OCCC[N+](C)(C)C)C1CC1 ZINC001224621383 973802501 /nfs/dbraw/zinc/80/25/01/973802501.db2.gz SIQKSLZJHMPJTO-GFCCVEGCSA-N 1 0 244.355 1.441 20 5 BDBDRO COc1ncc(Nc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC001210134842 957648228 /nfs/dbraw/zinc/64/82/28/957648228.db2.gz KVNSARKWTFFGNQ-UHFFFAOYSA-N 1 0 246.226 1.559 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCc1ccncc1 ZINC001222128633 972377323 /nfs/dbraw/zinc/37/73/23/972377323.db2.gz AMGROWVSLCEPGB-NSHDSACASA-N 1 0 209.313 1.693 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CC[NH2+]C1)C2 ZINC001327086928 972399815 /nfs/dbraw/zinc/39/98/15/972399815.db2.gz HEALLJZOUPPVHO-JTQLQIEISA-N 1 0 247.298 1.520 20 5 BDBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1C[NH2+][C@H]1C ZINC001218382653 960022281 /nfs/dbraw/zinc/02/22/81/960022281.db2.gz DCRMVZWYNJUENT-GXSJLCMTSA-N 1 0 236.271 1.951 20 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248.242 1.248 20 5 BDBDRO Cc1nc(-n2cccc2C[NH3+])ccc1[N+](=O)[O-] ZINC001156723720 963445616 /nfs/dbraw/zinc/44/56/16/963445616.db2.gz COUUYFOKOXVQNE-UHFFFAOYSA-N 1 0 232.243 1.548 20 5 BDBDRO Cc1c(C)c(-n2cc(C[NH3+])cn2)ncc1[N+](=O)[O-] ZINC001157474647 963625563 /nfs/dbraw/zinc/62/55/63/963625563.db2.gz IJNZTLUBXPXPID-UHFFFAOYSA-N 1 0 247.258 1.251 20 5 BDBDRO Cc1cnc(N(C)C(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000714242792 963637100 /nfs/dbraw/zinc/63/71/00/963637100.db2.gz NYRHJPLWOOHEJU-UHFFFAOYSA-N 1 0 238.291 1.472 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH2+]C2(CC2)C1 ZINC001158932763 963959875 /nfs/dbraw/zinc/95/98/75/963959875.db2.gz DMRNZPKUFPHDGH-UHFFFAOYSA-N 1 0 248.286 1.240 20 5 BDBDRO COC(CCO[C@H](C)C[N+](C)(C)C)OC ZINC001224350314 964563508 /nfs/dbraw/zinc/56/35/08/964563508.db2.gz MKMXMBRZCHONNX-SNVBAGLBSA-N 1 0 220.333 1.107 20 5 BDBDRO Cc1cccc(-n2cnc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001162301727 964917219 /nfs/dbraw/zinc/91/72/19/964917219.db2.gz BXKKLYQAWILAGI-UHFFFAOYSA-N 1 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SKNZTBQANPVNDP-GHMZBOCLSA-N 1 0 246.371 1.828 20 5 BDBDRO CCOc1cc(NOCC[NH3+])ccc1[N+](=O)[O-] ZINC001164436134 968232719 /nfs/dbraw/zinc/23/27/19/968232719.db2.gz WTKAHTVLTLXGQW-UHFFFAOYSA-N 1 0 241.247 1.296 20 5 BDBDRO CC(C)OCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976513 969296168 /nfs/dbraw/zinc/29/61/68/969296168.db2.gz DGJXEWUVNUAFMT-NEPJUHHUSA-N 1 0 244.335 1.837 20 5 BDBDRO CCCOCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977483 969296329 /nfs/dbraw/zinc/29/63/29/969296329.db2.gz KDWLQLMGIFIMPC-NWDGAFQWSA-N 1 0 244.335 1.838 20 5 BDBDRO C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)CN ZINC001168985594 969300442 /nfs/dbraw/zinc/30/04/42/969300442.db2.gz TXRHQHYJDHZKSG-ZJUUUORDSA-N 1 0 229.324 1.101 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccncc2)C1 ZINC001168956267 969303237 /nfs/dbraw/zinc/30/32/37/969303237.db2.gz DFPCTIARKSMCAC-QWHCGFSZSA-N 1 0 249.314 1.659 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC001168957457 969306669 /nfs/dbraw/zinc/30/66/69/969306669.db2.gz HTIVXMQUTSRQSK-ONGXEEELSA-N 1 0 212.293 1.964 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C23CC(C2)C3)C1 ZINC001168956503 969308214 /nfs/dbraw/zinc/30/82/14/969308214.db2.gz BHDWYXDFTHLYSE-QPBDYMMBSA-N 1 0 210.277 1.574 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCCCO)C1 ZINC001168959434 969309227 /nfs/dbraw/zinc/30/92/27/969309227.db2.gz VXZDZLGBRVFOGH-QWRGUYRKSA-N 1 0 230.308 1.184 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2O)C1 ZINC001168958926 969309291 /nfs/dbraw/zinc/30/92/91/969309291.db2.gz RISMJDCKGDBEAA-BJDJZHNGSA-N 1 0 242.319 1.325 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccccn2)C1 ZINC001168958822 969309717 /nfs/dbraw/zinc/30/97/17/969309717.db2.gz QCNYPHMJUWTRAP-AAEUAGOBSA-N 1 0 249.314 1.659 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001168959569 969310347 /nfs/dbraw/zinc/31/03/47/969310347.db2.gz WWLJGSOKVRUCIN-NWDGAFQWSA-N 1 0 242.319 1.448 20 5 BDBDRO Cc1cccnc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958535 969310384 /nfs/dbraw/zinc/31/03/84/969310384.db2.gz ODLSERQWZURSPW-NWDGAFQWSA-N 1 0 249.314 1.925 20 5 BDBDRO Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168959403 969310817 /nfs/dbraw/zinc/31/08/17/969310817.db2.gz VRDYWYMIGMWPBI-VXGBXAGGSA-N 1 0 249.314 1.925 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001168963131 969315128 /nfs/dbraw/zinc/31/51/28/969315128.db2.gz NSNFFSKZHOVIAV-VHSXEESVSA-N 1 0 236.275 1.012 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C1 ZINC001168963001 969315696 /nfs/dbraw/zinc/31/56/96/969315696.db2.gz NMWONDCBTBOAMT-DDHJBXDOSA-N 1 0 242.319 1.325 20 5 BDBDRO CC(=O)C(C)(C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168963181 969315937 /nfs/dbraw/zinc/31/59/37/969315937.db2.gz OMEKEQUHMRLZLH-NXEZZACHSA-N 1 0 228.292 1.389 20 5 BDBDRO Cc1nocc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965268 969317675 /nfs/dbraw/zinc/31/76/75/969317675.db2.gz YXRVEEVRPIHDDG-ONGXEEELSA-N 1 0 239.275 1.518 20 5 BDBDRO CC(C)(C)C(=O)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966974 969320322 /nfs/dbraw/zinc/32/03/22/969320322.db2.gz MNWQRELMKMZBIS-VHSXEESVSA-N 1 0 242.319 1.637 20 5 BDBDRO CC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168968204 969321642 /nfs/dbraw/zinc/32/16/42/969321642.db2.gz XKLJNZOJDPKHOK-ZJUUUORDSA-N 1 0 212.293 1.964 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccnnc2)C1 ZINC001168967908 969321725 /nfs/dbraw/zinc/32/17/25/969321725.db2.gz UMTOTDVNANPPPC-KOLCDFICSA-N 1 0 236.275 1.012 20 5 BDBDRO CO[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168971441 969323983 /nfs/dbraw/zinc/32/39/83/969323983.db2.gz KZBLYGIYZQSAKU-LMLFDSFASA-N 1 0 228.292 1.199 20 5 BDBDRO CCC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)COC1 ZINC001168975197 969324987 /nfs/dbraw/zinc/32/49/87/969324987.db2.gz UQJKIVJMFAVLPS-VHSXEESVSA-N 1 0 228.292 1.200 20 5 BDBDRO CCC[C@@H](CCO)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168996506 969326875 /nfs/dbraw/zinc/32/68/75/969326875.db2.gz VHRNXRSXWVWHGU-SDDRHHMPSA-N 1 0 244.335 1.573 20 5 BDBDRO C[C@]1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOC1 ZINC001168997571 969327023 /nfs/dbraw/zinc/32/70/23/969327023.db2.gz DMYPILHXGNSGML-MXWKQRLJSA-N 1 0 228.292 1.200 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC(C3COC3)C2)C1 ZINC001169005700 969331405 /nfs/dbraw/zinc/33/14/05/969331405.db2.gz CICBPBKTSKYVFE-JOYOIKCWSA-N 1 0 240.303 1.010 20 5 BDBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169007714 969332372 /nfs/dbraw/zinc/33/23/72/969332372.db2.gz PTZZJKPCFBZVBJ-ZYHUDNBSSA-N 1 0 242.319 1.543 20 5 BDBDRO C[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011550 969336721 /nfs/dbraw/zinc/33/67/21/969336721.db2.gz KVHUJMKCZUWWNC-ZNSHCXBVSA-N 1 0 230.283 1.864 20 5 BDBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169012181 969339957 /nfs/dbraw/zinc/33/99/57/969339957.db2.gz OOWUZUBXDQQHMA-GMTAPVOTSA-N 1 0 228.292 1.153 20 5 BDBDRO C[NH+](C)C1(C)CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169035252 969352375 /nfs/dbraw/zinc/35/23/75/969352375.db2.gz JRKQBUAZLQHWNW-WDEREUQCSA-N 1 0 241.335 1.068 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@H](F)C2)C1 ZINC001169036658 969357907 /nfs/dbraw/zinc/35/79/07/969357907.db2.gz PKHSMTMEKVCVOP-GARJFASQSA-N 1 0 230.283 1.866 20 5 BDBDRO CCCOC1C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169021905 969360561 /nfs/dbraw/zinc/36/05/61/969360561.db2.gz BAGKUBYBKXRXDQ-MNOVXSKESA-N 1 0 242.319 1.543 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC3CC(C3)C2)C1 ZINC001169047538 969363783 /nfs/dbraw/zinc/36/37/83/969363783.db2.gz RIWUGIORABGPAW-XKGSQUFQSA-N 1 0 224.304 1.774 20 5 BDBDRO COCC[N@H+](C(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026768 969365654 /nfs/dbraw/zinc/36/56/54/969365654.db2.gz NWFFABLOELPQHC-NWDGAFQWSA-N 1 0 244.335 1.789 20 5 BDBDRO COC[C@@H]1CC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169057410 969372366 /nfs/dbraw/zinc/37/23/66/969372366.db2.gz VAVYTQUGYVWTQX-AXFHLTTASA-N 1 0 228.292 1.153 20 5 BDBDRO C[C@@H]([NH3+])c1ccn(-c2ncccc2[N+](=O)[O-])n1 ZINC001169230776 969505263 /nfs/dbraw/zinc/50/52/63/969505263.db2.gz CFSAOLOLUHPIMT-SSDOTTSWSA-N 1 0 233.231 1.195 20 5 BDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[NH2+][C@@H]3C2)n1 ZINC001157624041 970493699 /nfs/dbraw/zinc/49/36/99/970493699.db2.gz RTUVOVLAPYQZBP-VHSXEESVSA-N 1 0 248.286 1.015 20 5 BDBDRO Cc1c(C)c(N2C[C@@H]3C[NH2+][C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157624059 970497153 /nfs/dbraw/zinc/49/71/53/970497153.db2.gz SGEHOQHVTBCFCV-VHSXEESVSA-N 1 0 248.286 1.015 20 5 BDBDRO COc1ncccc1CO[C@H](C)C[N+](C)(C)C ZINC001223781235 973267256 /nfs/dbraw/zinc/26/72/56/973267256.db2.gz TVHKLLIJNMDSLC-LLVKDONJSA-N 1 0 239.339 1.702 20 5 BDBDRO C[C@@H]1COCC[C@H]1OCCC[N+](C)(C)C ZINC001224621061 973802014 /nfs/dbraw/zinc/80/20/14/973802014.db2.gz JRCXSRAENRTNGL-VXGBXAGGSA-N 1 0 216.345 1.524 20 5 BDBDRO C[N+](C)(C)CCCO[C@H]1CCOC[C@@H]1F ZINC001224621659 973802946 /nfs/dbraw/zinc/80/29/46/973802946.db2.gz YMPMNPXYPKEXLS-QWRGUYRKSA-N 1 0 220.308 1.226 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCC[C@H]1CCOC1 ZINC001224702860 973872379 /nfs/dbraw/zinc/87/23/79/973872379.db2.gz IBTBGTAEECUCIY-VXGBXAGGSA-N 1 0 216.345 1.524 20 5 BDBDRO CC(=O)OCCCCCO[C@@H](C)C[N+](C)(C)C ZINC001224757499 973918745 /nfs/dbraw/zinc/91/87/45/973918745.db2.gz PDOWJCSPEBOPNN-LBPRGKRZSA-N 1 0 246.371 1.831 20 5 BDBDRO C[C@H]1C[C@H](OCC[N+](C)(C)C)CCO1 ZINC001224776542 973944031 /nfs/dbraw/zinc/94/40/31/973944031.db2.gz XPJWQONMXURSPG-WDEREUQCSA-N 1 0 202.318 1.277 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCCCCC1OCCO1 ZINC001224814684 973992986 /nfs/dbraw/zinc/99/29/86/973992986.db2.gz SITXKLSPMNFUKC-GFCCVEGCSA-N 1 0 246.371 1.641 20 5 BDBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)nn1 ZINC001225644822 974617276 /nfs/dbraw/zinc/61/72/76/974617276.db2.gz OSFWVZWSHXLRPL-JTQLQIEISA-N 1 0 210.301 1.259 20 5 BDBDRO C[C@H](C[NH+](C)C)Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225666151 974634387 /nfs/dbraw/zinc/63/43/87/974634387.db2.gz GWHBDEKJAXSGFO-SSDOTTSWSA-N 1 0 241.247 1.024 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C)C2)c1 ZINC001225679224 974640924 /nfs/dbraw/zinc/64/09/24/974640924.db2.gz QMFVOCAQPIHMFN-SNVBAGLBSA-N 1 0 236.271 1.986 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccnc2[nH]ccc21 ZINC001226099738 974788718 /nfs/dbraw/zinc/78/87/18/974788718.db2.gz KSHXVBHRXGSVES-JTQLQIEISA-N 1 0 234.323 1.988 20 5 BDBDRO C[C@H](C[NH+](C)C)Oc1c(O)cccc1[N+](=O)[O-] ZINC001226333571 974862352 /nfs/dbraw/zinc/86/23/52/974862352.db2.gz MILVCKHPXSMFGB-MRVPVSSYSA-N 1 0 240.259 1.629 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2cc[nH]c21 ZINC001226407085 974887171 /nfs/dbraw/zinc/88/71/71/974887171.db2.gz ZIXDBQPOMBWSAR-SECBINFHSA-N 1 0 235.311 1.431 20 5 BDBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC=[NH2+] ZINC001173219020 975073129 /nfs/dbraw/zinc/07/31/29/975073129.db2.gz VFQRLUNXQHAVKN-QMMMGPOBSA-N 1 0 207.233 1.722 20 5 BDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(C)([NH3+])C1 ZINC001173230910 975076771 /nfs/dbraw/zinc/07/67/71/975076771.db2.gz WEZABXCBZAKLTO-SNVBAGLBSA-N 1 0 249.314 1.559 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c2c1CCCC2 ZINC001227102436 975276019 /nfs/dbraw/zinc/27/60/19/975276019.db2.gz HIYNXMUBZAAXSN-JTQLQIEISA-N 1 0 238.355 1.762 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccccc1=O ZINC001227422057 975393775 /nfs/dbraw/zinc/39/37/75/975393775.db2.gz UMGSJJOKEASACR-NSHDSACASA-N 1 0 222.308 1.520 20 5 BDBDRO CC(=O)c1ccncc1O[C@@H](C)C[N+](C)(C)C ZINC001228039375 975863578 /nfs/dbraw/zinc/86/35/78/975863578.db2.gz MIWVCVDFMBMKAL-JTQLQIEISA-N 1 0 237.323 1.758 20 5 BDBDRO Cc1ncc(Cl)c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001228288085 976059863 /nfs/dbraw/zinc/05/98/63/976059863.db2.gz DOVQEBBXCZQAQP-MRVPVSSYSA-N 1 0 244.746 1.912 20 5 BDBDRO CCc1occc(=O)c1O[C@H](C)C[N+](C)(C)C ZINC001228354637 976150334 /nfs/dbraw/zinc/15/03/34/976150334.db2.gz PDUQIEFOXFMRGZ-SNVBAGLBSA-N 1 0 240.323 1.676 20 5 BDBDRO CCC1(CC)[C@H]([NH2+]CC[N+](=O)[O-])[C@H](C)[C@H]1OC ZINC001334885260 976763937 /nfs/dbraw/zinc/76/39/37/976763937.db2.gz ZCXPZTPLNBSEHW-HBNTYKKESA-N 1 0 244.335 1.692 20 5 BDBDRO Cc1ccnc2[nH]c(O[C@@H](C)C[N+](C)(C)C)nc21 ZINC001231063639 977455289 /nfs/dbraw/zinc/45/52/89/977455289.db2.gz LRGDCYMXHXOOFB-JTQLQIEISA-N 1 0 249.338 1.740 20 5 BDBDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001336046842 977457913 /nfs/dbraw/zinc/45/79/13/977457913.db2.gz AHEZXTVROCJWPB-DTWKUNHWSA-N 1 0 200.282 1.677 20 5 BDBDRO COc1ccc(-n2c[nH+]c(C)c2N)cc1[N+](=O)[O-] ZINC001176363897 978049689 /nfs/dbraw/zinc/04/96/89/978049689.db2.gz SWHDSOSDYNVZJY-UHFFFAOYSA-N 1 0 248.242 1.680 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1c(N)ncnc1Cl ZINC001233631734 978652818 /nfs/dbraw/zinc/65/28/18/978652818.db2.gz TUZUWPGDLGSJSV-SSDOTTSWSA-N 1 0 245.734 1.186 20 5 BDBDRO COc1c(F)nccc1O[C@H](C)C[N+](C)(C)C ZINC001234259015 978804773 /nfs/dbraw/zinc/80/47/73/978804773.db2.gz UCSBRQOMKLKOSV-SECBINFHSA-N 1 0 243.302 1.703 20 5 BDBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001341361858 979356786 /nfs/dbraw/zinc/35/67/86/979356786.db2.gz XGVBRULORGQXOZ-VHSXEESVSA-N 1 0 230.308 1.446 20 5 BDBDRO Cc1cc(NC(=O)[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC001342242703 979728483 /nfs/dbraw/zinc/72/84/83/979728483.db2.gz AVDAXAVOLHEQSD-SSDOTTSWSA-N 1 0 223.232 1.189 20 5 BDBDRO Cc1cc(NC(=O)C[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC001342902781 979934920 /nfs/dbraw/zinc/93/49/20/979934920.db2.gz YXVLGGXSHPOYLQ-UHFFFAOYSA-N 1 0 249.270 1.594 20 5 BDBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC001343625485 980169172 /nfs/dbraw/zinc/16/91/72/980169172.db2.gz UZZZCUSKIFZUHS-AOOOYVTPSA-N 1 0 249.270 1.123 20 5 BDBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC001345019431 980523326 /nfs/dbraw/zinc/52/33/26/980523326.db2.gz RIOROXOXWUECJC-ZJUUUORDSA-N 1 0 244.291 1.068 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC001351275720 982258996 /nfs/dbraw/zinc/25/89/96/982258996.db2.gz YYXUQPWHZDMAPU-LLVKDONJSA-N 1 0 228.292 1.012 20 5 BDBDRO CN(CC[N+](=O)[O-])Cc1cc(F)cc(F)c1 ZINC001351397968 982306647 /nfs/dbraw/zinc/30/66/47/982306647.db2.gz ASIHMPHNHKSFRB-UHFFFAOYSA-N 1 0 230.214 1.673 20 5 BDBDRO Cc1cc(NC(=O)CC2([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC001356536537 983623450 /nfs/dbraw/zinc/62/34/50/983623450.db2.gz FQQKUSXBUXRTBG-UHFFFAOYSA-N 1 0 249.270 1.723 20 5 BDBDRO Cc1cc(N2CC[NH2+][C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC001579623988 984297417 /nfs/dbraw/zinc/29/74/17/984297417.db2.gz PFAPHSWHSHJLEC-PWSUYJOCSA-N 1 0 233.271 1.454 20 5 BDBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000688049050 985531224 /nfs/dbraw/zinc/53/12/24/985531224.db2.gz PFLOLAOFWISSIG-ONGXEEELSA-N 1 0 236.271 1.719 20 5 BDBDRO Cc1cc(N[C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])s1 ZINC001579637901 986148854 /nfs/dbraw/zinc/14/88/54/986148854.db2.gz HNLLIANHONPYFA-LJGSYFOKSA-N 1 0 227.289 1.866 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001515628126 989085162 /nfs/dbraw/zinc/08/51/62/989085162.db2.gz ZRSAJDBXBZMOGM-KYZUINATSA-N 1 0 249.270 1.123 20 5 BDBDRO CCOC(=O)C[C@@](C)([NH2+]CC[N+](=O)[O-])C(C)C ZINC001262263198 992827108 /nfs/dbraw/zinc/82/71/08/992827108.db2.gz IPXSZHGWSUFWRN-LLVKDONJSA-N 1 0 246.307 1.221 20 5 BDBDRO CC[C@H]([NH3+])C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001263329718 993232359 /nfs/dbraw/zinc/23/23/59/993232359.db2.gz NYVKWEHIWOTXRS-JTQLQIEISA-N 1 0 237.259 1.579 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]([NH3+])C1CC1 ZINC000129311406 178274055 /nfs/dbraw/zinc/27/40/55/178274055.db2.gz MBYSXCREQCCCKF-SNVBAGLBSA-N 1 0 236.275 1.447 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[NH2+]C1 ZINC000133797444 178274276 /nfs/dbraw/zinc/27/42/76/178274276.db2.gz MWQMZZRJURRFHT-VIFPVBQESA-N 1 0 236.275 1.320 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1OC[C@@H]1CC[NH2+]C1 ZINC000051889132 178273303 /nfs/dbraw/zinc/27/33/03/178273303.db2.gz LVZSISXXJLBHPQ-SNVBAGLBSA-N 1 0 236.271 1.892 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1OCC1C[NH2+]C1 ZINC000304398768 342834702 /nfs/dbraw/zinc/83/47/02/342834702.db2.gz AKLOIYJAQUBZLY-UHFFFAOYSA-N 1 0 222.244 1.501 20 5 BDBDRO CC[C@H]([NH3+])c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000229926581 342855664 /nfs/dbraw/zinc/85/56/64/342855664.db2.gz FLLLOSOMGXDDFU-JTQLQIEISA-N 1 0 247.258 1.585 20 5 BDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)C[NH2+]1 ZINC000033555468 398310483 /nfs/dbraw/zinc/31/04/83/398310483.db2.gz RQVGDKNVMVATFC-BDAKNGLRSA-N 1 0 236.275 1.176 20 5 BDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CC1(C)C ZINC000489414752 398311955 /nfs/dbraw/zinc/31/19/55/398311955.db2.gz OUSSXEKDKCUURH-VIFPVBQESA-N 1 0 238.291 1.522 20 5 BDBDRO C[NH2+][C@H](C)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000310872559 343589318 /nfs/dbraw/zinc/58/93/18/343589318.db2.gz SWRSPOBQYGNFSU-MRVPVSSYSA-N 1 0 247.258 1.456 20 5 BDBDRO O=[N+]([O-])c1cnccc1N1CC(n2ccnc2)C1 ZINC000588823661 344193623 /nfs/dbraw/zinc/19/36/23/344193623.db2.gz WSYBPULERMXESQ-UHFFFAOYSA-N 1 0 245.242 1.248 20 5 BDBDRO CN(CC[NH+](C)C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601124515 344377459 /nfs/dbraw/zinc/37/74/59/344377459.db2.gz QCZJWYQMNSIMAW-UHFFFAOYSA-N 1 0 242.254 1.127 20 5 BDBDRO Cc1cc(N2C[C@H](C)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000300049627 344380665 /nfs/dbraw/zinc/38/06/65/344380665.db2.gz TVZOBMNYPZBMIO-GXSJLCMTSA-N 1 0 235.287 1.687 20 5 BDBDRO Cc1c(CN(C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000123330627 344485085 /nfs/dbraw/zinc/48/50/85/344485085.db2.gz CVBZECXKHTUHOP-UHFFFAOYSA-N 1 0 237.303 1.684 20 5 BDBDRO Cc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000235665135 344974044 /nfs/dbraw/zinc/97/40/44/344974044.db2.gz TVZOBMNYPZBMIO-ONGXEEELSA-N 1 0 235.287 1.687 20 5 BDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CCCC[NH2+]1 ZINC000044493177 345095882 /nfs/dbraw/zinc/09/58/82/345095882.db2.gz KBRATAUEJOELCS-SECBINFHSA-N 1 0 236.275 1.544 20 5 BDBDRO C[NH2+]C[C@@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000158937390 346278185 /nfs/dbraw/zinc/27/81/85/346278185.db2.gz XNWKUWKSWZWLAR-NSHDSACASA-N 1 0 249.314 1.949 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H](CO)C2)cs1 ZINC000601139541 346341286 /nfs/dbraw/zinc/34/12/86/346341286.db2.gz FDJMFGJJOKXVKJ-OTSSQURYSA-N 1 0 242.300 1.517 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccon2)cc1 ZINC000148883999 346475007 /nfs/dbraw/zinc/47/50/07/346475007.db2.gz GVZNUBJHRPIXCK-UHFFFAOYSA-N 1 0 247.254 1.915 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591439372 347661643 /nfs/dbraw/zinc/66/16/43/347661643.db2.gz UDFPTTMFDLVHIM-UWVGGRQHSA-N 1 0 248.286 1.178 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CCC1CC[NH2+]CC1 ZINC000592158484 347746027 /nfs/dbraw/zinc/74/60/27/347746027.db2.gz GDGRSGSNQNINPZ-UHFFFAOYSA-N 1 0 238.291 1.489 20 5 BDBDRO Cc1nn(CCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000563078865 348201089 /nfs/dbraw/zinc/20/10/89/348201089.db2.gz CPUYQFNMLAFLDR-UHFFFAOYSA-N 1 0 238.291 1.489 20 5 BDBDRO CC12CC(C1)C[N@@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000595915004 348399676 /nfs/dbraw/zinc/39/96/76/348399676.db2.gz HJCZENREYUJGLE-UHFFFAOYSA-N 1 0 236.275 1.276 20 5 BDBDRO CC[C@H]([NH2+]C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595923999 348401886 /nfs/dbraw/zinc/40/18/86/348401886.db2.gz DONDEHOOCICNKN-JTQLQIEISA-N 1 0 237.259 1.531 20 5 BDBDRO C[C@H](CCNc1ncc([N+](=O)[O-])s1)[NH+](C)C ZINC000596429447 348538686 /nfs/dbraw/zinc/53/86/86/348538686.db2.gz HTTJCPUNPQDVEY-SSDOTTSWSA-N 1 0 244.320 1.225 20 5 BDBDRO C[NH2+]C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596655369 348599312 /nfs/dbraw/zinc/59/93/12/348599312.db2.gz VZNOFPIXYFBCFV-UWVGGRQHSA-N 1 0 237.303 1.853 20 5 BDBDRO O=[N+]([O-])c1cn(CC[C@H]2CCC[NH2+]C2)cn1 ZINC000563081795 348619075 /nfs/dbraw/zinc/61/90/75/348619075.db2.gz RPLMMHCTUGSGMI-SECBINFHSA-N 1 0 224.264 1.181 20 5 BDBDRO CN1CC(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000597203467 348676795 /nfs/dbraw/zinc/67/67/95/348676795.db2.gz RDUZCHNOGPFJOD-UHFFFAOYSA-N 1 0 249.314 1.588 20 5 BDBDRO [NH3+][C@@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000420164192 192166917 /nfs/dbraw/zinc/16/69/17/192166917.db2.gz FPRRGCBUNMNBDB-MRVPVSSYSA-N 1 0 248.286 1.100 20 5 BDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]([NH3+])C2)n1 ZINC000420166857 192167562 /nfs/dbraw/zinc/16/75/62/192167562.db2.gz ILGRDLHYMPZRHS-VIFPVBQESA-N 1 0 236.275 1.144 20 5 BDBDRO Cc1nc(N2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000132011029 180002717 /nfs/dbraw/zinc/00/27/17/180002717.db2.gz VNXMRUJZYWQYPI-SECBINFHSA-N 1 0 236.275 1.226 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](C)C1 ZINC000251856564 362952770 /nfs/dbraw/zinc/95/27/70/362952770.db2.gz SANIZMPPHDJHML-GHMZBOCLSA-N 1 0 249.314 1.950 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH3+])C1 ZINC000050227748 350315427 /nfs/dbraw/zinc/31/54/27/350315427.db2.gz OOVQKXQTPRALES-KOLCDFICSA-N 1 0 235.287 1.689 20 5 BDBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000292093434 350840612 /nfs/dbraw/zinc/84/06/12/350840612.db2.gz FRVYYDSPZKTHPG-SNVBAGLBSA-N 1 0 238.287 1.798 20 5 BDBDRO CN(Cc1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000159728293 350986212 /nfs/dbraw/zinc/98/62/12/350986212.db2.gz CTHJAKDUWXWLRA-ZDUSSCGKSA-N 1 0 249.314 1.764 20 5 BDBDRO Cc1c(CN(C)[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000383015714 351162385 /nfs/dbraw/zinc/16/23/85/351162385.db2.gz ICDPKAKEEBOVNL-SECBINFHSA-N 1 0 237.303 1.682 20 5 BDBDRO C[C@@H](CO)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000086622735 352428242 /nfs/dbraw/zinc/42/82/42/352428242.db2.gz UGQXHMAUIUYENZ-NXEZZACHSA-N 1 0 238.287 1.874 20 5 BDBDRO CCN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])s1 ZINC000300827208 352575978 /nfs/dbraw/zinc/57/59/78/352575978.db2.gz NXKCZZISFCEIBZ-UHFFFAOYSA-N 1 0 243.288 1.077 20 5 BDBDRO [NH2+]=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000052043340 181199391 /nfs/dbraw/zinc/19/93/91/181199391.db2.gz QESOPEKANHIPFW-UHFFFAOYSA-N 1 0 248.286 1.414 20 5 BDBDRO C[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000034416287 355890950 /nfs/dbraw/zinc/89/09/50/355890950.db2.gz CVESQFKIYSLKGH-UHFFFAOYSA-N 1 0 224.260 1.409 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH2+]CC1 ZINC000420265072 192192829 /nfs/dbraw/zinc/19/28/29/192192829.db2.gz BAHNRHVFNZEAEG-NSHDSACASA-N 1 0 249.314 1.869 20 5 BDBDRO Cc1ccc([C@@H](C)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420409755 192239185 /nfs/dbraw/zinc/23/91/85/192239185.db2.gz QTFTUBUJRDOPOO-NXEZZACHSA-N 1 0 237.303 1.901 20 5 BDBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000385251209 357033239 /nfs/dbraw/zinc/03/32/39/357033239.db2.gz SIFNXPFAMDYNOA-YPMHNXCESA-N 1 0 247.298 1.389 20 5 BDBDRO COC1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000230689365 357549796 /nfs/dbraw/zinc/54/97/96/357549796.db2.gz PNTDLQUQOSWTST-UHFFFAOYSA-N 1 0 236.271 1.862 20 5 BDBDRO Cc1nn(C[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000450957871 202321523 /nfs/dbraw/zinc/32/15/23/202321523.db2.gz JYZCPLPNAUVUFL-SECBINFHSA-N 1 0 224.264 1.051 20 5 BDBDRO Cc1cnc(N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000036243869 360766199 /nfs/dbraw/zinc/76/61/99/360766199.db2.gz JPYZLYMKDHUFOF-UHFFFAOYSA-N 1 0 236.275 1.098 20 5 BDBDRO C[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766519 364599689 /nfs/dbraw/zinc/59/96/89/364599689.db2.gz XWEQJADSMKZYHX-YUMQZZPRSA-N 1 0 237.259 1.119 20 5 BDBDRO [NH3+]CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000237896888 181371271 /nfs/dbraw/zinc/37/12/71/181371271.db2.gz VYRCOCUHYJBNQI-UHFFFAOYSA-N 1 0 249.270 1.223 20 5 BDBDRO [NH3+]CCCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000037714518 181377889 /nfs/dbraw/zinc/37/78/89/181377889.db2.gz NBSFMYLBJKEGPY-UHFFFAOYSA-N 1 0 237.259 1.064 20 5 BDBDRO CC1(C)[C@H](NCc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000404763885 369435620 /nfs/dbraw/zinc/43/56/20/369435620.db2.gz FBXKPQCWKJNTPD-NWDGAFQWSA-N 1 0 249.314 1.810 20 5 BDBDRO C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000600714928 371698096 /nfs/dbraw/zinc/69/80/96/371698096.db2.gz VOUTXSGIDMCPPJ-GBIKHYSHSA-N 1 0 249.314 1.996 20 5 BDBDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000601330404 371749642 /nfs/dbraw/zinc/74/96/42/371749642.db2.gz SUCJDYBOECYSHY-KOLCDFICSA-N 1 0 235.287 1.516 20 5 BDBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CC[NH2+]C1 ZINC000304382899 371785269 /nfs/dbraw/zinc/78/52/69/371785269.db2.gz RASLYBIBKFDIAI-LURJTMIESA-N 1 0 242.666 1.417 20 5 BDBDRO CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965729 371859601 /nfs/dbraw/zinc/85/96/01/371859601.db2.gz MSFARAVMJBBIGF-NSHDSACASA-N 1 0 224.260 1.412 20 5 BDBDRO CN1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000040672424 373588716 /nfs/dbraw/zinc/58/87/16/373588716.db2.gz WLMVQZWGKLIMLR-GFCCVEGCSA-N 1 0 249.314 1.779 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(CO)CC2)cc1 ZINC000143019069 374124877 /nfs/dbraw/zinc/12/48/77/374124877.db2.gz DZWKADPIKCJZNT-UHFFFAOYSA-N 1 0 236.271 1.252 20 5 BDBDRO CC(C)CC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174830298 374268246 /nfs/dbraw/zinc/26/82/46/374268246.db2.gz XVFSMGMCODTXPB-UHFFFAOYSA-N 1 0 240.307 1.769 20 5 BDBDRO CCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522110 169079279 /nfs/dbraw/zinc/07/92/79/169079279.db2.gz YCFIZIHIUJLCEV-UHFFFAOYSA-N 1 0 239.275 1.098 20 5 BDBDRO CN(CC[NH+](C)C)c1cccc(F)c1[N+](=O)[O-] ZINC000111144357 383834333 /nfs/dbraw/zinc/83/43/33/383834333.db2.gz HYKAZSNNDGKPQQ-UHFFFAOYSA-N 1 0 241.266 1.732 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN[C@H]1CCC[NH2+]C1 ZINC000050015648 383889493 /nfs/dbraw/zinc/88/94/93/383889493.db2.gz ZOKAGNKOYPXMAW-NSHDSACASA-N 1 0 235.287 1.436 20 5 BDBDRO C[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1 ZINC000235138422 384204211 /nfs/dbraw/zinc/20/42/11/384204211.db2.gz ZZOPYXUSAKLKBI-QMMMGPOBSA-N 1 0 209.249 1.032 20 5 BDBDRO Cc1ccnc(N[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000070062878 384219357 /nfs/dbraw/zinc/21/93/57/384219357.db2.gz DJQMNFKFMJGZFG-QMMMGPOBSA-N 1 0 222.248 1.072 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCOC2)cc1 ZINC000070069977 384228607 /nfs/dbraw/zinc/22/86/07/384228607.db2.gz QDSBDSGWOCMIKK-NSHDSACASA-N 1 0 236.271 1.863 20 5 BDBDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000135310305 384687587 /nfs/dbraw/zinc/68/75/87/384687587.db2.gz NZFCKOXCSVUYPW-CABZTGNLSA-N 1 0 236.271 1.862 20 5 BDBDRO C[NH2+][C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226779664 385053207 /nfs/dbraw/zinc/05/32/07/385053207.db2.gz RLSSSFDPUKXGPX-ZETCQYMHSA-N 1 0 242.304 1.240 20 5 BDBDRO Cc1cnc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000085426788 385176927 /nfs/dbraw/zinc/17/69/27/385176927.db2.gz QTFOHEHOJHVKSP-UHFFFAOYSA-N 1 0 224.264 1.272 20 5 BDBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cn1 ZINC000130595106 385265165 /nfs/dbraw/zinc/26/51/65/385265165.db2.gz YIJVEACGOFDCPX-QMMMGPOBSA-N 1 0 224.264 1.352 20 5 BDBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[NH2+]C1 ZINC000149412487 385554529 /nfs/dbraw/zinc/55/45/29/385554529.db2.gz NKTQVRWRWDMEBP-ZETCQYMHSA-N 1 0 242.666 1.417 20 5 BDBDRO CN(Cc1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000159670649 385708912 /nfs/dbraw/zinc/70/89/12/385708912.db2.gz UVHOFJSAOHXTNB-CYBMUJFWSA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@H](CO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000086624242 386081172 /nfs/dbraw/zinc/08/11/72/386081172.db2.gz IQVDQVZOUDOEIE-UWVGGRQHSA-N 1 0 238.287 1.874 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CC[NH2+]C2)c1 ZINC000094663312 386466311 /nfs/dbraw/zinc/46/63/11/386466311.db2.gz MPQRRRRVHUHIHU-SNVBAGLBSA-N 1 0 235.287 1.701 20 5 BDBDRO C[C@@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000151260234 386493361 /nfs/dbraw/zinc/49/33/61/386493361.db2.gz ZKCZVIBHVHJVTL-KOLCDFICSA-N 1 0 238.291 1.570 20 5 BDBDRO CC[N@H+](CCO)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000268025947 386772171 /nfs/dbraw/zinc/77/21/71/386772171.db2.gz SUNIMOKOBPQDDQ-SNVBAGLBSA-N 1 0 238.287 1.970 20 5 BDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000346684942 387376029 /nfs/dbraw/zinc/37/60/29/387376029.db2.gz SHDVWYXTYDFREZ-WDEREUQCSA-N 1 0 249.314 1.777 20 5 BDBDRO CC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1C ZINC000054127834 387347283 /nfs/dbraw/zinc/34/72/83/387347283.db2.gz KEASBLFBWBKARK-UHFFFAOYSA-N 1 0 238.291 1.662 20 5 BDBDRO CC1(C)[NH2+]CC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000415043968 387679070 /nfs/dbraw/zinc/67/90/70/387679070.db2.gz RTLRSMMOCXSMGQ-GFCCVEGCSA-N 1 0 249.314 1.825 20 5 BDBDRO O=[N+]([O-])c1ccc(CN[C@H]2CCCC[NH2+]C2)cc1 ZINC000415064210 387693136 /nfs/dbraw/zinc/69/31/36/387693136.db2.gz CASLGHZISGPNRZ-LBPRGKRZSA-N 1 0 249.314 1.827 20 5 BDBDRO Cc1ccc(CN(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000415109718 387707593 /nfs/dbraw/zinc/70/75/93/387707593.db2.gz OCVPPDJBAQRLIX-UHFFFAOYSA-N 1 0 223.276 1.294 20 5 BDBDRO CC(C)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539728 388353295 /nfs/dbraw/zinc/35/32/95/388353295.db2.gz WHEQKFUYSRSESJ-VIFPVBQESA-N 1 0 226.280 1.425 20 5 BDBDRO C[C@@H](O)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000227961826 388375672 /nfs/dbraw/zinc/37/56/72/388375672.db2.gz LVEPTFSSBFMTAI-SNVBAGLBSA-N 1 0 238.287 1.845 20 5 BDBDRO O=[N+]([O-])c1cnc(N2CCc3c[nH+]ccc32)nc1 ZINC000354575081 388380887 /nfs/dbraw/zinc/38/08/87/388380887.db2.gz UHQWCPYRUIARQJ-UHFFFAOYSA-N 1 0 243.226 1.474 20 5 BDBDRO CC[NH+](CC)CCn1nccc1[N+](=O)[O-] ZINC000131192296 388452746 /nfs/dbraw/zinc/45/27/46/388452746.db2.gz OYMZSLCSPJZPSN-UHFFFAOYSA-N 1 0 212.253 1.133 20 5 BDBDRO CC[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000422119041 388683834 /nfs/dbraw/zinc/68/38/34/388683834.db2.gz JCZOBLKJNQBBDR-GFCCVEGCSA-N 1 0 238.287 1.764 20 5 BDBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161538308 388659242 /nfs/dbraw/zinc/65/92/42/388659242.db2.gz SWFFWHDANPBKNR-UHFFFAOYSA-N 1 0 238.291 1.662 20 5 BDBDRO CC[C@@H](NCC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000423226919 388690328 /nfs/dbraw/zinc/69/03/28/388690328.db2.gz SUBZIUWZXLIGJI-GFCCVEGCSA-N 1 0 237.303 1.855 20 5 BDBDRO CC[C@@H](NCC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423301625 388691466 /nfs/dbraw/zinc/69/14/66/388691466.db2.gz ICWRHDIPQIXJCX-CYBMUJFWSA-N 1 0 249.314 1.855 20 5 BDBDRO CC[C@H](NCC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423301626 388691908 /nfs/dbraw/zinc/69/19/08/388691908.db2.gz ICWRHDIPQIXJCX-ZDUSSCGKSA-N 1 0 249.314 1.855 20 5 BDBDRO CC[C@@H]([NH3+])CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423481456 388692825 /nfs/dbraw/zinc/69/28/25/388692825.db2.gz WSTLMWSCMKKGTP-GXSJLCMTSA-N 1 0 237.303 1.983 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CC[C@H]1O ZINC000424194586 388694868 /nfs/dbraw/zinc/69/48/68/388694868.db2.gz BNFSPNNBHVMEIH-KJGKVODESA-N 1 0 248.282 1.721 20 5 BDBDRO CC(C)[C@H](C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331039909 388764269 /nfs/dbraw/zinc/76/42/69/388764269.db2.gz BUXQVACDHAEYOW-VIFPVBQESA-N 1 0 240.307 1.805 20 5 BDBDRO Cc1ccc([C@H](C)[NH2+]CCO)cc1[N+](=O)[O-] ZINC000020596872 388778702 /nfs/dbraw/zinc/77/87/02/388778702.db2.gz WFVDPJUNDCOECE-VIFPVBQESA-N 1 0 224.260 1.546 20 5 BDBDRO CC(C)([NH3+])CNc1ccc([N+](=O)[O-])nc1 ZINC000096687029 388824032 /nfs/dbraw/zinc/82/40/32/388824032.db2.gz CLDPVQGLRHNSEQ-UHFFFAOYSA-N 1 0 210.237 1.139 20 5 BDBDRO [NH3+]CCCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000310907150 388838212 /nfs/dbraw/zinc/83/82/12/388838212.db2.gz OCKFYZABXDUGQG-UHFFFAOYSA-N 1 0 246.270 1.807 20 5 BDBDRO [NH3+]C[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000044531806 132224913 /nfs/dbraw/zinc/22/49/13/132224913.db2.gz ICFJIQUAUGQRDG-JTQLQIEISA-N 1 0 235.287 1.770 20 5 BDBDRO [NH3+]C[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000044531804 132224917 /nfs/dbraw/zinc/22/49/17/132224917.db2.gz ICFJIQUAUGQRDG-SNVBAGLBSA-N 1 0 235.287 1.770 20 5 BDBDRO Cc1cc(N2CCC[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000092027566 132238130 /nfs/dbraw/zinc/23/81/30/132238130.db2.gz HVSVDZXRHGZTAF-SECBINFHSA-N 1 0 236.275 1.226 20 5 BDBDRO [NH3+]C[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000044532046 132354296 /nfs/dbraw/zinc/35/42/96/132354296.db2.gz AVZWTFPKYYXVSX-VIFPVBQESA-N 1 0 236.275 1.165 20 5 BDBDRO Cc1ccc(CN2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000347125247 133805130 /nfs/dbraw/zinc/80/51/30/133805130.db2.gz XTLHNYNAIODHJN-LBPRGKRZSA-N 1 0 249.314 1.826 20 5 BDBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000168672531 134240972 /nfs/dbraw/zinc/24/09/72/134240972.db2.gz ROGMHRVLXSNZPA-JQWIXIFHSA-N 1 0 249.314 1.764 20 5 BDBDRO CC[C@@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176226700 134289630 /nfs/dbraw/zinc/28/96/30/134289630.db2.gz WVGPVFDVJDJSHM-SECBINFHSA-N 1 0 226.280 1.522 20 5 BDBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000261543230 135183993 /nfs/dbraw/zinc/18/39/93/135183993.db2.gz RWGWOWIYLSANAG-JOYOIKCWSA-N 1 0 235.287 1.374 20 5 BDBDRO C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000261553019 135191742 /nfs/dbraw/zinc/19/17/42/135191742.db2.gz NPVHWOZIRLKRBA-AEJSXWLSSA-N 1 0 237.303 1.981 20 5 BDBDRO C[C@]1(C[NH3+])CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000261559758 135200111 /nfs/dbraw/zinc/20/01/11/135200111.db2.gz UATSSCGAHIIBPS-LLVKDONJSA-N 1 0 236.275 1.165 20 5 BDBDRO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000261561118 135202003 /nfs/dbraw/zinc/20/20/03/135202003.db2.gz VDRAJOVVKLNBPZ-MRVPVSSYSA-N 1 0 239.250 1.532 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000261578813 135219746 /nfs/dbraw/zinc/21/97/46/135219746.db2.gz PDJDPABVFXFYAP-MWLCHTKSSA-N 1 0 248.286 1.178 20 5 BDBDRO C[C@@H]([NH3+])[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000261578904 135220147 /nfs/dbraw/zinc/22/01/47/135220147.db2.gz LZOIZHQTPIZHAU-RKDXNWHRSA-N 1 0 223.276 1.420 20 5 BDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261582436 135223355 /nfs/dbraw/zinc/22/33/55/135223355.db2.gz RFABCGZOVCRCGW-LDYMZIIASA-N 1 0 249.270 1.157 20 5 BDBDRO C[C@H](N[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000262038370 135275126 /nfs/dbraw/zinc/27/51/26/135275126.db2.gz HMSGLILNJTVUTI-UWVGGRQHSA-N 1 0 235.287 1.607 20 5 BDBDRO C[C@H](CCNc1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000596431841 398083439 /nfs/dbraw/zinc/08/34/39/398083439.db2.gz NSWDJARMTKHJTG-SECBINFHSA-N 1 0 238.291 1.742 20 5 BDBDRO CO[C@@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000167055619 410568599 /nfs/dbraw/zinc/56/85/99/410568599.db2.gz SBKDLGWQKMNGSS-VIFPVBQESA-N 1 0 224.260 1.719 20 5 BDBDRO CO[C@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000167055733 410569591 /nfs/dbraw/zinc/56/95/91/410569591.db2.gz SBKDLGWQKMNGSS-SECBINFHSA-N 1 0 224.260 1.719 20 5 BDBDRO CCOc1cccc(NCC[NH3+])c1[N+](=O)[O-] ZINC000128354755 170582132 /nfs/dbraw/zinc/58/21/32/170582132.db2.gz CWZKVICPBJHQED-UHFFFAOYSA-N 1 0 225.248 1.364 20 5 BDBDRO CC[C@@](C)(CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000070710444 171170954 /nfs/dbraw/zinc/17/09/54/171170954.db2.gz NKWOAZRJUZJDKN-JTQLQIEISA-N 1 0 244.316 1.907 20 5 BDBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330802740 171389758 /nfs/dbraw/zinc/38/97/58/171389758.db2.gz BADYGGMKWRONSH-IUCAKERBSA-N 1 0 240.307 1.853 20 5 BDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000295241744 172340776 /nfs/dbraw/zinc/34/07/76/172340776.db2.gz PEBLJGKJCYCKPP-UHFFFAOYSA-N 1 0 249.270 1.157 20 5 BDBDRO C[NH+](C)C(C)(C)CNc1ccncc1[N+](=O)[O-] ZINC000043411939 172398730 /nfs/dbraw/zinc/39/87/30/172398730.db2.gz NFIICFDSBGNCGU-UHFFFAOYSA-N 1 0 238.291 1.742 20 5 BDBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000049099866 173034210 /nfs/dbraw/zinc/03/42/10/173034210.db2.gz BGYGZRRYUJVGMD-SECBINFHSA-N 1 0 236.275 1.496 20 5 BDBDRO C[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000193859118 173055167 /nfs/dbraw/zinc/05/51/67/173055167.db2.gz MHQHENXRPUEWCF-ZETCQYMHSA-N 1 0 242.304 1.557 20 5 BDBDRO CN1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000221152516 173057254 /nfs/dbraw/zinc/05/72/54/173057254.db2.gz HEOBRAONRLGWHJ-ZDUSSCGKSA-N 1 0 249.314 1.779 20 5 BDBDRO C[NH2+]CCN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000070304430 173352695 /nfs/dbraw/zinc/35/26/95/173352695.db2.gz JCNYDSTUSLGSKO-UHFFFAOYSA-N 1 0 241.266 1.385 20 5 BDBDRO COCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000273391094 174280498 /nfs/dbraw/zinc/28/04/98/174280498.db2.gz DMVVXFTUXRGQCV-UHFFFAOYSA-N 1 0 238.287 1.981 20 5 BDBDRO COc1cc(N(C)CC[NH3+])c([N+](=O)[O-])cc1F ZINC000110625474 174995860 /nfs/dbraw/zinc/99/58/60/174995860.db2.gz PRBGCIIQMZCYQL-UHFFFAOYSA-N 1 0 243.238 1.137 20 5 BDBDRO COc1cccc(NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000135058886 175277893 /nfs/dbraw/zinc/27/78/93/175277893.db2.gz SABCGMLDUJMPCW-UHFFFAOYSA-N 1 0 239.275 1.753 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](O)C1 ZINC000074313395 176018973 /nfs/dbraw/zinc/01/89/73/176018973.db2.gz AQTUTISUHBJBGU-CABZTGNLSA-N 1 0 236.271 1.722 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH3+])C1 ZINC000050245424 176026960 /nfs/dbraw/zinc/02/69/60/176026960.db2.gz VUSMBSUIMURYPA-WDEREUQCSA-N 1 0 249.314 1.936 20 5 BDBDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358014220 176274216 /nfs/dbraw/zinc/27/42/16/176274216.db2.gz KFIQJDUNZNBFRE-MFKMUULPSA-N 1 0 249.314 1.635 20 5 BDBDRO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000357994431 176276701 /nfs/dbraw/zinc/27/67/01/176276701.db2.gz MXAOSDZOTDJREW-ZYHUDNBSSA-N 1 0 249.314 1.635 20 5 BDBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351810990 176306690 /nfs/dbraw/zinc/30/66/90/176306690.db2.gz OLMPZJFMKMMXRX-SKDRFNHKSA-N 1 0 236.271 1.407 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH3+])C1 ZINC000224197829 177037609 /nfs/dbraw/zinc/03/76/09/177037609.db2.gz MTOMEUNNFLBDBZ-MNOVXSKESA-N 1 0 249.314 1.936 20 5 BDBDRO C[C@H]1[NH2+]CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000346695215 177397149 /nfs/dbraw/zinc/39/71/49/177397149.db2.gz YZJFRAAOTDIGQE-GHMZBOCLSA-N 1 0 249.314 1.777 20 5 BDBDRO CC[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000124731128 324624366 /nfs/dbraw/zinc/62/43/66/324624366.db2.gz YWXNELXLBSWYRK-NSHDSACASA-N 1 0 238.287 1.498 20 5 BDBDRO C[NH+](C)CCSCCn1ccc([N+](=O)[O-])n1 ZINC000157862299 326298268 /nfs/dbraw/zinc/29/82/68/326298268.db2.gz AYOUTSUSASBRJC-UHFFFAOYSA-N 1 0 244.320 1.086 20 5 BDBDRO CC[N@H+](C)CCNCc1csc([N+](=O)[O-])c1 ZINC000051634376 488022483 /nfs/dbraw/zinc/02/24/83/488022483.db2.gz OUBPTAMELKTQPY-UHFFFAOYSA-N 1 0 243.332 1.698 20 5 BDBDRO C[C@H](O)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051822058 488049151 /nfs/dbraw/zinc/04/91/51/488049151.db2.gz AQROBZNMFWEHDM-JTQLQIEISA-N 1 0 238.287 1.450 20 5 BDBDRO C[NH2+][C@@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000261536087 536345190 /nfs/dbraw/zinc/34/51/90/536345190.db2.gz QHYGHCFENJLKSQ-ZETCQYMHSA-N 1 0 210.237 1.010 20 5 BDBDRO C[NH2+][C@@H](C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000261586669 536344388 /nfs/dbraw/zinc/34/43/88/536344388.db2.gz RHQONSYPGOGGTL-ZETCQYMHSA-N 1 0 227.239 1.754 20 5 BDBDRO C[NH2+][C@H](C)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000261585729 536404353 /nfs/dbraw/zinc/40/43/53/536404353.db2.gz QOVHMEMIBHSAEI-SECBINFHSA-N 1 0 223.276 1.923 20 5 BDBDRO COc1cccc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000134794890 537125796 /nfs/dbraw/zinc/12/57/96/537125796.db2.gz FUVFYXYBEURJAQ-UHFFFAOYSA-N 1 0 237.259 1.013 20 5 BDBDRO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000853825358 588765003 /nfs/dbraw/zinc/76/50/03/588765003.db2.gz LBCWKNRPAFWODB-UHFFFAOYSA-N 1 0 235.287 1.593 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2COCO2)cc1 ZINC000894872081 583540427 /nfs/dbraw/zinc/54/04/27/583540427.db2.gz XODNGRQBQGXAKX-NSHDSACASA-N 1 0 238.243 1.057 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCc1ccccc1 ZINC000899860597 584242636 /nfs/dbraw/zinc/24/26/36/584242636.db2.gz SEXLMNMBIFVAHM-UHFFFAOYSA-N 1 0 208.261 1.486 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCOc1ccc(Cl)cc1 ZINC000899861267 584242789 /nfs/dbraw/zinc/24/27/89/584242789.db2.gz QFUKPGJPZSDCEG-UHFFFAOYSA-N 1 0 244.678 1.585 20 5 BDBDRO O=[N+]([O-])CCNCc1ccccc1Cl ZINC000899856868 584244018 /nfs/dbraw/zinc/24/40/18/584244018.db2.gz WWPROHXEOUDPHH-UHFFFAOYSA-N 1 0 214.652 1.706 20 5 BDBDRO C[C@@H](CNCC[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000899870319 584244425 /nfs/dbraw/zinc/24/44/25/584244425.db2.gz MHBYKBFRWHUNAY-MNOVXSKESA-N 1 0 229.324 1.116 20 5 BDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNCC[N+](=O)[O-])C1 ZINC000899870500 584244838 /nfs/dbraw/zinc/24/48/38/584244838.db2.gz HVZGCBXQTMUKGP-VXGBXAGGSA-N 1 0 243.351 1.221 20 5 BDBDRO Cc1cc(C)cc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000899891237 584245937 /nfs/dbraw/zinc/24/59/37/584245937.db2.gz IANZGIHQFRBNGJ-UHFFFAOYSA-N 1 0 208.261 1.670 20 5 BDBDRO Cc1cnc(CC[NH2+]CC[N+](=O)[O-])c(C)c1 ZINC000899890654 584245982 /nfs/dbraw/zinc/24/59/82/584245982.db2.gz GGTRRKMSCUWGCM-UHFFFAOYSA-N 1 0 223.276 1.107 20 5 BDBDRO C[C@H](CCO)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000779415292 585754043 /nfs/dbraw/zinc/75/40/43/585754043.db2.gz KAYMQQQNUNXVGL-SNVBAGLBSA-N 1 0 238.287 1.498 20 5 BDBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782605788 585821704 /nfs/dbraw/zinc/82/17/04/585821704.db2.gz QVIDQXURRKKOAB-WCQYABFASA-N 1 0 248.282 1.409 20 5 BDBDRO Cc1cccc(OCCN(C)CC[N+](=O)[O-])c1 ZINC000791053051 585972923 /nfs/dbraw/zinc/97/29/23/585972923.db2.gz GXVCCTRBXKCJSP-UHFFFAOYSA-N 1 0 238.287 1.582 20 5 BDBDRO C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc2c[nH+]cn2c1 ZINC000814048267 586613147 /nfs/dbraw/zinc/61/31/47/586613147.db2.gz IZAHDFBBNKDDBJ-QMMMGPOBSA-N 1 0 249.226 1.156 20 5 BDBDRO CCN(CCSC)Cn1cc([N+](=O)[O-])cn1 ZINC000842643531 588048292 /nfs/dbraw/zinc/04/82/92/588048292.db2.gz FITPCXKCTBKYNG-UHFFFAOYSA-N 1 0 244.320 1.434 20 5 BDBDRO C[C@H]([NH3+])CN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000863569179 589300096 /nfs/dbraw/zinc/30/00/96/589300096.db2.gz QWJXOEOXDLXXDF-QMMMGPOBSA-N 1 0 241.266 1.513 20 5 BDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000132178160 591691948 /nfs/dbraw/zinc/69/19/48/591691948.db2.gz VKYTVQCQEQQNQG-GFCCVEGCSA-N 1 0 249.314 1.684 20 5 BDBDRO C[C@@H]([NH3+])c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000124268922 592717386 /nfs/dbraw/zinc/71/73/86/592717386.db2.gz KBUDXHKFAFOACR-MRVPVSSYSA-N 1 0 247.258 1.254 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]2CO)cc1 ZINC000934024324 631599146 /nfs/dbraw/zinc/59/91/46/631599146.db2.gz PWQSDFKHUJZDCM-GFCCVEGCSA-N 1 0 236.271 1.204 20 5 BDBDRO C[C@@H](CC[NH+](C)C)Nc1c([N+](=O)[O-])cnn1C ZINC000892085115 631724171 /nfs/dbraw/zinc/72/41/71/631724171.db2.gz IBDBCJXQRBRRFY-QMMMGPOBSA-N 1 0 241.295 1.080 20 5 BDBDRO C[C@@H]([NH3+])CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000309189615 631925826 /nfs/dbraw/zinc/92/58/26/631925826.db2.gz IGYVVGLRJNJFPO-SECBINFHSA-N 1 0 223.276 1.374 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)C2CC2)cs1 ZINC000309484178 632418367 /nfs/dbraw/zinc/41/83/67/632418367.db2.gz FPGIHFMACGQRBC-SECBINFHSA-N 1 0 242.300 1.517 20 5 BDBDRO C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227859684 633156597 /nfs/dbraw/zinc/15/65/97/633156597.db2.gz ZZXWKMJXEJMCBD-GGZOMVNGSA-N 1 0 236.271 1.626 20 5 BDBDRO CC(C)[C@@H](CO)[C@H]([NH2+]CC[N+](=O)[O-])C(C)C ZINC000930638528 633965024 /nfs/dbraw/zinc/96/50/24/633965024.db2.gz IBALQJCQMLLODT-GHMZBOCLSA-N 1 0 232.324 1.142 20 5 BDBDRO O=[N+]([O-])c1ccc(CCN[C@@H]2CC[NH2+]C2)cc1 ZINC000094088134 635183285 /nfs/dbraw/zinc/18/32/85/635183285.db2.gz DHRRCBQOVDIEFF-LLVKDONJSA-N 1 0 235.287 1.089 20 5 BDBDRO O=[N+]([O-])c1cn(C[C@H]2CCCC[NH2+]C2)cn1 ZINC000899624607 637101817 /nfs/dbraw/zinc/10/18/17/637101817.db2.gz SOYUGKZUWYBCOT-VIFPVBQESA-N 1 0 224.264 1.181 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCc2c1cccc2F ZINC000899873041 637148207 /nfs/dbraw/zinc/14/82/07/637148207.db2.gz GWDCLIUMHCPPBE-LLVKDONJSA-N 1 0 224.235 1.679 20 5 BDBDRO C[C@@H](CCc1ccco1)[NH2+]CC[N+](=O)[O-] ZINC000905025735 637574638 /nfs/dbraw/zinc/57/46/38/637574638.db2.gz LSIGFVGEAHPGCE-VIFPVBQESA-N 1 0 212.249 1.467 20 5 BDBDRO Cc1[nH]c2ccccc2c1CC[NH2+]CC[N+](=O)[O-] ZINC000905085516 637586539 /nfs/dbraw/zinc/58/65/39/637586539.db2.gz WQXYDCJAVMUJOL-UHFFFAOYSA-N 1 0 247.298 1.885 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCOC1CCCCC1 ZINC000905057810 637593819 /nfs/dbraw/zinc/59/38/19/637593819.db2.gz ANQYXGVZXXCAKD-UHFFFAOYSA-N 1 0 216.281 1.202 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000905120518 637627039 /nfs/dbraw/zinc/62/70/39/637627039.db2.gz CMXHPAWFZXXFRI-GFCCVEGCSA-N 1 0 249.314 1.522 20 5 BDBDRO CS[C@@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905123101 637629960 /nfs/dbraw/zinc/62/99/60/637629960.db2.gz GQJLJKPQPIWPMX-DTWKUNHWSA-N 1 0 218.322 1.527 20 5 BDBDRO CC(C)[C@H](C[NH2+]CC[N+](=O)[O-])c1cccnc1 ZINC000905155721 637638986 /nfs/dbraw/zinc/63/89/86/637638986.db2.gz VAEVRJPDUVONRH-LBPRGKRZSA-N 1 0 237.303 1.688 20 5 BDBDRO COC(C)(C)C[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905135309 637645631 /nfs/dbraw/zinc/64/56/31/637645631.db2.gz JXIMDTLVTDEUAH-MRVPVSSYSA-N 1 0 204.270 1.056 20 5 BDBDRO C[C@H](CCc1cccn1C)[NH2+]CC[N+](=O)[O-] ZINC000905141084 637649306 /nfs/dbraw/zinc/64/93/06/637649306.db2.gz YKOFESHIKKGVNQ-SNVBAGLBSA-N 1 0 225.292 1.213 20 5 BDBDRO Cc1ccc([C@@H](C)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905139847 637649426 /nfs/dbraw/zinc/64/94/26/637649426.db2.gz YQSGEYFJNNPEEI-NSHDSACASA-N 1 0 222.288 1.965 20 5 BDBDRO COC[C@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905144081 637654056 /nfs/dbraw/zinc/65/40/56/637654056.db2.gz DHSHNOVLWGJELX-LBPRGKRZSA-N 1 0 238.287 1.110 20 5 BDBDRO CC(C)[NH+](CCCNCC[N+](=O)[O-])C(C)C ZINC000905146612 637655869 /nfs/dbraw/zinc/65/58/69/637655869.db2.gz OSONTGWPSSJORD-UHFFFAOYSA-N 1 0 231.340 1.362 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCC1Cc2ccccc2C1 ZINC000905187706 637669529 /nfs/dbraw/zinc/66/95/29/637669529.db2.gz MWFUCVWUZXWQHI-UHFFFAOYSA-N 1 0 234.299 1.658 20 5 BDBDRO Cc1nc(CC[NH2+]CC[N+](=O)[O-])sc1C ZINC000905164140 637676401 /nfs/dbraw/zinc/67/64/01/637676401.db2.gz FPBZAYKTOROMDZ-UHFFFAOYSA-N 1 0 229.305 1.169 20 5 BDBDRO COc1ccc(C[NH2+]CC[N+](=O)[O-])c(C)c1 ZINC000905168480 637679006 /nfs/dbraw/zinc/67/90/06/637679006.db2.gz ZQLHGXWYBBQPND-UHFFFAOYSA-N 1 0 224.260 1.370 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1(Cc2ccccc2)CC1 ZINC000905177792 637684989 /nfs/dbraw/zinc/68/49/89/637684989.db2.gz QSOJNMOXZBRCFE-UHFFFAOYSA-N 1 0 234.299 1.876 20 5 BDBDRO COCC[C@@H](Cc1ccco1)[NH2+]CC[N+](=O)[O-] ZINC000905204607 637695525 /nfs/dbraw/zinc/69/55/25/637695525.db2.gz QIOXAPNWZRXZOS-JTQLQIEISA-N 1 0 242.275 1.094 20 5 BDBDRO C[C@@H]1C[C@H](CC[NH2+]CC[N+](=O)[O-])CCO1 ZINC000905207763 637697030 /nfs/dbraw/zinc/69/70/30/637697030.db2.gz INVATLIQZPRNNH-NXEZZACHSA-N 1 0 216.281 1.058 20 5 BDBDRO CSCc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905258570 637714739 /nfs/dbraw/zinc/71/47/39/637714739.db2.gz YTEPSDBICDMKLF-UHFFFAOYSA-N 1 0 240.328 1.916 20 5 BDBDRO C[C@@H](CCCC(F)(F)F)[NH2+]CC[N+](=O)[O-] ZINC000905235490 637721189 /nfs/dbraw/zinc/72/11/89/637721189.db2.gz ZVAKUONGLLUTOW-ZETCQYMHSA-N 1 0 228.214 1.974 20 5 BDBDRO C[C@@]1(C[NH2+]CC[N+](=O)[O-])CC1(Cl)Cl ZINC000905271884 637730119 /nfs/dbraw/zinc/73/01/19/637730119.db2.gz DZNWQKLRLSZXCL-LURJTMIESA-N 1 0 227.091 1.437 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCCC1(F)F ZINC000905273424 637731370 /nfs/dbraw/zinc/73/13/70/637731370.db2.gz MWLKKMVTWQPCAT-MRVPVSSYSA-N 1 0 222.235 1.678 20 5 BDBDRO CC1(C)C[C@H](C[NH2+]CC[N+](=O)[O-])CCO1 ZINC000905281982 637736562 /nfs/dbraw/zinc/73/65/62/637736562.db2.gz WVJQUTSTVUHJGE-SECBINFHSA-N 1 0 216.281 1.058 20 5 BDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000905351050 637771113 /nfs/dbraw/zinc/77/11/13/637771113.db2.gz QQWWCCWLEZUQJN-LDYMZIIASA-N 1 0 242.250 1.114 20 5 BDBDRO CO[C@@H](C[NH2+]CC[N+](=O)[O-])C1CCCC1 ZINC000905382833 637784550 /nfs/dbraw/zinc/78/45/50/637784550.db2.gz RMKQICQQAKELTL-JTQLQIEISA-N 1 0 216.281 1.058 20 5 BDBDRO COc1ccc(F)cc1CC[NH2+]CC[N+](=O)[O-] ZINC000905478771 637818675 /nfs/dbraw/zinc/81/86/75/637818675.db2.gz MTHZQOUNFUIUOZ-UHFFFAOYSA-N 1 0 242.250 1.243 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000905509917 637831498 /nfs/dbraw/zinc/83/14/98/637831498.db2.gz PVOIVDJTHUPIMB-PBINXNQUSA-N 1 0 230.333 1.527 20 5 BDBDRO C[C@@H](O)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000905642263 637880643 /nfs/dbraw/zinc/88/06/43/637880643.db2.gz GRNRSFHXICJAFB-VHSXEESVSA-N 1 0 238.287 1.669 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCOc1cccc(F)c1 ZINC000905707348 637890656 /nfs/dbraw/zinc/89/06/56/637890656.db2.gz YZWIGKXGOBXARQ-UHFFFAOYSA-N 1 0 242.250 1.461 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCC2(CCCC2)C1 ZINC000930252435 639661103 /nfs/dbraw/zinc/66/11/03/639661103.db2.gz WEXBQXYNOZMTLJ-UHFFFAOYSA-N 1 0 212.293 1.919 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000930335033 639713088 /nfs/dbraw/zinc/71/30/88/639713088.db2.gz VDLVIKLNLABUEL-JTQLQIEISA-N 1 0 228.292 1.202 20 5 BDBDRO Cc1c(CN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000035648540 639794090 /nfs/dbraw/zinc/79/40/90/639794090.db2.gz ZAYKCSLXMUFIMA-UHFFFAOYSA-N 1 0 235.287 1.308 20 5 BDBDRO C[C@@]12CC[N@H+](CC[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000930539207 639806083 /nfs/dbraw/zinc/80/60/83/639806083.db2.gz HRVQFUDHFORVSK-JGVFFNPUSA-N 1 0 220.219 1.240 20 5 BDBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC[N+](=O)[O-] ZINC000931067137 640056327 /nfs/dbraw/zinc/05/63/27/640056327.db2.gz MAOXMXREUWEKSO-VHSXEESVSA-N 1 0 200.282 1.916 20 5 BDBDRO CC(C)CCO[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000931089352 640065470 /nfs/dbraw/zinc/06/54/70/640065470.db2.gz UVSMQYSHJXGBOM-LLVKDONJSA-N 1 0 230.308 1.400 20 5 BDBDRO CCC1([NH+](C)C)CCN(CC[N+](=O)[O-])CC1 ZINC000931471405 640228119 /nfs/dbraw/zinc/22/81/19/640228119.db2.gz MINDNSFHTIEEKO-UHFFFAOYSA-N 1 0 229.324 1.069 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000933913649 640789820 /nfs/dbraw/zinc/78/98/20/640789820.db2.gz UUXLVMPETKLDCG-JTQLQIEISA-N 1 0 230.333 1.481 20 5 BDBDRO CC1(C)C[N@H+](CC[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000934758938 641258776 /nfs/dbraw/zinc/25/87/76/641258776.db2.gz PGSYSXHQIQUVIH-VHSXEESVSA-N 1 0 212.293 1.774 20 5 BDBDRO [NH3+][C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000050243376 643656182 /nfs/dbraw/zinc/65/61/82/643656182.db2.gz HTKVPUQOFQHEPU-JTQLQIEISA-N 1 0 239.250 1.267 20 5 BDBDRO C[C@H](O)C[N@H+](CC[N+](=O)[O-])C1CCCCC1 ZINC000929528676 646173802 /nfs/dbraw/zinc/17/38/02/646173802.db2.gz FKFXCQPCTRZDRR-JTQLQIEISA-N 1 0 230.308 1.279 20 5 BDBDRO CCCC[N@H+](CCOC)CC[N+](=O)[O-] ZINC000929614107 646198045 /nfs/dbraw/zinc/19/80/45/646198045.db2.gz NOIXVIWLXBCMQX-UHFFFAOYSA-N 1 0 204.270 1.012 20 5 BDBDRO CC1(C)CN(CC[N+](=O)[O-])C(C)(C)CO1 ZINC000929654493 646222876 /nfs/dbraw/zinc/22/28/76/646222876.db2.gz VSESEAAYUAKGRX-UHFFFAOYSA-N 1 0 216.281 1.153 20 5 BDBDRO CC(C)[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929669229 646231269 /nfs/dbraw/zinc/23/12/69/646231269.db2.gz UCZVZEMBKXTMMM-SNVBAGLBSA-N 1 0 200.282 1.774 20 5 BDBDRO CC[N@@H+]1CC[C@H](N(C)CC[N+](=O)[O-])C[C@@H]1C ZINC000929782302 646309934 /nfs/dbraw/zinc/30/99/34/646309934.db2.gz UNOFHRHEJPMFDS-QWRGUYRKSA-N 1 0 229.324 1.068 20 5 BDBDRO COC(=O)CC1([NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000930028153 646401081 /nfs/dbraw/zinc/40/10/81/646401081.db2.gz JUXCGEQNEWLXTM-UHFFFAOYSA-N 1 0 244.291 1.119 20 5 BDBDRO C[C@@H](N[C@H](C)C1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000925824631 646496600 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236.275 1.462 20 5 BDBDRO Cc1ccnc(N2CC[N@@H+]3CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001158424185 963864907 /nfs/dbraw/zinc/86/49/07/963864907.db2.gz SGLCGKQFXTZWJV-SNVBAGLBSA-N 1 0 248.286 1.193 20 5 BDBDRO Cc1ccnc(N2CC[N@@H+]3CC[C@H]3C2)c1[N+](=O)[O-] ZINC001158424183 963866289 /nfs/dbraw/zinc/86/62/89/963866289.db2.gz SGLCGKQFXTZWJV-JTQLQIEISA-N 1 0 248.286 1.193 20 5 BDBDRO Cc1nc(N2CC[NH2+]C3(CC3)C2)ccc1[N+](=O)[O-] ZINC001158933004 963960819 /nfs/dbraw/zinc/96/08/19/963960819.db2.gz HRVOVIVUGUHHJJ-UHFFFAOYSA-N 1 0 248.286 1.240 20 5 BDBDRO COc1cc(NCC[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC001159774713 964191027 /nfs/dbraw/zinc/19/10/27/964191027.db2.gz MCYRYHUCDRWURK-SSDOTTSWSA-N 1 0 240.263 1.148 20 5 BDBDRO CC(C)([NH3+])CNc1nc(Cl)ncc1[N+](=O)[O-] ZINC001160026360 964241120 /nfs/dbraw/zinc/24/11/20/964241120.db2.gz VSNMSXMYAIORDR-UHFFFAOYSA-N 1 0 245.670 1.187 20 5 BDBDRO CC(C)(C)CCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224724848 964909209 /nfs/dbraw/zinc/90/92/09/964909209.db2.gz 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CC(C)[N@H+](CCN)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966031 969318989 /nfs/dbraw/zinc/31/89/89/969318989.db2.gz FXFFWCCFQJORSO-QWRGUYRKSA-N 1 0 229.324 1.101 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC001168966013 969319600 /nfs/dbraw/zinc/31/96/00/969319600.db2.gz FSOZWMLXIPHMDE-GMTAPVOTSA-N 1 0 228.292 1.200 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001168967858 969320329 /nfs/dbraw/zinc/32/03/29/969320329.db2.gz TZOUSKJSKXULMW-IJLUTSLNSA-N 1 0 242.319 1.448 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC001168967465 969320791 /nfs/dbraw/zinc/32/07/91/969320791.db2.gz PUXUHSCBEYALEW-GXSJLCMTSA-N 1 0 244.360 1.917 20 5 BDBDRO Cc1ccncc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967669 969321679 /nfs/dbraw/zinc/32/16/79/969321679.db2.gz SHMHQTWSCSCFIQ-AAEUAGOBSA-N 1 0 249.314 1.925 20 5 BDBDRO [NH3+]Cc1cccn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168969351 969321909 /nfs/dbraw/zinc/32/19/09/969321909.db2.gz 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246.282 1.101 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC3(CC3)C2)C1 ZINC001169011889 969338104 /nfs/dbraw/zinc/33/81/04/969338104.db2.gz NFOAJOPRVCXBRJ-QWRGUYRKSA-N 1 0 224.304 1.918 20 5 BDBDRO CO[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169010161 969339065 /nfs/dbraw/zinc/33/90/65/969339065.db2.gz ZDVNQAVKLBVPAV-SDDRHHMPSA-N 1 0 242.319 1.543 20 5 BDBDRO CO[C@@H](C)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986819 969342189 /nfs/dbraw/zinc/34/21/89/969342189.db2.gz ZTUUMPLVCUDNOG-GUBZILKMSA-N 1 0 216.281 1.056 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC3(C2)CCCO3)C1 ZINC001169014453 969342239 /nfs/dbraw/zinc/34/22/39/969342239.db2.gz ZWQWHVYVCJOVTG-WDEREUQCSA-N 1 0 240.303 1.297 20 5 BDBDRO CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168990028 969344475 /nfs/dbraw/zinc/34/44/75/969344475.db2.gz AVHIRDHIRQKFQL-SDDRHHMPSA-N 1 0 241.335 1.116 20 5 BDBDRO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)CO1 ZINC001169042456 969360705 /nfs/dbraw/zinc/36/07/05/969360705.db2.gz DOSKTSLADQMSIV-IRCOFANPSA-N 1 0 242.319 1.541 20 5 BDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC([NH3+])C1 ZINC001254534676 969726246 /nfs/dbraw/zinc/72/62/46/969726246.db2.gz AUFRBKJADMCIPF-VIFPVBQESA-N 1 0 235.287 1.169 20 5 BDBDRO [NH3+][C@@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572085 969739499 /nfs/dbraw/zinc/73/94/99/969739499.db2.gz IACPPXDVTULKHC-YPMHNXCESA-N 1 0 247.298 1.095 20 5 BDBDRO COCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568961 969741851 /nfs/dbraw/zinc/74/18/51/969741851.db2.gz XHAUOLXNLDEXQE-LLVKDONJSA-N 1 0 236.271 1.298 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@H](O)C1)C2 ZINC001254575041 969742171 /nfs/dbraw/zinc/74/21/71/969742171.db2.gz MZXYJCXOGZTIRQ-GVXVVHGQSA-N 1 0 248.282 1.175 20 5 BDBDRO COc1ncc(-n2c[nH+]c(C)c2N)cc1[N+](=O)[O-] ZINC001210137045 969809089 /nfs/dbraw/zinc/80/90/89/969809089.db2.gz RMOJAUICFVASQC-UHFFFAOYSA-N 1 0 249.230 1.075 20 5 BDBDRO C[NH2+]CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001156892360 970024751 /nfs/dbraw/zinc/02/47/51/970024751.db2.gz ZVDPASINXJMSKU-UHFFFAOYSA-N 1 0 246.270 1.774 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1-n1c[nH+]cc1N ZINC001211287242 970218555 /nfs/dbraw/zinc/21/85/55/970218555.db2.gz HIWCNKNZJYDWQO-UHFFFAOYSA-N 1 0 218.216 1.671 20 5 BDBDRO CC(C)([NH3+])CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401126807 970658345 /nfs/dbraw/zinc/65/83/45/970658345.db2.gz MNOILLMZSXGTPA-UHFFFAOYSA-N 1 0 228.227 1.278 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCc1cncs1 ZINC001223276671 972920268 /nfs/dbraw/zinc/92/02/68/972920268.db2.gz BJCCYYMQQYNPQB-SECBINFHSA-N 1 0 215.342 1.754 20 5 BDBDRO Cc1oc(=O)oc1CO[C@@H](C)C[N+](C)(C)C ZINC001223316084 972941354 /nfs/dbraw/zinc/94/13/54/972941354.db2.gz MXNBJSMXIVUGID-QMMMGPOBSA-N 1 0 230.284 1.153 20 5 BDBDRO C[NH2+]CCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328505375 973104987 /nfs/dbraw/zinc/10/49/87/973104987.db2.gz ZXSJIASZQCZZIT-UHFFFAOYSA-N 1 0 249.270 1.047 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCc1cscn1 ZINC001223570112 973183340 /nfs/dbraw/zinc/18/33/40/973183340.db2.gz MLNNDIIEEVWCGA-SECBINFHSA-N 1 0 215.342 1.754 20 5 BDBDRO C[C@H](C[NH+](C)C)OCc1ccc([N+](=O)[O-])nc1 ZINC001224109625 973451372 /nfs/dbraw/zinc/45/13/72/973451372.db2.gz VLGIYRQDVBJGSZ-SECBINFHSA-N 1 0 239.275 1.457 20 5 BDBDRO C[NH+]1CCC(CO[C@@H](C[N+](=O)[O-])C2CC2)CC1 ZINC001224454210 973659183 /nfs/dbraw/zinc/65/91/83/973659183.db2.gz OUTIPMFPNLCBKZ-LBPRGKRZSA-N 1 0 242.319 1.400 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OC[C@H]1CCOC1 ZINC001224476420 973686938 /nfs/dbraw/zinc/68/69/38/973686938.db2.gz MBGCVRJFVRHUID-QWRGUYRKSA-N 1 0 202.318 1.134 20 5 BDBDRO COC(=O)[C@@]1(C)C[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224621452 973801496 /nfs/dbraw/zinc/80/14/96/973801496.db2.gz VBNXSWDOWRPIDJ-BJHJDKERSA-N 1 0 244.355 1.441 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCCC1OCCCO1 ZINC001224728634 973894449 /nfs/dbraw/zinc/89/44/49/973894449.db2.gz XLLKGQWIWYYRFO-NSHDSACASA-N 1 0 232.344 1.251 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCCc1cccnc1 ZINC001224974386 974113344 /nfs/dbraw/zinc/11/33/44/974113344.db2.gz UHIPDVZTBDZPLW-GFCCVEGCSA-N 1 0 223.340 1.735 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(=O)cc[nH]1 ZINC001225606383 974588659 /nfs/dbraw/zinc/58/86/59/974588659.db2.gz FILDTNDHWREGHT-VIFPVBQESA-O 1 0 211.285 1.261 20 5 BDBDRO Cc1ccnc(O[C@H](C)C[N+](C)(C)C)n1 ZINC001225632021 974607288 /nfs/dbraw/zinc/60/72/88/974607288.db2.gz ORWOKJRTEFQDSM-SNVBAGLBSA-N 1 0 210.301 1.259 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(N)n1 ZINC001225756387 974671956 /nfs/dbraw/zinc/67/19/56/974671956.db2.gz MFVQERQUWYNDPV-VIFPVBQESA-N 1 0 210.301 1.137 20 5 BDBDRO C[N@@H+]1CC[C@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226006753 974759465 /nfs/dbraw/zinc/75/94/65/974759465.db2.gz HGNOPHLERRYHFW-QMMMGPOBSA-N 1 0 240.234 1.817 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccnc1F ZINC001226186964 974821311 /nfs/dbraw/zinc/82/13/11/974821311.db2.gz JMLLKWLMQDFYCA-VIFPVBQESA-N 1 0 213.276 1.694 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Cl)cn1 ZINC001226661441 974996323 /nfs/dbraw/zinc/99/63/23/974996323.db2.gz VADKDKJJNGHBFO-QMMMGPOBSA-N 1 0 230.719 1.604 20 5 BDBDRO C[NH+]1CCC(Oc2ccc([N+](=O)[O-])nc2)CC1 ZINC001226710763 975042016 /nfs/dbraw/zinc/04/20/16/975042016.db2.gz UWOVDTXEYFHJPS-UHFFFAOYSA-N 1 0 237.259 1.463 20 5 BDBDRO Cc1cc(O[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC001226840086 975115471 /nfs/dbraw/zinc/11/54/71/975115471.db2.gz CCEDFXGBDVFLIN-LLVKDONJSA-N 1 0 236.271 1.986 20 5 BDBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001332897109 975312943 /nfs/dbraw/zinc/31/29/43/975312943.db2.gz IJPOIEAORPJLDB-NXEZZACHSA-N 1 0 232.349 1.917 20 5 BDBDRO CS[C@@H]1CC[C@H]([N@H+](C)CC[N+](=O)[O-])C1 ZINC001333832381 976110402 /nfs/dbraw/zinc/11/04/02/976110402.db2.gz GIXFVQASLRNLMC-DTWKUNHWSA-N 1 0 218.322 1.479 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c2cnccc21 ZINC001228988993 976613524 /nfs/dbraw/zinc/61/35/24/976613524.db2.gz DCJDONRCNCAVNA-SECBINFHSA-N 1 0 235.311 1.431 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2ccnn2c1 ZINC001229904814 977022401 /nfs/dbraw/zinc/02/24/01/977022401.db2.gz XIYFYFAZQHESHM-JTQLQIEISA-N 1 0 235.311 1.203 20 5 BDBDRO C[NH+](C)CCCO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001206297752 978314830 /nfs/dbraw/zinc/31/48/30/978314830.db2.gz YATLYEBUCDFYCH-JTQLQIEISA-N 1 0 216.281 1.010 20 5 BDBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC001345019426 980524019 /nfs/dbraw/zinc/52/40/19/980524019.db2.gz RIOROXOXWUECJC-UWVGGRQHSA-N 1 0 244.291 1.068 20 5 BDBDRO Cn1c[nH+]cc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199814661 983023428 /nfs/dbraw/zinc/02/34/28/983023428.db2.gz MSMKYOHTTNGBKW-UHFFFAOYSA-N 1 0 234.215 1.778 20 5 BDBDRO Cc1c(C(=O)NCC2([NH3+])CC2)cccc1[N+](=O)[O-] ZINC001358375578 983859449 /nfs/dbraw/zinc/85/94/49/983859449.db2.gz FTMCMLFWISJRQF-UHFFFAOYSA-N 1 0 249.270 1.124 20 5 BDBDRO NC1=CCN(c2ccc(Cl)cc2[N+](=O)[O-])[NH2+]1 ZINC001472876933 987297141 /nfs/dbraw/zinc/29/71/41/987297141.db2.gz VTQFJZRPFPAZRY-UHFFFAOYSA-N 1 0 240.650 1.373 20 5 BDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC001325204529 989119849 /nfs/dbraw/zinc/11/98/49/989119849.db2.gz WYSYRRVVKZRPSQ-UHFFFAOYSA-N 1 0 240.307 1.912 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCc2ccccc21 ZINC001120378226 989648063 /nfs/dbraw/zinc/64/80/63/989648063.db2.gz XFTNDXWCCRDXHU-LLVKDONJSA-N 1 0 220.272 1.583 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCSc1ccccn1 ZINC001120603629 989776862 /nfs/dbraw/zinc/77/68/62/989776862.db2.gz QUWCSPQMDBBVDU-UHFFFAOYSA-N 1 0 241.316 1.430 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)C1(N)CC1 ZINC001574159015 992815216 /nfs/dbraw/zinc/81/52/16/992815216.db2.gz NMZIFOUGDGUDLM-UHFFFAOYSA-N 1 0 236.227 1.300 20 5 BDBDRO Cc1ccc2c(c1)[C@@H]([NH2+]CC[N+](=O)[O-])CC2 ZINC001262559255 992912266 /nfs/dbraw/zinc/91/22/66/992912266.db2.gz GHOPITAQDAXPET-LBPRGKRZSA-N 1 0 220.272 1.849 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC001262571022 992927946 /nfs/dbraw/zinc/92/79/46/992927946.db2.gz KPRIDSRHKTXNIT-WDEREUQCSA-N 1 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KVEZJSUIIVWMCC-YFKPBYRVSA-N 1 0 243.288 1.042 20 5 BDBDRO O=[N+]([O-])c1ncccc1-n1cnc(CCCO)c1 ZINC000609512491 342881241 /nfs/dbraw/zinc/88/12/41/342881241.db2.gz XYEKTYBOYMJUKN-UHFFFAOYSA-N 1 0 248.242 1.100 20 5 BDBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000228085761 398321907 /nfs/dbraw/zinc/32/19/07/398321907.db2.gz QRVHNDFWQMVKSX-VHSXEESVSA-N 1 0 238.287 1.844 20 5 BDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000134847709 342901979 /nfs/dbraw/zinc/90/19/79/342901979.db2.gz UDZDPAUWUOUACT-UHFFFAOYSA-N 1 0 238.287 1.798 20 5 BDBDRO O=[N+]([O-])c1cccnc1NCC[C@H]1CCC[NH2+]1 ZINC000166830318 136364282 /nfs/dbraw/zinc/36/42/82/136364282.db2.gz UZCNSHCYDPURSJ-SECBINFHSA-N 1 0 236.275 1.544 20 5 BDBDRO C[C@@H](CNCc1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000038087515 343942209 /nfs/dbraw/zinc/94/22/09/343942209.db2.gz PZVHSGQDKLHJOY-QMMMGPOBSA-N 1 0 243.332 1.696 20 5 BDBDRO O=[N+]([O-])c1cc(CN2CCC[NH2+]CC2)cs1 ZINC000038087069 343942458 /nfs/dbraw/zinc/94/24/58/343942458.db2.gz SUYSWAPLRAPYIZ-UHFFFAOYSA-N 1 0 241.316 1.452 20 5 BDBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000038088053 343942473 /nfs/dbraw/zinc/94/24/73/343942473.db2.gz OWCFEJOSWZDZNU-JTQLQIEISA-N 1 0 237.303 1.635 20 5 BDBDRO C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000600713651 344362271 /nfs/dbraw/zinc/36/22/71/344362271.db2.gz KHMNWANSNWTESA-GBIKHYSHSA-N 1 0 249.314 1.996 20 5 BDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000381531701 344518082 /nfs/dbraw/zinc/51/80/82/344518082.db2.gz AUPSWVPSQALZRW-RITPCOANSA-N 1 0 243.288 1.122 20 5 BDBDRO CC(C)([NH3+])c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000070117714 345413562 /nfs/dbraw/zinc/41/35/62/345413562.db2.gz CURGPINZLADPAL-UHFFFAOYSA-N 1 0 247.258 1.369 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[NH2+]C2)c1 ZINC000133797858 178929025 /nfs/dbraw/zinc/92/90/25/178929025.db2.gz RXGOHCUCCNFYBH-JTQLQIEISA-N 1 0 235.287 1.925 20 5 BDBDRO Cc1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000050228635 179011492 /nfs/dbraw/zinc/01/14/92/179011492.db2.gz YMRSECAINAVNCO-SECBINFHSA-N 1 0 249.270 1.076 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601139797 346343395 /nfs/dbraw/zinc/34/33/95/346343395.db2.gz KUNIYMLDBBPRCT-JGZJWPJOSA-N 1 0 236.271 1.455 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N(C)CC[NH+](C)C ZINC000267098475 179206335 /nfs/dbraw/zinc/20/63/35/179206335.db2.gz WCIDVCILGPMRJX-UHFFFAOYSA-N 1 0 237.303 1.901 20 5 BDBDRO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])nc1 ZINC000590696227 347492821 /nfs/dbraw/zinc/49/28/21/347492821.db2.gz KYHFUWMKHCVQKR-UHFFFAOYSA-N 1 0 238.291 1.378 20 5 BDBDRO CC1(C)CN(c2sccc2[N+](=O)[O-])CC[NH2+]1 ZINC000591444538 347662813 /nfs/dbraw/zinc/66/28/13/347662813.db2.gz MBYLMFJJPYWMHR-UHFFFAOYSA-N 1 0 241.316 1.845 20 5 BDBDRO CN(Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000592431381 347777872 /nfs/dbraw/zinc/77/78/72/347777872.db2.gz YMBWXRMUIMVGCT-UHFFFAOYSA-N 1 0 237.303 1.764 20 5 BDBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000594738667 348110605 /nfs/dbraw/zinc/11/06/05/348110605.db2.gz LDPWYIYHDLNPCW-UHFFFAOYSA-N 1 0 249.314 1.956 20 5 BDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCO ZINC000595003762 348169260 /nfs/dbraw/zinc/16/92/60/348169260.db2.gz JRTATUGWGHMCMS-MRVPVSSYSA-N 1 0 240.259 1.246 20 5 BDBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595101330 348195072 /nfs/dbraw/zinc/19/50/72/348195072.db2.gz DJWIBYWHJNJKNF-PEXQALLHSA-N 1 0 236.271 1.769 20 5 BDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000595807477 348348800 /nfs/dbraw/zinc/34/88/00/348348800.db2.gz JHZRQYHUGWQAGI-NXEZZACHSA-N 1 0 236.275 1.133 20 5 BDBDRO [NH3+]CC12CC(C1)CN2Cc1cccc([N+](=O)[O-])c1 ZINC000595912170 348398890 /nfs/dbraw/zinc/39/88/90/348398890.db2.gz YTAPJAPLXKUNOG-UHFFFAOYSA-N 1 0 247.298 1.518 20 5 BDBDRO C[NH2+]C[C@@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000596104586 348440374 /nfs/dbraw/zinc/44/03/74/348440374.db2.gz GRTWYWZZSYWLTJ-OKPNEXGHSA-N 1 0 249.314 1.806 20 5 BDBDRO C[NH2+]CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000420160518 192165828 /nfs/dbraw/zinc/16/58/28/192165828.db2.gz DVLFNDSKPLYVBS-UHFFFAOYSA-N 1 0 246.270 1.196 20 5 BDBDRO C[C@H](O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000597235577 348701154 /nfs/dbraw/zinc/70/11/54/348701154.db2.gz ZZVBIMOTLODCDD-VIFPVBQESA-N 1 0 236.271 1.598 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]CC2COC2)cs1 ZINC000599012703 349076304 /nfs/dbraw/zinc/07/63/04/349076304.db2.gz VENLVPOBLCOCIA-UHFFFAOYSA-N 1 0 228.273 1.392 20 5 BDBDRO CO[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000599017317 349083148 /nfs/dbraw/zinc/08/31/48/349083148.db2.gz XKBKIHHQDOIYBO-KYZUINATSA-N 1 0 242.300 1.923 20 5 BDBDRO Cc1nc(N2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000132011245 180002107 /nfs/dbraw/zinc/00/21/07/180002107.db2.gz VNXMRUJZYWQYPI-VIFPVBQESA-N 1 0 236.275 1.226 20 5 BDBDRO C[C@@H]1C[C@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350086688 350315365 /nfs/dbraw/zinc/31/53/65/350315365.db2.gz UFHQMQRXLSEPIC-VHSXEESVSA-N 1 0 238.291 1.522 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1OC[C@H]1CC[NH2+]C1 ZINC000051890683 350549369 /nfs/dbraw/zinc/54/93/69/350549369.db2.gz QZYSKDXHWQYQEW-JTQLQIEISA-N 1 0 236.271 1.892 20 5 BDBDRO Cc1c(Cc2nc(CN)no2)cccc1[N+](=O)[O-] ZINC000577511910 365975985 /nfs/dbraw/zinc/97/59/85/365975985.db2.gz CPIQEFHRHNAKCG-UHFFFAOYSA-N 1 0 248.242 1.336 20 5 BDBDRO C[C@H]1C[N@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000344426072 351125825 /nfs/dbraw/zinc/12/58/25/351125825.db2.gz IUZSKBOYSYGCJD-JTQLQIEISA-N 1 0 235.287 1.735 20 5 BDBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](C)O ZINC000386754144 363038389 /nfs/dbraw/zinc/03/83/89/363038389.db2.gz HDDLCANKWWOCQT-APPZFPTMSA-N 1 0 244.316 1.905 20 5 BDBDRO CC(C)[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000266938577 187845082 /nfs/dbraw/zinc/84/50/82/187845082.db2.gz VWIMENCZSUISOT-JTQLQIEISA-N 1 0 240.307 1.768 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1C[C@@H](O)C1 ZINC000449746257 202018644 /nfs/dbraw/zinc/01/86/44/202018644.db2.gz FMBCUOSSPFMXOZ-BFJGBIGKSA-N 1 0 248.282 1.721 20 5 BDBDRO COc1cc(C[N@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000351970615 134024830 /nfs/dbraw/zinc/02/48/30/134024830.db2.gz GDTDUWVTPZEAKI-UHFFFAOYSA-N 1 0 240.259 1.028 20 5 BDBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000053297335 356201412 /nfs/dbraw/zinc/20/14/12/356201412.db2.gz HSPDZBBWBANINA-UHFFFAOYSA-N 1 0 236.275 1.496 20 5 BDBDRO CC1(C)C[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000088137764 356530208 /nfs/dbraw/zinc/53/02/08/356530208.db2.gz YWOHDSFVHCYQMN-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO [NH3+][C@H](CNc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000168240448 134160656 /nfs/dbraw/zinc/16/06/56/134160656.db2.gz XYRUQBLIHKKTKB-SECBINFHSA-N 1 0 222.248 1.139 20 5 BDBDRO Cc1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1[N+](=O)[O-] ZINC000384800089 356753301 /nfs/dbraw/zinc/75/33/01/356753301.db2.gz SFPNUFNKVNBYCZ-SECBINFHSA-N 1 0 235.243 1.204 20 5 BDBDRO C[NH2+]CCN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000346677806 357134282 /nfs/dbraw/zinc/13/42/82/357134282.db2.gz LOTASWVOFFNQOG-UHFFFAOYSA-N 1 0 237.303 1.554 20 5 BDBDRO CN(Cc1ccccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000346845623 357161252 /nfs/dbraw/zinc/16/12/52/357161252.db2.gz KNEKVYULBSYSBX-UHFFFAOYSA-N 1 0 237.303 1.764 20 5 BDBDRO C[C@@H]([NH3+])Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000583691864 357119453 /nfs/dbraw/zinc/11/94/53/357119453.db2.gz RWBISZOFMUHJBR-SECBINFHSA-N 1 0 246.270 1.806 20 5 BDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])NC1C[NH2+]C1 ZINC000582899032 357424697 /nfs/dbraw/zinc/42/46/97/357424697.db2.gz OAOPKQYECOXKOL-SNVBAGLBSA-N 1 0 249.314 1.477 20 5 BDBDRO C[C@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000035601431 358002498 /nfs/dbraw/zinc/00/24/98/358002498.db2.gz UHDFAXSDAMNOAE-IUCAKERBSA-N 1 0 224.260 1.626 20 5 BDBDRO C[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000035602132 358002545 /nfs/dbraw/zinc/00/25/45/358002545.db2.gz UNUYPZPPVKSWTB-RKDXNWHRSA-N 1 0 224.260 1.626 20 5 BDBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cn1 ZINC000130595324 358633329 /nfs/dbraw/zinc/63/33/29/358633329.db2.gz YIJVEACGOFDCPX-MRVPVSSYSA-N 1 0 224.264 1.352 20 5 BDBDRO C[C@@H](Cn1cc([N+](=O)[O-])c(C2CC2)n1)[NH+](C)C ZINC000436195420 201314616 /nfs/dbraw/zinc/31/46/16/201314616.db2.gz RSCJOUQCQWMOEM-QMMMGPOBSA-N 1 0 238.291 1.619 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCOCC2)cs1 ZINC000037472370 364053899 /nfs/dbraw/zinc/05/38/99/364053899.db2.gz HDOUVLGEBOXQPS-UHFFFAOYSA-N 1 0 242.300 1.925 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCO)cc1 ZINC000020188466 371241380 /nfs/dbraw/zinc/24/13/80/371241380.db2.gz PCTSLTAYHXDRDZ-UHFFFAOYSA-N 1 0 210.233 1.067 20 5 BDBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[NH2+]C2)c1 ZINC000155920879 371318378 /nfs/dbraw/zinc/31/83/78/371318378.db2.gz CUSPYULLACIXMB-QMMMGPOBSA-N 1 0 237.259 1.377 20 5 BDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000041028131 181643854 /nfs/dbraw/zinc/64/38/54/181643854.db2.gz VRNYOGNILKDPAS-JTQLQIEISA-N 1 0 249.270 1.158 20 5 BDBDRO COc1cc([N+](=O)[O-])ccc1OCC1C[NH2+]C1 ZINC000302656198 371585848 /nfs/dbraw/zinc/58/58/48/371585848.db2.gz XAHQEQZPBQMSCO-UHFFFAOYSA-N 1 0 238.243 1.202 20 5 BDBDRO CCN(CC[NH3+])Cc1ccc([N+](=O)[O-])cc1C ZINC000600776303 371699673 /nfs/dbraw/zinc/69/96/73/371699673.db2.gz QZDIMWDKODMDNC-UHFFFAOYSA-N 1 0 237.303 1.684 20 5 BDBDRO C[NH2+]CCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000600787690 371701531 /nfs/dbraw/zinc/70/15/31/371701531.db2.gz DKYRCOUWERYAII-UHFFFAOYSA-N 1 0 246.270 1.678 20 5 BDBDRO CC[C@@H](C)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439693 371803087 /nfs/dbraw/zinc/80/30/87/371803087.db2.gz LCBYDOABRZYFST-MRVPVSSYSA-N 1 0 226.280 1.559 20 5 BDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000602569638 371820631 /nfs/dbraw/zinc/82/06/31/371820631.db2.gz CTZBPOKXWGBAEN-GZMMTYOYSA-N 1 0 249.270 1.075 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1C ZINC000602780154 371838535 /nfs/dbraw/zinc/83/85/35/371838535.db2.gz FJPCWAHDPDCZNS-SECBINFHSA-N 1 0 238.291 1.584 20 5 BDBDRO O=[N+]([O-])c1ccccc1CO[C@H]1CCC[NH2+]C1 ZINC000051787402 182948854 /nfs/dbraw/zinc/94/88/54/182948854.db2.gz RSELBRRTQMNKEW-NSHDSACASA-N 1 0 236.271 1.863 20 5 BDBDRO CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332705337 169208553 /nfs/dbraw/zinc/20/85/53/169208553.db2.gz WVVLCUGUHOVYRG-UHFFFAOYSA-N 1 0 221.260 1.758 20 5 BDBDRO C[C@H](CCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000096811329 383939855 /nfs/dbraw/zinc/93/98/55/383939855.db2.gz NOJHKZZTOPFTRE-SSDOTTSWSA-N 1 0 230.289 1.517 20 5 BDBDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000050228816 383977297 /nfs/dbraw/zinc/97/72/97/383977297.db2.gz NOGUAGDHYGHOSS-JTQLQIEISA-N 1 0 249.270 1.076 20 5 BDBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ncc[nH]2)c1 ZINC000158026998 384042860 /nfs/dbraw/zinc/04/28/60/384042860.db2.gz XRPIFQVQJMSQOT-UHFFFAOYSA-N 1 0 246.270 1.650 20 5 BDBDRO CC[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000293913151 384065103 /nfs/dbraw/zinc/06/51/03/384065103.db2.gz OPTFZQXMRIPEHP-LLVKDONJSA-N 1 0 238.287 1.798 20 5 BDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135222695 384181727 /nfs/dbraw/zinc/18/17/27/384181727.db2.gz CHTZBQCTPOZOAQ-SNVBAGLBSA-N 1 0 249.270 1.076 20 5 BDBDRO C[NH2+][C@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000234483117 384188841 /nfs/dbraw/zinc/18/88/41/384188841.db2.gz HFCMNCDEBKGZLN-JTQLQIEISA-N 1 0 235.287 1.701 20 5 BDBDRO C[N@H+](CCC1CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000135252749 384195796 /nfs/dbraw/zinc/19/57/96/384195796.db2.gz SZSDJGJPRZEYBF-UHFFFAOYSA-N 1 0 238.291 1.523 20 5 BDBDRO Cc1ccnc(NCCCC[NH3+])c1[N+](=O)[O-] ZINC000070062589 384217577 /nfs/dbraw/zinc/21/75/77/384217577.db2.gz FRKOBDFGBQGALQ-UHFFFAOYSA-N 1 0 224.264 1.449 20 5 BDBDRO C[C@H](O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000075783299 384338053 /nfs/dbraw/zinc/33/80/53/384338053.db2.gz GNIZUKKXWAETTL-JTQLQIEISA-N 1 0 238.287 1.798 20 5 BDBDRO C[C@@H]([NH2+][C@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000179063608 384381852 /nfs/dbraw/zinc/38/18/52/384381852.db2.gz BCXBRRYCZCYUSW-KCJUWKMLSA-N 1 0 249.270 1.134 20 5 BDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422949403 384488033 /nfs/dbraw/zinc/48/80/33/384488033.db2.gz UBAPSJIBMMPPFF-PWSUYJOCSA-N 1 0 249.314 1.682 20 5 BDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000147888803 384534216 /nfs/dbraw/zinc/53/42/16/384534216.db2.gz VGEVCKPYMRJKBQ-SECBINFHSA-N 1 0 249.270 1.029 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ncc[nH]2)cc1 ZINC000049715659 384562523 /nfs/dbraw/zinc/56/25/23/384562523.db2.gz YDRYHXFRILOHDF-UHFFFAOYSA-N 1 0 246.270 1.650 20 5 BDBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000125730010 384747327 /nfs/dbraw/zinc/74/73/27/384747327.db2.gz NJTQPKVRSSLTTK-JGVFFNPUSA-N 1 0 244.316 1.763 20 5 BDBDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000147765360 384856938 /nfs/dbraw/zinc/85/69/38/384856938.db2.gz CQBQEXWLWQKIDL-ONGXEEELSA-N 1 0 236.271 1.862 20 5 BDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000106882409 384935779 /nfs/dbraw/zinc/93/57/79/384935779.db2.gz LHBMSLQBQQJLMM-GFCCVEGCSA-N 1 0 236.271 1.816 20 5 BDBDRO Cc1c(NC(=O)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000062113797 385062412 /nfs/dbraw/zinc/06/24/12/385062412.db2.gz ZLJWNGLSHYCBMZ-SECBINFHSA-N 1 0 249.270 1.451 20 5 BDBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000364317714 385029942 /nfs/dbraw/zinc/02/99/42/385029942.db2.gz OWZYOUJZWZOZQM-GFCCVEGCSA-N 1 0 248.282 1.552 20 5 BDBDRO Cc1cnc(N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000085426993 385173354 /nfs/dbraw/zinc/17/33/54/385173354.db2.gz XNNAEXKODWZQDK-QMMMGPOBSA-N 1 0 222.248 1.072 20 5 BDBDRO [NH3+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129229631 385740519 /nfs/dbraw/zinc/74/05/19/385740519.db2.gz APDYVACTAFNBBL-NSHDSACASA-N 1 0 249.270 1.062 20 5 BDBDRO C[NH2+][C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000128070237 385956501 /nfs/dbraw/zinc/95/65/01/385956501.db2.gz YCVPGZNHBRPBAN-NSHDSACASA-N 1 0 235.287 1.389 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@@H]2O)c1 ZINC000052926366 386371084 /nfs/dbraw/zinc/37/10/84/386371084.db2.gz RWPRAYQJJGDINS-NEPJUHHUSA-N 1 0 236.271 1.598 20 5 BDBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000228067780 386582364 /nfs/dbraw/zinc/58/23/64/386582364.db2.gz JKGOCBMPQIOHMM-VHSXEESVSA-N 1 0 238.287 1.844 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccco2)c1 ZINC000151295047 386663465 /nfs/dbraw/zinc/66/34/65/386663465.db2.gz DBVDQNYCRYFULT-UHFFFAOYSA-N 1 0 236.231 1.174 20 5 BDBDRO CC[NH2+]CCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414836380 386737677 /nfs/dbraw/zinc/73/76/77/386737677.db2.gz WEZLQHYZPPKPEE-FNORWQNLSA-N 1 0 249.314 1.807 20 5 BDBDRO C[C@@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294608924 386820658 /nfs/dbraw/zinc/82/06/58/386820658.db2.gz DQFUQXMCIMVINP-HTQZYQBOSA-N 1 0 239.275 1.208 20 5 BDBDRO C[C@H]([NH2+]CCN1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000358344707 386933735 /nfs/dbraw/zinc/93/37/35/386933735.db2.gz XNKBIWRMDVWJGZ-NSHDSACASA-N 1 0 249.314 1.951 20 5 BDBDRO CC[NH+](CC)CCCn1cc([N+](=O)[O-])c(C)n1 ZINC000295275105 387059153 /nfs/dbraw/zinc/05/91/53/387059153.db2.gz IBBJDUQGGGVPEK-UHFFFAOYSA-N 1 0 240.307 1.832 20 5 BDBDRO C[C@H]1[NH2+]CCN(Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000346648872 387356653 /nfs/dbraw/zinc/35/66/53/387356653.db2.gz BNPKTWUBTAJNGX-MNOVXSKESA-N 1 0 249.314 1.777 20 5 BDBDRO C[NH+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192450209 387367835 /nfs/dbraw/zinc/36/78/35/387367835.db2.gz YHAZVLSKDHADHA-ZETCQYMHSA-N 1 0 242.304 1.192 20 5 BDBDRO Cc1c([C@H](C)[NH2+][C@H](C)CO)cccc1[N+](=O)[O-] ZINC000268874529 387543536 /nfs/dbraw/zinc/54/35/36/387543536.db2.gz WEWBULMKKJWJOG-SCZZXKLOSA-N 1 0 238.287 1.935 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[NH2+]C1 ZINC000414893200 387592996 /nfs/dbraw/zinc/59/29/96/387592996.db2.gz YSBMXBFTGVZHSW-NSHDSACASA-N 1 0 235.287 1.355 20 5 BDBDRO C[NH2+]CCCNCc1ccc([N+](=O)[O-])cc1C ZINC000414862721 387569425 /nfs/dbraw/zinc/56/94/25/387569425.db2.gz WIFPKLGNXMHGHP-UHFFFAOYSA-N 1 0 237.303 1.602 20 5 BDBDRO C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000415012627 387663393 /nfs/dbraw/zinc/66/33/93/387663393.db2.gz SYCHEYLUHMZJGT-KKSDUGGKSA-N 1 0 249.314 1.933 20 5 BDBDRO C[C@@H]([NH3+])[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000415018682 387663909 /nfs/dbraw/zinc/66/39/09/387663909.db2.gz QYRVVHSHDHTIQC-SFYZADRCSA-N 1 0 241.266 1.559 20 5 BDBDRO CC1(C)[NH2+]CC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000415043969 387678055 /nfs/dbraw/zinc/67/80/55/387678055.db2.gz RTLRSMMOCXSMGQ-LBPRGKRZSA-N 1 0 249.314 1.825 20 5 BDBDRO CC[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000037029651 388084873 /nfs/dbraw/zinc/08/48/73/388084873.db2.gz RGYUCAHUZXHRLD-VIFPVBQESA-N 1 0 237.259 1.579 20 5 BDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000086471327 388102572 /nfs/dbraw/zinc/10/25/72/388102572.db2.gz RQVGDKNVMVATFC-DTWKUNHWSA-N 1 0 236.275 1.176 20 5 BDBDRO C[C@H]1C[C@H](C)[NH+]1CCn1cc([N+](=O)[O-])cn1 ZINC000548424526 388359301 /nfs/dbraw/zinc/35/93/01/388359301.db2.gz QRRCGLYSPTUMNG-IUCAKERBSA-N 1 0 224.264 1.274 20 5 BDBDRO CC(C)[NH+](Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000352771074 388364101 /nfs/dbraw/zinc/36/41/01/388364101.db2.gz WUIOWUTUZQDPHY-UHFFFAOYSA-N 1 0 240.307 1.947 20 5 BDBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000164604430 388394634 /nfs/dbraw/zinc/39/46/34/388394634.db2.gz YBJJJBUQSIQQGF-SFYZADRCSA-N 1 0 244.316 1.905 20 5 BDBDRO CN(CC[NH3+])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054419462 388519147 /nfs/dbraw/zinc/51/91/47/388519147.db2.gz CMAIXYUZTVZODZ-UHFFFAOYSA-N 1 0 229.667 1.643 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)C[NH2+]CC21CC1 ZINC000091368609 388627290 /nfs/dbraw/zinc/62/72/90/388627290.db2.gz PYMKGCGDRBMJOA-UHFFFAOYSA-N 1 0 204.229 1.730 20 5 BDBDRO C[NH2+]CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423225553 388689645 /nfs/dbraw/zinc/68/96/45/388689645.db2.gz NFIDDUVCYPGKLY-SECBINFHSA-N 1 0 223.276 1.465 20 5 BDBDRO C[NH2+]CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423228525 388690270 /nfs/dbraw/zinc/69/02/70/388690270.db2.gz ZYSHRDWSLWNDJT-SECBINFHSA-N 1 0 223.276 1.465 20 5 BDBDRO Cc1c([C@H](C)N[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000423327519 388691070 /nfs/dbraw/zinc/69/10/70/388691070.db2.gz NIXKNRQGUSSSEM-SCZZXKLOSA-N 1 0 237.303 1.901 20 5 BDBDRO [NH3+]CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423725680 388694403 /nfs/dbraw/zinc/69/44/03/388694403.db2.gz OJICPCUSRBXARN-UHFFFAOYSA-N 1 0 249.270 1.045 20 5 BDBDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000424316568 388695941 /nfs/dbraw/zinc/69/59/41/388695941.db2.gz NDMYXFAXRRECOQ-GGZOMVNGSA-N 1 0 236.271 1.769 20 5 BDBDRO C[C@H](CO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000082285477 388724201 /nfs/dbraw/zinc/72/42/01/388724201.db2.gz XWDOCDKASSAUAD-ZETCQYMHSA-N 1 0 230.289 1.374 20 5 BDBDRO C[C@@H]([NH2+]C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284254542 388828479 /nfs/dbraw/zinc/82/84/79/388828479.db2.gz VWAOGOIYHYAGBO-SSDOTTSWSA-N 1 0 221.260 1.990 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCCCCC2)c1 ZINC000157304794 388833828 /nfs/dbraw/zinc/83/38/28/388833828.db2.gz KUMJLLIORWQOCV-UHFFFAOYSA-N 1 0 238.291 1.667 20 5 BDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000090538646 388857366 /nfs/dbraw/zinc/85/73/66/388857366.db2.gz KMRNFTXDVTWNPT-QMMMGPOBSA-N 1 0 224.264 1.179 20 5 BDBDRO C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342387 132239099 /nfs/dbraw/zinc/23/90/99/132239099.db2.gz CCYXJOMRQZORCE-UWVGGRQHSA-N 1 0 235.287 1.768 20 5 BDBDRO Cc1cc(N2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000041030168 132296733 /nfs/dbraw/zinc/29/67/33/132296733.db2.gz VASMGBNCQPAOAN-SNVBAGLBSA-N 1 0 235.287 1.831 20 5 BDBDRO Cc1cccc(N2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000235369809 132395652 /nfs/dbraw/zinc/39/56/52/132395652.db2.gz LBFUYPNEMXYITE-SNVBAGLBSA-N 1 0 235.287 1.701 20 5 BDBDRO [NH3+][C@H](CNc1ncccc1[N+](=O)[O-])C1CC1 ZINC000168236220 134160792 /nfs/dbraw/zinc/16/07/92/134160792.db2.gz GFUBFWRHIHYHFF-MRVPVSSYSA-N 1 0 222.248 1.139 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@@H](C)[NH3+] ZINC000063171352 134523649 /nfs/dbraw/zinc/52/36/49/134523649.db2.gz LRJJBGUSVBQTBV-MRVPVSSYSA-N 1 0 224.264 1.447 20 5 BDBDRO [NH3+][C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149411205 134841361 /nfs/dbraw/zinc/84/13/61/134841361.db2.gz RXAYPJOKFYLTEP-SSDOTTSWSA-N 1 0 242.666 1.181 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000261542846 135182969 /nfs/dbraw/zinc/18/29/69/135182969.db2.gz QQOMCLRLVMISSW-VXNVDRBHSA-N 1 0 236.275 1.082 20 5 BDBDRO C[C@H]1[C@H]([NH3+])CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000261544031 135185249 /nfs/dbraw/zinc/18/52/49/135185249.db2.gz DMWLLYBPUNNEGI-JOYOIKCWSA-N 1 0 235.287 1.516 20 5 BDBDRO C[C@H]1[C@@H]([NH3+])CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000261553868 135193474 /nfs/dbraw/zinc/19/34/74/135193474.db2.gz OIPDQIYVSGKGNZ-CBAPKCEASA-N 1 0 239.250 1.660 20 5 BDBDRO Cc1cc(N2CC[C@H]([NH3+])[C@@H]2C)ncc1[N+](=O)[O-] ZINC000261555563 135195427 /nfs/dbraw/zinc/19/54/27/135195427.db2.gz PXPFTPRTYZGORG-IUCAKERBSA-N 1 0 236.275 1.224 20 5 BDBDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000261561132 135201634 /nfs/dbraw/zinc/20/16/34/135201634.db2.gz VEQNYNPEZZRUTP-BXKDBHETSA-N 1 0 235.287 1.516 20 5 BDBDRO C[C@@H]([NH3+])CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000261564223 135206361 /nfs/dbraw/zinc/20/63/61/135206361.db2.gz XPHQIMWSUAKDTL-SNVBAGLBSA-N 1 0 237.303 1.416 20 5 BDBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1csc([N+](=O)[O-])c1 ZINC000261570120 135211795 /nfs/dbraw/zinc/21/17/95/135211795.db2.gz GRFSDKQIGHATBO-CBAPKCEASA-N 1 0 241.316 1.578 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261572181 135214072 /nfs/dbraw/zinc/21/40/72/135214072.db2.gz LMTPDEYXUUKEBN-WDEREUQCSA-N 1 0 247.298 1.641 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000261581528 135222064 /nfs/dbraw/zinc/22/20/64/135222064.db2.gz QQGRZRDOPPLVFM-ZJUUUORDSA-N 1 0 248.286 1.036 20 5 BDBDRO C[C@@]1(C[NH3+])CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261589235 135230069 /nfs/dbraw/zinc/23/00/69/135230069.db2.gz WDHUFFDUGXMQFA-ZDUSSCGKSA-N 1 0 249.314 1.766 20 5 BDBDRO Cc1nc(N2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262082846 135278082 /nfs/dbraw/zinc/27/80/82/135278082.db2.gz XSRPZUQVVJQWGG-QMMMGPOBSA-N 1 0 236.275 1.096 20 5 BDBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000262255773 135288401 /nfs/dbraw/zinc/28/84/01/135288401.db2.gz XDGNGZRUBDARNP-SECBINFHSA-N 1 0 239.250 1.185 20 5 BDBDRO CN(c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000070896616 398037967 /nfs/dbraw/zinc/03/79/67/398037967.db2.gz LZVMQMVCLZUROE-SECBINFHSA-N 1 0 221.260 1.393 20 5 BDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000211925198 398050873 /nfs/dbraw/zinc/05/08/73/398050873.db2.gz YDRYKCXIBCFXDZ-JQWIXIFHSA-N 1 0 233.271 1.141 20 5 BDBDRO C[NH2+]CCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000124727903 173346268 /nfs/dbraw/zinc/34/62/68/173346268.db2.gz CKQCVKJOOLBPJY-UHFFFAOYSA-N 1 0 237.303 1.636 20 5 BDBDRO C[NH2+]CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000054244770 173356853 /nfs/dbraw/zinc/35/68/53/173356853.db2.gz VGPDDXVNACDCOZ-UHFFFAOYSA-N 1 0 209.249 1.535 20 5 BDBDRO C[NH2+]CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000129716520 173356881 /nfs/dbraw/zinc/35/68/81/173356881.db2.gz LOYOIVINSHYUMI-UHFFFAOYSA-N 1 0 225.248 1.235 20 5 BDBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000129586925 173375347 /nfs/dbraw/zinc/37/53/47/173375347.db2.gz IDKYTDFGQXUWKG-QMMMGPOBSA-N 1 0 238.291 1.566 20 5 BDBDRO C[NH2+]C[C@H](C)CNc1ccccc1[N+](=O)[O-] ZINC000129519399 173375714 /nfs/dbraw/zinc/37/57/14/173375714.db2.gz IIXOTNWFRXYYIQ-VIFPVBQESA-N 1 0 223.276 1.862 20 5 BDBDRO COc1ccc(C[NH2+][C@@H](C)CO)cc1[N+](=O)[O-] ZINC000035604588 175109454 /nfs/dbraw/zinc/10/94/54/175109454.db2.gz SHLOYVNYKWCFIE-QMMMGPOBSA-N 1 0 240.259 1.074 20 5 BDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC[NH3+] ZINC000054417031 176026276 /nfs/dbraw/zinc/02/62/76/176026276.db2.gz CWLNYPTUFFVQAW-VIFPVBQESA-N 1 0 223.276 1.546 20 5 BDBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267092387 176169387 /nfs/dbraw/zinc/16/93/87/176169387.db2.gz QDMVIOYXSCPUSV-SECBINFHSA-N 1 0 224.264 1.133 20 5 BDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000235354049 176261130 /nfs/dbraw/zinc/26/11/30/176261130.db2.gz ZQSZLEDYARVHKE-KCJUWKMLSA-N 1 0 249.270 1.014 20 5 BDBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351783322 176304022 /nfs/dbraw/zinc/30/40/22/176304022.db2.gz RKWHIXOZNFGJPH-SKDRFNHKSA-N 1 0 236.271 1.407 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000038087027 177042431 /nfs/dbraw/zinc/04/24/31/177042431.db2.gz QTAYKXVUTYYGIV-LLVKDONJSA-N 1 0 249.314 1.951 20 5 BDBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000351956984 177266605 /nfs/dbraw/zinc/26/66/05/177266605.db2.gz DTQOASSSMZZCST-CABZTGNLSA-N 1 0 236.271 1.407 20 5 BDBDRO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339054 177266611 /nfs/dbraw/zinc/26/66/11/177266611.db2.gz HJVCSUCTHJQBFI-JQWIXIFHSA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235687870 177277658 /nfs/dbraw/zinc/27/76/58/177277658.db2.gz CAPXKFAVKITMGB-IUCAKERBSA-N 1 0 221.260 1.378 20 5 BDBDRO C[C@H]1C[C@H](C[NH3+])CN1c1ccccc1[N+](=O)[O-] ZINC000126101865 177362443 /nfs/dbraw/zinc/36/24/43/177362443.db2.gz XJSSFBABKUAJMX-VHSXEESVSA-N 1 0 235.287 1.768 20 5 BDBDRO C[C@@H]([NH3+])C[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000566229938 322976559 /nfs/dbraw/zinc/97/65/59/322976559.db2.gz VDIBGWKYQOIBQO-SFYZADRCSA-N 1 0 243.332 1.872 20 5 BDBDRO C[C@H](C[C@H](C)[NH3+])NCc1csc([N+](=O)[O-])c1 ZINC000566229937 322976561 /nfs/dbraw/zinc/97/65/61/322976561.db2.gz VDIBGWKYQOIBQO-JGVFFNPUSA-N 1 0 243.332 1.872 20 5 BDBDRO [NH3+]C[C@H]1CC[C@H](Cn2cnc([N+](=O)[O-])c2)CC1 ZINC000566184264 326007695 /nfs/dbraw/zinc/00/76/95/326007695.db2.gz JSFGFPASKZCJDS-MGCOHNPYSA-N 1 0 238.291 1.556 20 5 BDBDRO C[NH2+]CCCOc1ncc(C)cc1[N+](=O)[O-] ZINC000569101023 326389918 /nfs/dbraw/zinc/38/99/18/326389918.db2.gz XUMZZBHPKAZGNV-UHFFFAOYSA-N 1 0 225.248 1.287 20 5 BDBDRO C[NH2+][C@@H](C)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000261567349 536344940 /nfs/dbraw/zinc/34/49/40/536344940.db2.gz DXHMICFKYVCOEU-ZETCQYMHSA-N 1 0 224.264 1.318 20 5 BDBDRO C[NH2+][C@H](C)CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000261557662 536404851 /nfs/dbraw/zinc/40/48/51/536404851.db2.gz CSONRCHMNQOTDM-SSDOTTSWSA-N 1 0 249.274 1.491 20 5 BDBDRO CCC(N)=[NH+]OCc1onc(C)c1[N+](=O)[O-] ZINC000853656210 588752787 /nfs/dbraw/zinc/75/27/87/588752787.db2.gz KRPWZDWLLJDTTJ-UHFFFAOYSA-N 1 0 228.208 1.300 20 5 BDBDRO [NH2+]=C(NCCc1ccccc1[N+](=O)[O-])N1CCC1 ZINC000849009864 582823541 /nfs/dbraw/zinc/82/35/41/582823541.db2.gz CZPIJCYYAASBMQ-UHFFFAOYSA-N 1 0 248.286 1.367 20 5 BDBDRO Cc1c(C[NH2+]CCN2CCC2)cccc1[N+](=O)[O-] ZINC000829319242 582855309 /nfs/dbraw/zinc/85/53/09/582855309.db2.gz DDKHFSRECUAFSX-UHFFFAOYSA-N 1 0 249.314 1.699 20 5 BDBDRO C[NH+](C)C1(CNCC[N+](=O)[O-])CCCCC1 ZINC000899861356 584242841 /nfs/dbraw/zinc/24/28/41/584242841.db2.gz YRCJSCIBHBDEEC-UHFFFAOYSA-N 1 0 229.324 1.117 20 5 BDBDRO COc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1 ZINC000899856280 584243888 /nfs/dbraw/zinc/24/38/88/584243888.db2.gz QVZYSJCKMGHBOD-UHFFFAOYSA-N 1 0 224.260 1.104 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000903960250 584827648 /nfs/dbraw/zinc/82/76/48/584827648.db2.gz ATEJWPNKXPPAKK-VXNVDRBHSA-N 1 0 241.316 1.354 20 5 BDBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000744442076 585150362 /nfs/dbraw/zinc/15/03/62/585150362.db2.gz WHIZIGNYDZSCJH-ZJUUUORDSA-N 1 0 238.291 1.869 20 5 BDBDRO COc1ccccc1CN(C)CC[N+](=O)[O-] ZINC000791052741 585972878 /nfs/dbraw/zinc/97/28/78/585972878.db2.gz BHWPHDSKKJHBQE-UHFFFAOYSA-N 1 0 224.260 1.404 20 5 BDBDRO CS[C@H]1CCCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791055134 585973364 /nfs/dbraw/zinc/97/33/64/585973364.db2.gz PLLIZVIFXHBRGM-VIFPVBQESA-N 1 0 218.322 1.481 20 5 BDBDRO C[C@H](C[NH3+])c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823270698 587213119 /nfs/dbraw/zinc/21/31/19/587213119.db2.gz UPGWZDJCGZSMQI-RXMQYKEDSA-N 1 0 238.203 1.300 20 5 BDBDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000864452608 589365747 /nfs/dbraw/zinc/36/57/47/589365747.db2.gz ORXKEDAQLHZXNN-LDYMZIIASA-N 1 0 248.286 1.617 20 5 BDBDRO CC(C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876911077 590255898 /nfs/dbraw/zinc/25/58/98/590255898.db2.gz UMJYXTIFHSHEGV-UHFFFAOYSA-N 1 0 224.264 1.493 20 5 BDBDRO CN(Cc1cn[nH]c1)Cc1cccnc1[N+](=O)[O-] ZINC000886072592 592143458 /nfs/dbraw/zinc/14/34/58/592143458.db2.gz KEVCMZJLMRZSRZ-UHFFFAOYSA-N 1 0 247.258 1.345 20 5 BDBDRO O=[N+]([O-])c1ccc(OC[C@H]2CC[NH2+]C2)cc1F ZINC000051890775 631999785 /nfs/dbraw/zinc/99/97/85/631999785.db2.gz HQWAQUIUCTXKQO-QMMMGPOBSA-N 1 0 240.234 1.722 20 5 BDBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CC[N+](=O)[O-] ZINC000930692930 634038250 /nfs/dbraw/zinc/03/82/50/634038250.db2.gz OASNDPODACZNJJ-VHSXEESVSA-N 1 0 200.282 1.822 20 5 BDBDRO C[C@H](O)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000094653941 635381132 /nfs/dbraw/zinc/38/11/32/635381132.db2.gz LAWAOMKQWPKSBE-UWVGGRQHSA-N 1 0 238.287 1.496 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000899886171 637148184 /nfs/dbraw/zinc/14/81/84/637148184.db2.gz RQKKNZBNMWHGFP-JTQLQIEISA-N 1 0 210.277 1.528 20 5 BDBDRO NOCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000904457098 637419005 /nfs/dbraw/zinc/41/90/05/637419005.db2.gz NZDVHRPMOIJASQ-UHFFFAOYSA-N 1 0 243.238 1.104 20 5 BDBDRO Cc1cccc(C)c1OCC[NH2+]CC[N+](=O)[O-] ZINC000905047203 637563008 /nfs/dbraw/zinc/56/30/08/637563008.db2.gz TZBUQRCJCHQURN-UHFFFAOYSA-N 1 0 238.287 1.549 20 5 BDBDRO C[NH+](C)[C@@H](CNCC[N+](=O)[O-])C1CCCCC1 ZINC000905049013 637566373 /nfs/dbraw/zinc/56/63/73/637566373.db2.gz NPPSZKQPHPPBHT-LBPRGKRZSA-N 1 0 243.351 1.363 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCOc1ccccc1F ZINC000905029078 637578029 /nfs/dbraw/zinc/57/80/29/637578029.db2.gz YJNKFROTIVMASM-UHFFFAOYSA-N 1 0 242.250 1.461 20 5 BDBDRO Cc1ccc2c(CC[NH2+]CC[N+](=O)[O-])c[nH]c2c1 ZINC000905078020 637579254 /nfs/dbraw/zinc/57/92/54/637579254.db2.gz BNKMELCTMOMVTP-UHFFFAOYSA-N 1 0 247.298 1.885 20 5 BDBDRO CS[C@@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905132898 637644858 /nfs/dbraw/zinc/64/48/58/637644858.db2.gz BZQLRQXHKCPPGK-JGVFFNPUSA-N 1 0 204.295 1.137 20 5 BDBDRO Cc1nc(C)c(C[NH2+]CC[N+](=O)[O-])s1 ZINC000905136159 637647288 /nfs/dbraw/zinc/64/72/88/637647288.db2.gz LCMDGVOKWZAPOR-UHFFFAOYSA-N 1 0 215.278 1.126 20 5 BDBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]CC[N+](=O)[O-] ZINC000905180394 637663344 /nfs/dbraw/zinc/66/33/44/637663344.db2.gz PSZMGKMJLPUQKX-ZETCQYMHSA-N 1 0 227.264 1.261 20 5 BDBDRO CC(C)C[N@@H+]1CCC[C@@H](CNCC[N+](=O)[O-])C1 ZINC000905184785 637666728 /nfs/dbraw/zinc/66/67/28/637666728.db2.gz XQCREVBVGYVUMO-LBPRGKRZSA-N 1 0 243.351 1.221 20 5 BDBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905192632 637671328 /nfs/dbraw/zinc/67/13/28/637671328.db2.gz WKQOTBRIPQODCA-UWVGGRQHSA-N 1 0 230.308 1.446 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCSCC(F)(F)F ZINC000905193877 637671651 /nfs/dbraw/zinc/67/16/51/637671651.db2.gz GEJVDBZJBHWVPK-UHFFFAOYSA-N 1 0 232.227 1.148 20 5 BDBDRO COCC[C@H](Cc1ccco1)[NH2+]CC[N+](=O)[O-] ZINC000905204608 637696135 /nfs/dbraw/zinc/69/61/35/637696135.db2.gz QIOXAPNWZRXZOS-SNVBAGLBSA-N 1 0 242.275 1.094 20 5 BDBDRO CS[C@@H](C[NH2+]CC[N+](=O)[O-])C(C)(C)C ZINC000905205979 637696341 /nfs/dbraw/zinc/69/63/41/637696341.db2.gz WWNJYSFYCMUYHJ-QMMMGPOBSA-N 1 0 220.338 1.630 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000905215228 637699817 /nfs/dbraw/zinc/69/98/17/637699817.db2.gz LNKDITJMBDPIMK-UHFFFAOYSA-N 1 0 230.214 1.991 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000905286723 637740080 /nfs/dbraw/zinc/74/00/80/637740080.db2.gz RFJIOMGOQVTZRW-GHMZBOCLSA-N 1 0 212.293 1.679 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000905291061 637741228 /nfs/dbraw/zinc/74/12/28/637741228.db2.gz OGRDRPRDIBSQEZ-WDEREUQCSA-N 1 0 212.293 1.822 20 5 BDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccsc1 ZINC000930345351 639715859 /nfs/dbraw/zinc/71/58/59/639715859.db2.gz NJYFFGIGWYYMGX-SSDOTTSWSA-N 1 0 200.263 1.675 20 5 BDBDRO C[N@@H+]1CC[C@@H](NCC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000930356920 639729693 /nfs/dbraw/zinc/72/96/93/639729693.db2.gz LJBNILKZKVULEA-OLZOCXBDSA-N 1 0 249.314 1.298 20 5 BDBDRO CCOC1(C)CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930539187 639805670 /nfs/dbraw/zinc/80/56/70/639805670.db2.gz VZPWPDLYJWDACN-UHFFFAOYSA-N 1 0 216.281 1.154 20 5 BDBDRO CC1(C)[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000930627461 639830491 /nfs/dbraw/zinc/83/04/91/639830491.db2.gz IELDTIWGQNLSKP-AEJSXWLSSA-N 1 0 228.292 1.056 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000930663745 639852349 /nfs/dbraw/zinc/85/23/49/639852349.db2.gz MEAGHRCGNNKERX-SNVBAGLBSA-N 1 0 230.333 1.482 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931922906 640389973 /nfs/dbraw/zinc/38/99/73/640389973.db2.gz KYCPGWIASYQPSC-QWHCGFSZSA-N 1 0 232.283 1.537 20 5 BDBDRO CC(C)N(Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075666544 641767190 /nfs/dbraw/zinc/76/71/90/641767190.db2.gz GTTBCAVTCROLCA-UHFFFAOYSA-N 1 0 224.264 1.622 20 5 BDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)C[NH2+]1 ZINC000086471301 644466596 /nfs/dbraw/zinc/46/65/96/644466596.db2.gz XLDHWURQCDIMMW-IUCAKERBSA-N 1 0 236.275 1.176 20 5 BDBDRO O=C1C=C([NH2+]Nc2ccc([N+](=O)[O-])cc2)NC1 ZINC000747624782 644586033 /nfs/dbraw/zinc/58/60/33/644586033.db2.gz WBKMJFGYUXYYSF-UHFFFAOYSA-N 1 0 234.215 1.365 20 5 BDBDRO [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000093215865 644681792 /nfs/dbraw/zinc/68/17/92/644681792.db2.gz JKACJQIPAZOZPO-NWDGAFQWSA-N 1 0 249.314 1.954 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH3+])C2)c1 ZINC000094663269 644723388 /nfs/dbraw/zinc/72/33/88/644723388.db2.gz MBTFIUHSAXJJMM-SNVBAGLBSA-N 1 0 235.287 1.688 20 5 BDBDRO C[C@H]1CCC[C@@H]([N@H+](C)CC[N+](=O)[O-])C1 ZINC000929274027 646034408 /nfs/dbraw/zinc/03/44/08/646034408.db2.gz PQDOWASVIDJYDK-VHSXEESVSA-N 1 0 200.282 1.774 20 5 BDBDRO CC(C)([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000929499722 646152769 /nfs/dbraw/zinc/15/27/69/646152769.db2.gz LQDBLTFAKUBTFJ-UHFFFAOYSA-N 1 0 208.261 1.788 20 5 BDBDRO CC[C@@H]1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000929667469 646233404 /nfs/dbraw/zinc/23/34/04/646233404.db2.gz KPFFOTQWNCLZSE-SNVBAGLBSA-N 1 0 200.282 1.775 20 5 BDBDRO CCC[NH+]1CCC(N(C)CC[N+](=O)[O-])CC1 ZINC000929777218 646304725 /nfs/dbraw/zinc/30/47/25/646304725.db2.gz INVDTCWCVPPSNI-UHFFFAOYSA-N 1 0 229.324 1.069 20 5 BDBDRO CC1(C)[NH2+]CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000925595068 646351469 /nfs/dbraw/zinc/35/14/69/646351469.db2.gz QSWGQBQNQSTWHJ-GFCCVEGCSA-N 1 0 249.314 1.825 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC(C2CCOCC2)CC1 ZINC000930083707 646424684 /nfs/dbraw/zinc/42/46/84/646424684.db2.gz KSHHYJINVJUVOM-UHFFFAOYSA-N 1 0 242.319 1.402 20 5 BDBDRO C[C@H]1CC[N@H+](CC[N+](=O)[O-])CC12CCC2 ZINC000930170965 646471920 /nfs/dbraw/zinc/47/19/20/646471920.db2.gz KFFRRYMMWHBBGM-JTQLQIEISA-N 1 0 212.293 1.775 20 5 BDBDRO [NH3+]C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000050245481 711591150 /nfs/dbraw/zinc/59/11/50/711591150.db2.gz NKCBJTIRRSYDAV-QMMMGPOBSA-N 1 0 241.316 1.437 20 5 BDBDRO CC[N@@H+]1CC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000712593178 712435447 /nfs/dbraw/zinc/43/54/47/712435447.db2.gz CTOSKMXVBUOKPF-SECBINFHSA-N 1 0 236.275 1.496 20 5 BDBDRO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000715097419 712508533 /nfs/dbraw/zinc/50/85/33/712508533.db2.gz PABDBRIKSQGKDU-PSASIEDQSA-N 1 0 249.270 1.437 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OC(=O)c1ccccc1 ZINC000002032410 717093594 /nfs/dbraw/zinc/09/35/94/717093594.db2.gz PWKNQUFNEZUAJA-LLVKDONJSA-N 1 0 222.308 1.938 20 5 BDBDRO Cc1nc(NC/C=C/C[NH3+])ccc1[N+](=O)[O-] ZINC000164540301 957627497 /nfs/dbraw/zinc/62/74/97/957627497.db2.gz NSAXFXNRBPEIMG-NSCUHMNNSA-N 1 0 222.248 1.225 20 5 BDBDRO CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168963807 969315443 /nfs/dbraw/zinc/31/54/43/969315443.db2.gz PWSGUCHKVQQGHN-QJPTWQEYSA-N 1 0 244.335 1.428 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](O)CC2)C1 ZINC001168972648 969324257 /nfs/dbraw/zinc/32/42/57/969324257.db2.gz ANISGPZRLROULM-WYUUTHIRSA-N 1 0 242.319 1.325 20 5 BDBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001168996957 969326031 /nfs/dbraw/zinc/32/60/31/969326031.db2.gz AERRWHSONXKKJD-WRWGMCAJSA-N 1 0 242.319 1.589 20 5 BDBDRO COCC1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169007455 969333321 /nfs/dbraw/zinc/33/33/21/969333321.db2.gz NXGMZTPXBAQZOD-MWLCHTKSSA-N 1 0 228.292 1.010 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCCCn1cccc1 ZINC001209942280 969702188 /nfs/dbraw/zinc/70/21/88/969702188.db2.gz PXZOXGXVMQZZSZ-ZDUSSCGKSA-N 1 0 225.356 1.990 20 5 BDBDRO COc1cnc(F)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234274385 978809566 /nfs/dbraw/zinc/80/95/66/978809566.db2.gz ZCICBEWXZZHOSX-VIFPVBQESA-N 1 0 243.302 1.703 20 5 BDBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC001345019423 980524526 /nfs/dbraw/zinc/52/45/26/980524526.db2.gz RIOROXOXWUECJC-NXEZZACHSA-N 1 0 244.291 1.068 20 5 BDBDRO Cc1cc(CO[C@H](C)C[N+](C)(C)C)no1 ZINC001222978773 972763933 /nfs/dbraw/zinc/76/39/33/972763933.db2.gz XUGORIKYWGUAFS-SNVBAGLBSA-N 1 0 213.301 1.594 20 5 BDBDRO Cc1cncc(CO[C@@H](C)C[N+](C)(C)C)n1 ZINC001224032340 973417761 /nfs/dbraw/zinc/41/77/61/973417761.db2.gz KGYIXGICVVDUOE-NSHDSACASA-N 1 0 224.328 1.396 20 5 BDBDRO C[N+](C)(C)CCOC1CCC2(CC1)OCCO2 ZINC001224771419 973939064 /nfs/dbraw/zinc/93/90/64/973939064.db2.gz MDCREFCEXYYBGF-UHFFFAOYSA-N 1 0 244.355 1.395 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218035013 971579312 /nfs/dbraw/zinc/57/93/12/971579312.db2.gz AQPQJLHXQDLIAQ-RDDDGLTNSA-N 1 0 237.259 1.164 20 5 BDBDRO O=[N+]([O-])c1cccc2oc(O[C@H]3CC[NH2+]C3)nc21 ZINC001218179848 971612786 /nfs/dbraw/zinc/61/27/86/971612786.db2.gz PVMJMWZDSPIKSN-ZETCQYMHSA-N 1 0 249.226 1.477 20 5 BDBDRO O=[N+]([O-])c1c(Cl)ccnc1O[C@H]1CC[NH2+]C1 ZINC001218180217 971615431 /nfs/dbraw/zinc/61/54/31/971615431.db2.gz MZOUSCZOEOPYKQ-LURJTMIESA-N 1 0 243.650 1.384 20 5 BDBDRO Cc1cc(O[C@H]2C[NH2+][C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC001218382642 971760021 /nfs/dbraw/zinc/76/00/21/971760021.db2.gz DBRFNZVVZHAWSY-KOLCDFICSA-N 1 0 236.271 1.951 20 5 BDBDRO Cc1cc(O[C@@H]2C[NH2+][C@H]2C)cc(C)c1[N+](=O)[O-] ZINC001218382641 971760446 /nfs/dbraw/zinc/76/04/46/971760446.db2.gz DBRFNZVVZHAWSY-GXSJLCMTSA-N 1 0 236.271 1.951 20 5 BDBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1C[NH2+][C@@H]1C ZINC001218384440 971762997 /nfs/dbraw/zinc/76/29/97/971762997.db2.gz DFTSSBHZLXPPRC-SKDRFNHKSA-N 1 0 236.271 1.951 20 5 BDBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1C[NH2+][C@@H]1C ZINC001218391985 971769330 /nfs/dbraw/zinc/76/93/30/971769330.db2.gz NSWJOKKZXGRYRK-BXKDBHETSA-N 1 0 236.271 1.951 20 5 BDBDRO COc1ccnc(NCC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC001170887360 972037093 /nfs/dbraw/zinc/03/70/93/972037093.db2.gz VGSPOJQPTFHAFS-SSDOTTSWSA-N 1 0 240.263 1.148 20 5 BDBDRO COc1ccc([N+](=O)[O-])cc1-n1c[nH+]c(C)c1N ZINC001210445164 957751942 /nfs/dbraw/zinc/75/19/42/957751942.db2.gz ZGLOGWOGUASOJM-UHFFFAOYSA-N 1 0 248.242 1.680 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCc1ccccn1 ZINC001222153746 972398091 /nfs/dbraw/zinc/39/80/91/972398091.db2.gz YXOQEINXOHNVOG-NSHDSACASA-N 1 0 209.313 1.693 20 5 BDBDRO COC(C)(C)CO[C@H](C)C[N+](C)(C)C ZINC001222364355 972443626 /nfs/dbraw/zinc/44/36/26/972443626.db2.gz IOJMXDHJYRBGTE-SNVBAGLBSA-N 1 0 204.334 1.523 20 5 BDBDRO O=[N+]([O-])c1ccc(F)c(O[C@H]2CC[NH2+]C2)c1 ZINC001218177051 959883446 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963851464 /nfs/dbraw/zinc/85/14/64/963851464.db2.gz XHYATKOYAQYHQI-ZETCQYMHSA-N 1 0 233.231 1.195 20 5 BDBDRO CCOC(=O)/C=C/CO[C@@H](C)C[N+](C)(C)C ZINC001224344573 964558858 /nfs/dbraw/zinc/55/88/58/964558858.db2.gz HQYLKDJQXSFDJU-AEZGRPFRSA-N 1 0 230.328 1.217 20 5 BDBDRO C[NH+](C)CCNc1cnc(F)c([N+](=O)[O-])c1 ZINC001161670837 964676578 /nfs/dbraw/zinc/67/65/78/964676578.db2.gz AKIWRRQGKJBRAF-UHFFFAOYSA-N 1 0 228.227 1.102 20 5 BDBDRO C[NH+](C)CCNc1cccc2ncc([N+](=O)[O-])n21 ZINC001161672721 964677074 /nfs/dbraw/zinc/67/70/74/964677074.db2.gz DHMURWKWVVJQLP-UHFFFAOYSA-N 1 0 249.274 1.216 20 5 BDBDRO CCC[C@H](CC(=O)OC)OCCC[N+](C)(C)C ZINC001224623806 964814163 /nfs/dbraw/zinc/81/41/63/964814163.db2.gz QUAWZDACPARTKZ-GFCCVEGCSA-N 1 0 246.371 1.831 20 5 BDBDRO Cc1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000042545695 964825663 /nfs/dbraw/zinc/82/56/63/964825663.db2.gz HJMSOFNXZSTDMJ-GFCCVEGCSA-N 1 0 249.314 1.697 20 5 BDBDRO C[N+](C)(C)CCOC[C@H]1CCC=CO1 ZINC001224771891 964935265 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244.335 1.838 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CC3(COC3)C2)C1 ZINC001168976016 969296227 /nfs/dbraw/zinc/29/62/27/969296227.db2.gz YGVIKDDQCASLQC-VHSXEESVSA-N 1 0 240.303 1.200 20 5 BDBDRO CCC[C@H](CO)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976500 969296251 /nfs/dbraw/zinc/29/62/51/969296251.db2.gz DEJGCYDPCSGEKY-HBNTYKKESA-N 1 0 230.308 1.182 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H](O)C2)C1 ZINC001168977996 969299362 /nfs/dbraw/zinc/29/93/62/969299362.db2.gz NMWONDCBTBOAMT-WRWGMCAJSA-N 1 0 242.319 1.325 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC001168956378 969304777 /nfs/dbraw/zinc/30/47/77/969304777.db2.gz DWUVXMOPWOOTHS-QWHCGFSZSA-N 1 0 249.314 1.659 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccn2)C1 ZINC001168958362 969306229 /nfs/dbraw/zinc/30/62/29/969306229.db2.gz NDTWXNKJJMXPOW-QWRGUYRKSA-N 1 0 235.287 1.617 20 5 BDBDRO COCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957795 969306927 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O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccnnc2)C1 ZINC001168967910 969320408 /nfs/dbraw/zinc/32/04/08/969320408.db2.gz UMTOTDVNANPPPC-ONGXEEELSA-N 1 0 236.275 1.012 20 5 BDBDRO CN1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967165 969321421 /nfs/dbraw/zinc/32/14/21/969321421.db2.gz NUGBVICSUYFHQT-UTUOFQBUSA-N 1 0 241.335 1.116 20 5 BDBDRO Cc1cc(C[NH3+])nn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968225 969321708 /nfs/dbraw/zinc/32/17/08/969321708.db2.gz XOMBVGYOPXKZAW-GXSJLCMTSA-N 1 0 238.291 1.268 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001168974932 969324929 /nfs/dbraw/zinc/32/49/29/969324929.db2.gz SYXIZGMFAHSKOU-WDEREUQCSA-N 1 0 212.293 1.822 20 5 BDBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001168996956 969326855 /nfs/dbraw/zinc/32/68/55/969326855.db2.gz AERRWHSONXKKJD-WISYIIOYSA-N 1 0 242.319 1.589 20 5 BDBDRO CC(C)[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005658 969330100 /nfs/dbraw/zinc/33/01/00/969330100.db2.gz 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O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@H](O)C2)C1 ZINC001169010285 969339886 /nfs/dbraw/zinc/33/98/86/969339886.db2.gz CEGTXZBVNKVKDJ-WOPDTQHZSA-N 1 0 242.319 1.279 20 5 BDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986929 969341504 /nfs/dbraw/zinc/34/15/04/969341504.db2.gz GFPCIBTUCPUYOT-VPOLOUISSA-N 1 0 242.319 1.181 20 5 BDBDRO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CO1 ZINC001168988350 969343700 /nfs/dbraw/zinc/34/37/00/969343700.db2.gz REPSOEMTVHDRJG-AXFHLTTASA-N 1 0 242.319 1.589 20 5 BDBDRO CC[C@H](COC)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168989815 969344415 /nfs/dbraw/zinc/34/44/15/969344415.db2.gz WUJQICXNALGHNY-MXWKQRLJSA-N 1 0 230.308 1.446 20 5 BDBDRO CCC(=O)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990220 969345576 /nfs/dbraw/zinc/34/55/76/969345576.db2.gz YKLBGJFBEZIJAI-DTWKUNHWSA-N 1 0 214.265 1.001 20 5 BDBDRO Cc1cnc(C[NH3+])n1-c1cc([N+](=O)[O-])c(C)cn1 ZINC001169029444 969349418 /nfs/dbraw/zinc/34/94/18/969349418.db2.gz PTIMDNWQNHKLBM-UHFFFAOYSA-N 1 0 247.258 1.251 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@@H](F)C2)C1 ZINC001169023893 969366205 /nfs/dbraw/zinc/36/62/05/969366205.db2.gz GHSQPLIEQBPOJT-AEJSXWLSSA-N 1 0 216.256 1.476 20 5 BDBDRO CCO[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047884 969367079 /nfs/dbraw/zinc/36/70/79/969367079.db2.gz SFNADFBKQBBIGB-SDDRHHMPSA-N 1 0 242.319 1.543 20 5 BDBDRO C[N@H+](CCF)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056946 969370669 /nfs/dbraw/zinc/37/06/69/969370669.db2.gz UJICLEBUUMMSCY-BDAKNGLRSA-N 1 0 204.245 1.333 20 5 BDBDRO Cc1cc(-n2ccc([C@H](C)[NH3+])n2)ncc1[N+](=O)[O-] ZINC001169231388 969507198 /nfs/dbraw/zinc/50/71/98/969507198.db2.gz IQWACFNVOATJTB-QMMMGPOBSA-N 1 0 247.258 1.504 20 5 BDBDRO Cc1cnc(-n2ccc([C@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC001169232399 969511259 /nfs/dbraw/zinc/51/12/59/969511259.db2.gz DZKWITONDXIXFB-QMMMGPOBSA-N 1 0 247.258 1.504 20 5 BDBDRO [NH3+]CCON=c1ccc2ccc([N+](=O)[O-])cc2[nH]1 ZINC001156292012 969568575 /nfs/dbraw/zinc/56/85/75/969568575.db2.gz ZHLONCSBKDBSIY-UHFFFAOYSA-N 1 0 248.242 1.445 20 5 BDBDRO Nc1ccc(Nc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC001209932636 969696226 /nfs/dbraw/zinc/69/62/26/969696226.db2.gz PZSBNQKFLADKPI-UHFFFAOYSA-N 1 0 230.227 1.738 20 5 BDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH3+])C1 ZINC001254535786 969736480 /nfs/dbraw/zinc/73/64/80/969736480.db2.gz KXTKHOPKAAEVSZ-JQWIXIFHSA-N 1 0 249.314 1.559 20 5 BDBDRO CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568438 969741650 /nfs/dbraw/zinc/74/16/50/969741650.db2.gz UJKREHNGPPNKQC-SNVBAGLBSA-N 1 0 206.245 1.672 20 5 BDBDRO C[C@H](O)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568902 969742035 /nfs/dbraw/zinc/74/20/35/969742035.db2.gz WAYSHTRFDJBTAX-GZMMTYOYSA-N 1 0 236.271 1.032 20 5 BDBDRO CN(C1COC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600986 969744448 /nfs/dbraw/zinc/74/44/48/969744448.db2.gz UELGNWOIXQIUIC-LBPRGKRZSA-N 1 0 248.282 1.393 20 5 BDBDRO [NH3+]Cc1ccn(-c2cnc(F)c([N+](=O)[O-])c2)c1 ZINC001169726162 969820143 /nfs/dbraw/zinc/82/01/43/969820143.db2.gz USLHIZYGPJRDKK-UHFFFAOYSA-N 1 0 236.206 1.378 20 5 BDBDRO C[NH2+]CCNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001156892202 970026685 /nfs/dbraw/zinc/02/66/85/970026685.db2.gz PVVLWIWFNBWYMC-UHFFFAOYSA-N 1 0 246.270 1.774 20 5 BDBDRO C=CC(=O)OC[C@@H](C)OCCC[N+](C)(C)C ZINC001224621751 973804435 /nfs/dbraw/zinc/80/44/35/973804435.db2.gz CUBHEKSOGOPHEC-LLVKDONJSA-N 1 0 230.328 1.217 20 5 BDBDRO C[N+](C)(C)CCCOC1CCOCC1 ZINC001224620461 973802614 /nfs/dbraw/zinc/80/26/14/973802614.db2.gz YUFRZSOPCPYKNK-UHFFFAOYSA-N 1 0 202.318 1.278 20 5 BDBDRO COC[C@@H](C)OC[C@@H](C)OCCC[N+](C)(C)C ZINC001224621199 973802665 /nfs/dbraw/zinc/80/26/65/973802665.db2.gz MVQFAYORAVBGRT-CHWSQXEVSA-N 1 0 248.387 1.539 20 5 BDBDRO C[N+](C)(C)CCO[C@H]1CCCC[C@H]1F ZINC001224775513 973944053 /nfs/dbraw/zinc/94/40/53/973944053.db2.gz LWNJANDDNAISOA-MNOVXSKESA-N 1 0 204.309 1.990 20 5 BDBDRO C[C@@H]1C[C@H](OCC[N+](C)(C)C)CCO1 ZINC001224776538 973944289 /nfs/dbraw/zinc/94/42/89/973944289.db2.gz XPJWQONMXURSPG-GHMZBOCLSA-N 1 0 202.318 1.277 20 5 BDBDRO Cc1ccnc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001225351404 974432762 /nfs/dbraw/zinc/43/27/62/974432762.db2.gz FSRQMHKQKDKVEO-LLVKDONJSA-N 1 0 209.313 1.864 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)cc(O)c1 ZINC001225366059 974449040 /nfs/dbraw/zinc/44/90/40/974449040.db2.gz SCKKWSWGHZBPIW-SECBINFHSA-O 1 0 226.296 1.571 20 5 BDBDRO C[N@@H+]1CC[C@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225591344 974579424 /nfs/dbraw/zinc/57/94/24/974579424.db2.gz XBIVUZDJGZHDDZ-QMMMGPOBSA-N 1 0 223.232 1.073 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2[nH]ccc2c1 ZINC001226087462 974781957 /nfs/dbraw/zinc/78/19/57/974781957.db2.gz ALAKOACDCSJVQH-SNVBAGLBSA-N 1 0 234.323 1.988 20 5 BDBDRO C[C@H](C[NH+](C)C)Oc1ccccc1[N+](=O)[O-] ZINC001227481656 975464122 /nfs/dbraw/zinc/46/41/22/975464122.db2.gz XOJCNOZJWYBDRJ-SECBINFHSA-N 1 0 224.260 1.924 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cn2ccccc2n1 ZINC001227949265 975811119 /nfs/dbraw/zinc/81/11/19/975811119.db2.gz NXWIVGVVTMSVBW-LLVKDONJSA-N 1 0 234.323 1.808 20 5 BDBDRO O=[N+]([O-])c1cncc(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001227988835 975833426 /nfs/dbraw/zinc/83/34/26/975833426.db2.gz YMVCHKYJDPMDBD-LBPRGKRZSA-N 1 0 249.270 1.463 20 5 BDBDRO CCc1cc(O[C@@H](C)C[N+](C)(C)C)ncn1 ZINC001228294199 976076973 /nfs/dbraw/zinc/07/69/73/976076973.db2.gz RSTIOZIYOJLSNZ-JTQLQIEISA-N 1 0 224.328 1.513 20 5 BDBDRO CS[C@H]1CC[C@H]([N@H+](C)CC[N+](=O)[O-])C1 ZINC001333832387 976112744 /nfs/dbraw/zinc/11/27/44/976112744.db2.gz GIXFVQASLRNLMC-IUCAKERBSA-N 1 0 218.322 1.479 20 5 BDBDRO COc1cc(O[C@@H](C)C[N+](C)(C)C)cnc1F ZINC001228520602 976272980 /nfs/dbraw/zinc/27/29/80/976272980.db2.gz DBGUUEOQFGXOIY-VIFPVBQESA-N 1 0 243.302 1.703 20 5 BDBDRO Cc1cncc([N+](=O)[O-])c1NCCC[NH+](C)C ZINC001336431335 977682424 /nfs/dbraw/zinc/68/24/24/977682424.db2.gz HTLVHDTURMGPMY-UHFFFAOYSA-N 1 0 238.291 1.084 20 5 BDBDRO Cc1cc(F)ccc1C[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC001336794589 977966837 /nfs/dbraw/zinc/96/68/37/977966837.db2.gz KVDFGLREYDYLKX-JTQLQIEISA-N 1 0 240.278 1.931 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001176927327 978245907 /nfs/dbraw/zinc/24/59/07/978245907.db2.gz QWCJKAUPVIVDBR-MNOVXSKESA-N 1 0 228.292 1.297 20 5 BDBDRO C[N@@H+]1CCC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233857999 978714820 /nfs/dbraw/zinc/71/48/20/978714820.db2.gz QPEKAZWJMCTYDP-SNVBAGLBSA-N 1 0 237.259 1.463 20 5 BDBDRO Cc1nccc([N+](=O)[O-])c1O[C@@H](C)C[NH+](C)C ZINC001234901932 978927933 /nfs/dbraw/zinc/92/79/33/978927933.db2.gz ULCHXRGKDPFEGN-QMMMGPOBSA-N 1 0 239.275 1.627 20 5 BDBDRO Cc1[nH+]cn(-c2ccc([N+](=O)[O-])nc2)c1N ZINC001203568950 979830994 /nfs/dbraw/zinc/83/09/94/979830994.db2.gz KWJJUCQOMIXWBW-UHFFFAOYSA-N 1 0 219.204 1.066 20 5 BDBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001342843053 979912675 /nfs/dbraw/zinc/91/26/75/979912675.db2.gz MLVOXOAIODYCRX-MGCOHNPYSA-N 1 0 249.270 1.123 20 5 BDBDRO CN(CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[NH2+]1 ZINC001578478354 985113149 /nfs/dbraw/zinc/11/31/49/985113149.db2.gz DFSAXYXFTURZQI-GFCCVEGCSA-N 1 0 249.314 1.431 20 5 BDBDRO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001460114740 985750198 /nfs/dbraw/zinc/75/01/98/985750198.db2.gz XLZZWVWXHWQAIV-CABZTGNLSA-N 1 0 236.271 1.550 20 5 BDBDRO C[C@@H]1C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H](C)N1 ZINC001246970153 988801433 /nfs/dbraw/zinc/80/14/33/988801433.db2.gz SKGXAQVBZLOTLN-WISYIIOYSA-N 1 0 241.335 1.114 20 5 BDBDRO C[NH2+][C@@H](C)CCNCc1csc([N+](=O)[O-])c1 ZINC001326077104 989362680 /nfs/dbraw/zinc/36/26/80/989362680.db2.gz VGORZUYEWLWCOO-QMMMGPOBSA-N 1 0 243.332 1.744 20 5 BDBDRO C[C@@H]1CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](C)C1 ZINC001120354448 989632660 /nfs/dbraw/zinc/63/26/60/989632660.db2.gz FSLZCYUWKARATI-OPRDCNLKSA-N 1 0 200.282 1.677 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001120590240 989762124 /nfs/dbraw/zinc/76/21/24/989762124.db2.gz KGTOSZPWYASHDX-VXGBXAGGSA-N 1 0 220.272 1.656 20 5 BDBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001524173432 989981659 /nfs/dbraw/zinc/98/16/59/989981659.db2.gz JKIMAIVZILXJOH-MGCOHNPYSA-N 1 0 249.270 1.123 20 5 BDBDRO O=[N+]([O-])CC[N@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001560065048 991373222 /nfs/dbraw/zinc/37/32/22/991373222.db2.gz CCDYQYAXZZMFQR-MCIONIFRSA-N 1 0 246.310 1.999 20 5 BDBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])C1(O)CCCC1 ZINC001262571142 992928593 /nfs/dbraw/zinc/92/85/93/992928593.db2.gz NHVJFHFDQYASEK-UHFFFAOYSA-N 1 0 230.308 1.184 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC001262571019 992928708 /nfs/dbraw/zinc/92/87/08/992928708.db2.gz KPRIDSRHKTXNIT-GHMZBOCLSA-N 1 0 228.292 1.058 20 5 BDBDRO [NH3+]C[C@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001263252473 993189496 /nfs/dbraw/zinc/18/94/96/993189496.db2.gz SNOOOMBAUFBIAG-KYZUINATSA-N 1 0 249.270 1.062 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)O ZINC000183478273 178271651 /nfs/dbraw/zinc/27/16/51/178271651.db2.gz AXUGDDQFZFEQPS-UHFFFAOYSA-N 1 0 238.287 1.764 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[NH2+]C1 ZINC000052093680 178272883 /nfs/dbraw/zinc/27/28/83/178272883.db2.gz ZYEZLCCQAWUYQK-SECBINFHSA-N 1 0 221.260 1.677 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[NH2+]1 ZINC000053255452 178273711 /nfs/dbraw/zinc/27/37/11/178273711.db2.gz ACTREMMTJKVIQZ-VIFPVBQESA-N 1 0 236.275 1.462 20 5 BDBDRO O=[N+]([O-])c1ncccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000134403318 342826052 /nfs/dbraw/zinc/82/60/52/342826052.db2.gz OEUMIQWYPWWFFZ-VIFPVBQESA-N 1 0 248.286 1.638 20 5 BDBDRO CC1(C)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174880122 362002897 /nfs/dbraw/zinc/00/28/97/362002897.db2.gz NKLGJVVOXDPANN-UHFFFAOYSA-N 1 0 238.291 1.523 20 5 BDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC1(C)C ZINC000489414751 398311945 /nfs/dbraw/zinc/31/19/45/398311945.db2.gz OUSSXEKDKCUURH-SECBINFHSA-N 1 0 238.291 1.522 20 5 BDBDRO CCC[N@H+](CC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602769030 349724003 /nfs/dbraw/zinc/72/40/03/349724003.db2.gz LSOFZSQQVKXGEO-UHFFFAOYSA-N 1 0 240.307 1.832 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)[C@@H]1C ZINC000602832746 349768580 /nfs/dbraw/zinc/76/85/80/349768580.db2.gz QVGZMLDWWLPOEQ-BDAKNGLRSA-N 1 0 238.291 1.440 20 5 BDBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000038088054 343942422 /nfs/dbraw/zinc/94/24/22/343942422.db2.gz OWCFEJOSWZDZNU-SNVBAGLBSA-N 1 0 237.303 1.635 20 5 BDBDRO C[C@@H](CNCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000038088055 343942448 /nfs/dbraw/zinc/94/24/48/343942448.db2.gz NRQNILHDCKPZOL-JTQLQIEISA-N 1 0 237.303 1.635 20 5 BDBDRO Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000300049628 344380508 /nfs/dbraw/zinc/38/05/08/344380508.db2.gz TVZOBMNYPZBMIO-MWLCHTKSSA-N 1 0 235.287 1.687 20 5 BDBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000092950968 344485666 /nfs/dbraw/zinc/48/56/66/344485666.db2.gz HYLWILKCLKOUJC-LDYMZIIASA-N 1 0 249.270 1.531 20 5 BDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000381622266 344526642 /nfs/dbraw/zinc/52/66/42/344526642.db2.gz SKXBPIYQFNEMPP-RITPCOANSA-N 1 0 243.288 1.122 20 5 BDBDRO C[N@@H+]1CCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000221254847 344711859 /nfs/dbraw/zinc/71/18/59/344711859.db2.gz DPWMMDGQVPCLOY-SECBINFHSA-N 1 0 236.275 1.496 20 5 BDBDRO [NH3+]C1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000148228953 345352712 /nfs/dbraw/zinc/35/27/12/345352712.db2.gz CVLMBNJRCYLSIG-UHFFFAOYSA-N 1 0 249.270 1.092 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107574282 345538156 /nfs/dbraw/zinc/53/81/56/345538156.db2.gz UKZDACONHWNZAW-VXGBXAGGSA-N 1 0 247.298 1.246 20 5 BDBDRO O=[N+]([O-])c1ccccc1CNC[C@H]1CCCC[NH2+]1 ZINC000236411084 346237526 /nfs/dbraw/zinc/23/75/26/346237526.db2.gz DGHOBCRYWZCDEF-GFCCVEGCSA-N 1 0 249.314 1.827 20 5 BDBDRO Cc1cccc(N2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000235924311 179121771 /nfs/dbraw/zinc/12/17/71/179121771.db2.gz RLTYPIYZGYUWIQ-UHFFFAOYSA-N 1 0 235.287 1.703 20 5 BDBDRO Cc1c(C[NH2+]Cc2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000616483560 347223121 /nfs/dbraw/zinc/22/31/21/347223121.db2.gz KNJRSFQMPNWQIA-UHFFFAOYSA-N 1 0 246.270 1.916 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH3+])C1 ZINC000125755683 179207003 /nfs/dbraw/zinc/20/70/03/179207003.db2.gz FDRVAFSKYCQZGD-SECBINFHSA-N 1 0 221.260 1.441 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)nc1 ZINC000591439888 347661712 /nfs/dbraw/zinc/66/17/12/347661712.db2.gz ZUXMMYWOSMHTFS-KOLCDFICSA-N 1 0 248.286 1.178 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)cn1 ZINC000591437429 347660412 /nfs/dbraw/zinc/66/04/12/347660412.db2.gz HGXSBTYFNQZGTP-ONGXEEELSA-N 1 0 248.286 1.178 20 5 BDBDRO [NH3+]CCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000592170149 347747165 /nfs/dbraw/zinc/74/71/65/347747165.db2.gz HKSRMRYAKBTYHG-UHFFFAOYSA-N 1 0 210.237 1.018 20 5 BDBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[NH2+]C1 ZINC000592477208 347791482 /nfs/dbraw/zinc/79/14/82/347791482.db2.gz SMJFHDHVORWBDG-LLVKDONJSA-N 1 0 249.314 1.636 20 5 BDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000595807493 348348783 /nfs/dbraw/zinc/34/87/83/348348783.db2.gz JHZRQYHUGWQAGI-UWVGGRQHSA-N 1 0 236.275 1.133 20 5 BDBDRO [NH3+]CC12CC(C1)CN2Cc1ccccc1[N+](=O)[O-] ZINC000595908491 348397924 /nfs/dbraw/zinc/39/79/24/348397924.db2.gz IOZFJIPUHMDYNV-UHFFFAOYSA-N 1 0 247.298 1.518 20 5 BDBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H](C)[NH3+] ZINC000596012749 348429464 /nfs/dbraw/zinc/42/94/64/348429464.db2.gz ADRAPKXMCUTFPZ-SSDOTTSWSA-N 1 0 225.248 1.363 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCCF)cc1 ZINC000596058604 348435534 /nfs/dbraw/zinc/43/55/34/348435534.db2.gz NBNSSTWLYATBMO-UHFFFAOYSA-N 1 0 242.250 1.671 20 5 BDBDRO C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596077295 348438853 /nfs/dbraw/zinc/43/88/53/348438853.db2.gz UOIJOIUHUPDVPT-SSDOTTSWSA-N 1 0 240.263 1.057 20 5 BDBDRO Cc1noc(CSCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596024916 348424600 /nfs/dbraw/zinc/42/46/00/348424600.db2.gz SLNJGSDTXWJQGI-UHFFFAOYSA-N 1 0 245.304 1.686 20 5 BDBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000599015805 349082139 /nfs/dbraw/zinc/08/21/39/349082139.db2.gz PNTDLQUQOSWTST-XYPYZODXSA-N 1 0 236.271 1.862 20 5 BDBDRO C[C@H]([NH2+]CC1COC1)c1cccc([N+](=O)[O-])c1 ZINC000599084956 349089650 /nfs/dbraw/zinc/08/96/50/349089650.db2.gz GVFDRSKRPYBDTC-VIFPVBQESA-N 1 0 236.271 1.892 20 5 BDBDRO O=[N+]([O-])c1ccn(CC[NH+](C2CC2)C2CC2)n1 ZINC000599597838 349223786 /nfs/dbraw/zinc/22/37/86/349223786.db2.gz ABWDFRCXVREQSL-UHFFFAOYSA-N 1 0 236.275 1.418 20 5 BDBDRO Cc1nc(N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000169015540 180022696 /nfs/dbraw/zinc/02/26/96/180022696.db2.gz KTSCLTQEGDXILA-QMMMGPOBSA-N 1 0 238.291 1.660 20 5 BDBDRO C[NH+](C)CCNc1ccsc1[N+](=O)[O-] ZINC000033901263 350249886 /nfs/dbraw/zinc/24/98/86/350249886.db2.gz AFRONXIZVBQQHP-UHFFFAOYSA-N 1 0 215.278 1.630 20 5 BDBDRO CC(C)(C[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000063020449 350585126 /nfs/dbraw/zinc/58/51/26/350585126.db2.gz FKIVEZNEXKAXRZ-UHFFFAOYSA-N 1 0 237.259 1.062 20 5 BDBDRO C[C@H](O)[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000386852872 363053004 /nfs/dbraw/zinc/05/30/04/363053004.db2.gz DBYZRLCBJBDSFB-UWVGGRQHSA-N 1 0 238.287 1.496 20 5 BDBDRO C[NH2+][C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000123157947 188577028 /nfs/dbraw/zinc/57/70/28/188577028.db2.gz JEDOHWDYMXOIBQ-GFCCVEGCSA-N 1 0 249.314 1.431 20 5 BDBDRO CC[C@H](C)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539005 363382622 /nfs/dbraw/zinc/38/26/22/363382622.db2.gz XMEUXGAMUKVEOE-VHSXEESVSA-N 1 0 240.307 1.816 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCC[NH3+] ZINC000123339687 355362456 /nfs/dbraw/zinc/36/24/56/355362456.db2.gz ZLQTYHNDJDHTGO-JTQLQIEISA-N 1 0 237.303 1.936 20 5 BDBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000035149285 355852902 /nfs/dbraw/zinc/85/29/02/355852902.db2.gz BDYUBJBRMAUCNX-JGVFFNPUSA-N 1 0 237.259 1.119 20 5 BDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCCC[NH3+])n1 ZINC000420233454 192181857 /nfs/dbraw/zinc/18/18/57/192181857.db2.gz MQNYULZDMFUKGZ-UHFFFAOYSA-N 1 0 238.291 1.757 20 5 BDBDRO CC1(C)C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000088138188 356530882 /nfs/dbraw/zinc/53/08/82/356530882.db2.gz GUJGZTICRUILLQ-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(N)=O ZINC000618619968 357225246 /nfs/dbraw/zinc/22/52/46/357225246.db2.gz ILTWANFDHYESHT-XTULLQBASA-N 1 0 249.270 1.071 20 5 BDBDRO C[NH2+]CCCOc1cccc([N+](=O)[O-])c1C ZINC000035283323 357973604 /nfs/dbraw/zinc/97/36/04/357973604.db2.gz DEZWFUHIUHXGKZ-UHFFFAOYSA-N 1 0 224.260 1.892 20 5 BDBDRO C[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035602260 358002526 /nfs/dbraw/zinc/00/25/26/358002526.db2.gz CALNQSQJIUGOOX-RKDXNWHRSA-N 1 0 224.260 1.626 20 5 BDBDRO COCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677726 358087900 /nfs/dbraw/zinc/08/79/00/358087900.db2.gz FGJUYDDLZKWBHU-UHFFFAOYSA-N 1 0 238.287 1.763 20 5 BDBDRO C[C@H]1CC[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000389751686 358436375 /nfs/dbraw/zinc/43/63/75/358436375.db2.gz LRBJJHFFFRMDIN-NKWVEPMBSA-N 1 0 242.304 1.461 20 5 BDBDRO C[C@@H](CC(N)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000160802330 358709646 /nfs/dbraw/zinc/70/96/46/358709646.db2.gz FYRZXIALDZNAHS-LURJTMIESA-N 1 0 243.288 1.010 20 5 BDBDRO CC(C)([NH3+])CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000122263973 200689414 /nfs/dbraw/zinc/68/94/14/200689414.db2.gz UMGTVYLYGRWCQN-UHFFFAOYSA-N 1 0 237.259 1.062 20 5 BDBDRO C[C@H]([NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000429814805 201133233 /nfs/dbraw/zinc/13/32/33/201133233.db2.gz WZQOSTALVKDRKF-QMMMGPOBSA-N 1 0 249.270 1.221 20 5 BDBDRO O=C(C[NH2+]C1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000037386722 363839136 /nfs/dbraw/zinc/83/91/36/363839136.db2.gz PRFVAHZVJJLQSX-UHFFFAOYSA-N 1 0 235.243 1.285 20 5 BDBDRO [NH3+]C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000087383499 181420987 /nfs/dbraw/zinc/42/09/87/181420987.db2.gz YGOJIHNKDQFKGQ-SNVBAGLBSA-N 1 0 249.270 1.062 20 5 BDBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](O)C1 ZINC000113503683 370416334 /nfs/dbraw/zinc/41/63/34/370416334.db2.gz NJKUTBSGYBCPKV-QMMMGPOBSA-N 1 0 240.234 1.301 20 5 BDBDRO O=[N+]([O-])c1cccc(Cl)c1OCC1C[NH2+]C1 ZINC000304457119 371791379 /nfs/dbraw/zinc/79/13/79/371791379.db2.gz LMBNVXIJMGEUKA-UHFFFAOYSA-N 1 0 242.662 1.846 20 5 BDBDRO O=[N+]([O-])c1cc(CN2C[C@@H]3C[C@H]2C[NH2+]3)cs1 ZINC000601326378 371747830 /nfs/dbraw/zinc/74/78/30/371747830.db2.gz BPYGQSASICPEBG-IUCAKERBSA-N 1 0 239.300 1.202 20 5 BDBDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1csc([N+](=O)[O-])c1 ZINC000601330860 371750450 /nfs/dbraw/zinc/75/04/50/371750450.db2.gz YUMJDMMMRPXIOO-APPZFPTMSA-N 1 0 241.316 1.578 20 5 BDBDRO CC[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602449225 371805074 /nfs/dbraw/zinc/80/50/74/371805074.db2.gz PAJZSRGGZXZSQZ-SNVBAGLBSA-N 1 0 238.291 1.703 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)[C@H]1C ZINC000602832747 371846271 /nfs/dbraw/zinc/84/62/71/371846271.db2.gz QVGZMLDWWLPOEQ-DTWKUNHWSA-N 1 0 238.291 1.440 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1C ZINC000602780156 371839203 /nfs/dbraw/zinc/83/92/03/371839203.db2.gz FJPCWAHDPDCZNS-VIFPVBQESA-N 1 0 238.291 1.584 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC=CCC1 ZINC000602803192 371842487 /nfs/dbraw/zinc/84/24/87/371842487.db2.gz YZAHWZQXJHNZAP-UHFFFAOYSA-N 1 0 236.275 1.362 20 5 BDBDRO C[C@@H](C[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000111302867 383850167 /nfs/dbraw/zinc/85/01/67/383850167.db2.gz ULXKPXDSGZHXQE-UCUJLANTSA-N 1 0 249.270 1.071 20 5 BDBDRO C[C@@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000096811754 383942176 /nfs/dbraw/zinc/94/21/76/383942176.db2.gz DICYFSJERUWRQZ-VIFPVBQESA-N 1 0 224.260 1.455 20 5 BDBDRO C[C@@H](CCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000096811328 383942235 /nfs/dbraw/zinc/94/22/35/383942235.db2.gz NOJHKZZTOPFTRE-ZETCQYMHSA-N 1 0 230.289 1.517 20 5 BDBDRO C[NH+](C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000090998429 384089025 /nfs/dbraw/zinc/08/90/25/384089025.db2.gz ZLQCYWUBZNFKSU-UHFFFAOYSA-N 1 0 245.229 1.847 20 5 BDBDRO Cc1nn(C[C@@H]2CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000187651108 384069875 /nfs/dbraw/zinc/06/98/75/384069875.db2.gz GODXKSNYOVGZFL-SNVBAGLBSA-N 1 0 238.291 1.360 20 5 BDBDRO C[NH2+][C@@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000234470464 384186303 /nfs/dbraw/zinc/18/63/03/384186303.db2.gz HFCMNCDEBKGZLN-SNVBAGLBSA-N 1 0 235.287 1.701 20 5 BDBDRO CC(C)[C@@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000134695357 384388571 /nfs/dbraw/zinc/38/85/71/384388571.db2.gz KNHBYWUNTNICQJ-LBPRGKRZSA-N 1 0 238.287 1.701 20 5 BDBDRO [NH3+]C[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000123377357 384672809 /nfs/dbraw/zinc/67/28/09/384672809.db2.gz AEOBAESQUMOEKR-GFCCVEGCSA-N 1 0 235.287 1.518 20 5 BDBDRO [NH3+]C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044527726 384773055 /nfs/dbraw/zinc/77/30/55/384773055.db2.gz ZDXSVOJYKOJVPC-GFCCVEGCSA-N 1 0 249.314 1.766 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000071300364 384803111 /nfs/dbraw/zinc/80/31/11/384803111.db2.gz PRPITFSWVXVKTR-GFCCVEGCSA-N 1 0 236.271 1.455 20 5 BDBDRO C[NH2+][C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000116942541 385050192 /nfs/dbraw/zinc/05/01/92/385050192.db2.gz OETUULZMDWPDNQ-SECBINFHSA-N 1 0 239.250 1.532 20 5 BDBDRO O=[N+]([O-])c1cc(F)c(N[C@H]2CC[NH2+]C2)c(F)c1 ZINC000236210535 385073551 /nfs/dbraw/zinc/07/35/51/385073551.db2.gz RQOKWOYGPCHVGL-LURJTMIESA-N 1 0 243.213 1.647 20 5 BDBDRO C[N@H+](CCCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000263991308 385191323 /nfs/dbraw/zinc/19/13/23/385191323.db2.gz JZYYIOYBZSNJAU-UHFFFAOYSA-N 1 0 238.287 1.799 20 5 BDBDRO C[N@H+](CCO)CCc1ccccc1[N+](=O)[O-] ZINC000062727282 385149260 /nfs/dbraw/zinc/14/92/60/385149260.db2.gz ZIKGJKYEZAUFSO-UHFFFAOYSA-N 1 0 224.260 1.061 20 5 BDBDRO C[C@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000063170564 385214566 /nfs/dbraw/zinc/21/45/66/385214566.db2.gz HYEPXBMZWNYTSC-LURJTMIESA-N 1 0 243.288 1.123 20 5 BDBDRO C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+](C)C ZINC000288168782 385272351 /nfs/dbraw/zinc/27/23/51/385272351.db2.gz AJAZAEHONZTSQW-MRVPVSSYSA-N 1 0 238.291 1.539 20 5 BDBDRO CC[C@H]([NH3+])CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149428118 385558863 /nfs/dbraw/zinc/55/88/63/385558863.db2.gz YYNDQOURHPVGMQ-ZETCQYMHSA-N 1 0 244.682 1.792 20 5 BDBDRO C[NH2+][C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000129097919 385726114 /nfs/dbraw/zinc/72/61/14/385726114.db2.gz UBEASOQWLMYYQZ-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCC[NH2+]C1 ZINC000414870030 385845452 /nfs/dbraw/zinc/84/54/52/385845452.db2.gz RYMIEPTYTPFHRL-LBPRGKRZSA-N 1 0 249.314 1.745 20 5 BDBDRO C[C@@H](C[NH3+])NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414964208 385901997 /nfs/dbraw/zinc/90/19/97/385901997.db2.gz YJZZMOODQJXGPF-OAQKJQOQSA-N 1 0 235.287 1.545 20 5 BDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)C ZINC000267105195 386029528 /nfs/dbraw/zinc/02/95/28/386029528.db2.gz VLNNDDXXPYBMGY-UHFFFAOYSA-N 1 0 240.307 1.769 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCC2)cc1 ZINC000344845403 386224899 /nfs/dbraw/zinc/22/48/99/386224899.db2.gz JLCLTNWNOYCLMO-UHFFFAOYSA-N 1 0 235.287 1.390 20 5 BDBDRO O=[N+]([O-])c1cccc(CN[C@H]2CCC[NH2+]C2)c1 ZINC000052926243 386371038 /nfs/dbraw/zinc/37/10/38/386371038.db2.gz NXWRFVMLKHKYEL-NSHDSACASA-N 1 0 235.287 1.436 20 5 BDBDRO O=[N+]([O-])c1cc(F)cc(OC[C@H]2CC[NH2+]C2)c1 ZINC000051888726 386564474 /nfs/dbraw/zinc/56/44/74/386564474.db2.gz JLYGKCAXVDGBML-QMMMGPOBSA-N 1 0 240.234 1.722 20 5 BDBDRO CC(C)[C@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267071531 386752209 /nfs/dbraw/zinc/75/22/09/386752209.db2.gz LCHHIOHGACQXAT-JTQLQIEISA-N 1 0 240.307 1.768 20 5 BDBDRO CC[NH2+][C@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000414937947 386855623 /nfs/dbraw/zinc/85/56/23/386855623.db2.gz CWESJDOAUIZRAV-SNVBAGLBSA-N 1 0 237.303 1.682 20 5 BDBDRO CO[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000267648153 387040894 /nfs/dbraw/zinc/04/08/94/387040894.db2.gz KNAVECYGJOLEIU-NSHDSACASA-N 1 0 236.271 1.816 20 5 BDBDRO C[NH2+][C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000053201366 387013790 /nfs/dbraw/zinc/01/37/90/387013790.db2.gz SYYRJMMRACJPTP-LBPRGKRZSA-N 1 0 249.314 1.779 20 5 BDBDRO [NH3+]C[C@@H](NCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000414797183 387069963 /nfs/dbraw/zinc/06/99/63/387069963.db2.gz IESMQKSWIPCXRS-SECBINFHSA-N 1 0 241.316 1.483 20 5 BDBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000368333638 387293850 /nfs/dbraw/zinc/29/38/50/387293850.db2.gz UETQLJNOUHRJMS-ITGUQSILSA-N 1 0 248.282 1.265 20 5 BDBDRO C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000035601432 387374023 /nfs/dbraw/zinc/37/40/23/387374023.db2.gz UHDFAXSDAMNOAE-BDAKNGLRSA-N 1 0 224.260 1.626 20 5 BDBDRO C[C@@H](C[NH3+])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000347205614 387531270 /nfs/dbraw/zinc/53/12/70/387531270.db2.gz LZVCDYFHURAHPL-VIFPVBQESA-N 1 0 223.276 1.374 20 5 BDBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CO)cccc1[N+](=O)[O-] ZINC000268874528 387541090 /nfs/dbraw/zinc/54/10/90/387541090.db2.gz WEWBULMKKJWJOG-PSASIEDQSA-N 1 0 238.287 1.935 20 5 BDBDRO CC[C@@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1 ZINC000414977746 387626685 /nfs/dbraw/zinc/62/66/85/387626685.db2.gz KTGLDFZHQDJJJK-SNVBAGLBSA-N 1 0 223.276 1.422 20 5 BDBDRO CC[C@@H]([NH3+])CNCc1cccc([N+](=O)[O-])c1 ZINC000414984626 387630954 /nfs/dbraw/zinc/63/09/54/387630954.db2.gz VGVSBKKEBHMBKI-SNVBAGLBSA-N 1 0 223.276 1.422 20 5 BDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000090539509 388370746 /nfs/dbraw/zinc/37/07/46/388370746.db2.gz BIXLAGKQXFIZKZ-VIFPVBQESA-N 1 0 238.291 1.570 20 5 BDBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000163263461 388373640 /nfs/dbraw/zinc/37/36/40/388373640.db2.gz CZUKZWROTJEXNN-WDEREUQCSA-N 1 0 249.314 1.764 20 5 BDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000174876995 388442988 /nfs/dbraw/zinc/44/29/88/388442988.db2.gz KPXHLQXGYHOZKK-UHFFFAOYSA-N 1 0 224.264 1.276 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCO ZINC000272377048 388419707 /nfs/dbraw/zinc/41/97/07/388419707.db2.gz VJBYCVNYDWQUEY-SNVBAGLBSA-N 1 0 238.287 1.888 20 5 BDBDRO C[C@H](CCCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000094942325 388432088 /nfs/dbraw/zinc/43/20/88/388432088.db2.gz NAHNGMGFUIMQKD-SNVBAGLBSA-N 1 0 238.287 1.845 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[NH2+]C1 ZINC000516867423 256804788 /nfs/dbraw/zinc/80/47/88/256804788.db2.gz XAHMZBFXXCHJCK-ZDUSSCGKSA-N 1 0 249.314 1.697 20 5 BDBDRO CN(CC[NH3+])C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000054417562 388519150 /nfs/dbraw/zinc/51/91/50/388519150.db2.gz YPDKOIHJYQMQIU-VOTSOKGWSA-N 1 0 249.270 1.025 20 5 BDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCO ZINC000449061591 388746927 /nfs/dbraw/zinc/74/69/27/388746927.db2.gz GSAHUYMCNWDSEI-JTQLQIEISA-N 1 0 238.287 1.498 20 5 BDBDRO CC[C@H](O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000124474450 388748263 /nfs/dbraw/zinc/74/82/63/388748263.db2.gz ULZHGPLQWWGKEV-NSHDSACASA-N 1 0 238.287 1.764 20 5 BDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000422900231 388687052 /nfs/dbraw/zinc/68/70/52/388687052.db2.gz AABBYVHCWXPKKM-PELKAZGASA-N 1 0 247.254 1.285 20 5 BDBDRO CC[C@H](NCC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000423226920 388689069 /nfs/dbraw/zinc/68/90/69/388689069.db2.gz SUBZIUWZXLIGJI-LBPRGKRZSA-N 1 0 237.303 1.855 20 5 BDBDRO Cc1c([C@@H](C)N[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000423327495 388691860 /nfs/dbraw/zinc/69/18/60/388691860.db2.gz NIXKNRQGUSSSEM-PSASIEDQSA-N 1 0 237.303 1.901 20 5 BDBDRO C[C@@H]([NH3+])[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423450200 388692459 /nfs/dbraw/zinc/69/24/59/388692459.db2.gz SQUFZBXVPMJACC-BBBLOLIVSA-N 1 0 237.303 1.981 20 5 BDBDRO Cc1cc(=O)n(C[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000330873310 388761007 /nfs/dbraw/zinc/76/10/07/388761007.db2.gz HWSOVTCAPZFSJE-SECBINFHSA-N 1 0 239.275 1.015 20 5 BDBDRO CN(Cc1csc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000331496404 388774245 /nfs/dbraw/zinc/77/42/45/388774245.db2.gz NUEPOYXUDPQBGA-UHFFFAOYSA-N 1 0 242.300 1.613 20 5 BDBDRO [NH3+][C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000041030253 132223812 /nfs/dbraw/zinc/22/38/12/132223812.db2.gz YAEIJULMSSHIST-VIFPVBQESA-N 1 0 239.250 1.661 20 5 BDBDRO [NH3+]C[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000044531665 132225018 /nfs/dbraw/zinc/22/50/18/132225018.db2.gz XLTWFYVEWMAYDV-SECBINFHSA-N 1 0 236.275 1.165 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH3+])C1 ZINC000052813033 132229590 /nfs/dbraw/zinc/22/95/90/132229590.db2.gz OKCMZMRHCUBSDK-SECBINFHSA-N 1 0 236.275 1.226 20 5 BDBDRO Cc1cnc(N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000090692555 132236796 /nfs/dbraw/zinc/23/67/96/132236796.db2.gz OQHRBSVLUGZKBR-VIFPVBQESA-N 1 0 236.275 1.226 20 5 BDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])nc1 ZINC000216239714 133965056 /nfs/dbraw/zinc/96/50/56/133965056.db2.gz WNAMRQPFYIFJCJ-BDAKNGLRSA-N 1 0 236.275 1.163 20 5 BDBDRO CC[NH2+]CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000087151068 135107887 /nfs/dbraw/zinc/10/78/87/135107887.db2.gz AFWNSNDXWZOUEG-UHFFFAOYSA-N 1 0 223.276 1.925 20 5 BDBDRO C[NH2+]CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000087151066 135107941 /nfs/dbraw/zinc/10/79/41/135107941.db2.gz SNVHFPCKKVCYAE-UHFFFAOYSA-N 1 0 209.249 1.535 20 5 BDBDRO CC[NH2+]CCNc1c(F)cccc1[N+](=O)[O-] ZINC000261589663 135109559 /nfs/dbraw/zinc/10/95/59/135109559.db2.gz UASDSTHFUPYYLV-UHFFFAOYSA-N 1 0 227.239 1.755 20 5 BDBDRO Cc1ccnc(N2C[C@@H](C)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000261543515 135184997 /nfs/dbraw/zinc/18/49/97/135184997.db2.gz TXHXPVNMEJDESX-RKDXNWHRSA-N 1 0 236.275 1.082 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@H](C)[C@H]([NH3+])C1 ZINC000261544746 135186162 /nfs/dbraw/zinc/18/61/62/135186162.db2.gz ZNGPGBHYYKVSCD-VHSXEESVSA-N 1 0 235.287 1.687 20 5 BDBDRO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000261552493 135191452 /nfs/dbraw/zinc/19/14/52/135191452.db2.gz MXWMJVYAVBKWGF-CBAPKCEASA-N 1 0 239.250 1.517 20 5 BDBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[NH2+]C2)c(F)c1 ZINC000262255776 135288471 /nfs/dbraw/zinc/28/84/71/135288471.db2.gz XDGNGZRUBDARNP-VIFPVBQESA-N 1 0 239.250 1.185 20 5 BDBDRO C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000262285500 135290478 /nfs/dbraw/zinc/29/04/78/135290478.db2.gz ZPWFVFJJRXWLOT-MWLCHTKSSA-N 1 0 235.287 1.607 20 5 BDBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000263264322 135343272 /nfs/dbraw/zinc/34/32/72/135343272.db2.gz URAFTYZYAGIPSA-UHFFFAOYSA-N 1 0 249.314 1.779 20 5 BDBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086466619 135491771 /nfs/dbraw/zinc/49/17/71/135491771.db2.gz FGCFBSGDSIQCRH-MNOVXSKESA-N 1 0 249.314 1.777 20 5 BDBDRO CC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)COC1 ZINC000070987640 168044013 /nfs/dbraw/zinc/04/40/13/168044013.db2.gz ZCKOHODLXKWVQT-UHFFFAOYSA-N 1 0 236.271 1.721 20 5 BDBDRO CC[NH2+]CCNc1ncccc1[N+](=O)[O-] ZINC000054267335 170116450 /nfs/dbraw/zinc/11/64/50/170116450.db2.gz UTZJNPKHOHDDNT-UHFFFAOYSA-N 1 0 210.237 1.011 20 5 BDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000058233601 172342762 /nfs/dbraw/zinc/34/27/62/172342762.db2.gz HQXWKGCYOYTBLB-NSHDSACASA-N 1 0 249.270 1.029 20 5 BDBDRO C[N@@H+]1CCCC[C@H]1CCn1cc([N+](=O)[O-])cn1 ZINC000298484847 173006691 /nfs/dbraw/zinc/00/66/91/173006691.db2.gz APWSEXZBLDYXKV-JTQLQIEISA-N 1 0 238.291 1.666 20 5 BDBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000037647752 173147472 /nfs/dbraw/zinc/14/74/72/173147472.db2.gz YQUCGJWTOCOIEO-SNVBAGLBSA-N 1 0 235.287 1.958 20 5 BDBDRO C[NH2+]C(C)(C)CNc1ccncc1[N+](=O)[O-] ZINC000309948287 173320049 /nfs/dbraw/zinc/32/00/49/173320049.db2.gz FAYCKSXPHQNMSH-UHFFFAOYSA-N 1 0 224.264 1.400 20 5 BDBDRO C[NH2+]CCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000070304062 173352595 /nfs/dbraw/zinc/35/25/95/173352595.db2.gz FNKBJOCTIZYFIF-UHFFFAOYSA-N 1 0 237.303 1.289 20 5 BDBDRO C[NH2+]CCN(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771569 173353546 /nfs/dbraw/zinc/35/35/46/173353546.db2.gz UVLSMAVMFRKGFN-UHFFFAOYSA-N 1 0 249.274 1.127 20 5 BDBDRO C[NH2+]CCN(C)c1c(C)cccc1[N+](=O)[O-] ZINC000125691087 173354000 /nfs/dbraw/zinc/35/40/00/173354000.db2.gz BXPRFZZOEZIFFI-UHFFFAOYSA-N 1 0 223.276 1.559 20 5 BDBDRO C[NH2+]C[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000123613173 173380423 /nfs/dbraw/zinc/38/04/23/173380423.db2.gz CSOPICHQQZPOJU-GFCCVEGCSA-N 1 0 249.314 1.779 20 5 BDBDRO C[NH2+]C[C@H]1CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000133291858 173381083 /nfs/dbraw/zinc/38/10/83/173381083.db2.gz RHXLDTDXSRPRDO-SECBINFHSA-N 1 0 236.275 1.178 20 5 BDBDRO C[NH2+][C@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000129165220 173467032 /nfs/dbraw/zinc/46/70/32/173467032.db2.gz SHJMUWDPILZLKE-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO C[NH2+][C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000116942545 173467224 /nfs/dbraw/zinc/46/72/24/173467224.db2.gz OETUULZMDWPDNQ-VIFPVBQESA-N 1 0 239.250 1.532 20 5 BDBDRO COCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176765 174337675 /nfs/dbraw/zinc/33/76/75/174337675.db2.gz FUVPWQZQENREOM-VIFPVBQESA-N 1 0 224.260 1.892 20 5 BDBDRO COc1cc(NCC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000129660688 175001584 /nfs/dbraw/zinc/00/15/84/175001584.db2.gz GBZSMXAOVVWHFN-UHFFFAOYSA-N 1 0 239.275 1.753 20 5 BDBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000293520265 176295334 /nfs/dbraw/zinc/29/53/34/176295334.db2.gz VZJITJKRYKSLIC-RKDXNWHRSA-N 1 0 224.264 1.132 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000111263737 176330211 /nfs/dbraw/zinc/33/02/11/176330211.db2.gz VPHJQLQMESJIRG-LDYMZIIASA-N 1 0 249.270 1.389 20 5 BDBDRO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000246289556 177162479 /nfs/dbraw/zinc/16/24/79/177162479.db2.gz AHDFZKVXOGPBML-UWVGGRQHSA-N 1 0 238.291 1.522 20 5 BDBDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000339562925 177255503 /nfs/dbraw/zinc/25/55/03/177255503.db2.gz OWZZQFCLJUXDLB-DTWKUNHWSA-N 1 0 224.264 1.132 20 5 BDBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000235668337 177264947 /nfs/dbraw/zinc/26/49/47/177264947.db2.gz RWGWOWIYLSANAG-CABZTGNLSA-N 1 0 235.287 1.374 20 5 BDBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226784277 177397030 /nfs/dbraw/zinc/39/70/30/177397030.db2.gz XXSRJBKCLARXJQ-RNFRBKRXSA-N 1 0 242.304 1.604 20 5 BDBDRO C[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000053204930 536366198 /nfs/dbraw/zinc/36/61/98/536366198.db2.gz JLQIAMWOZOTALI-SECBINFHSA-N 1 0 236.275 1.178 20 5 BDBDRO C[NH2+][C@H](C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000261593440 536404420 /nfs/dbraw/zinc/40/44/20/536404420.db2.gz WVRLGYAKUXEHDN-SSDOTTSWSA-N 1 0 227.239 1.754 20 5 BDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ncccc2[N+](=O)[O-])C1 ZINC000893940410 583255244 /nfs/dbraw/zinc/25/52/44/583255244.db2.gz OHWMBLKFPAERRD-ONGXEEELSA-N 1 0 248.286 1.130 20 5 BDBDRO CN(CCC[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000899860629 584242823 /nfs/dbraw/zinc/24/28/23/584242823.db2.gz SRSDTQAJSUINHR-UHFFFAOYSA-N 1 0 237.303 1.379 20 5 BDBDRO C[C@H]1CCCC[C@@H]1OCC[NH2+]CC[N+](=O)[O-] ZINC000899871911 584244827 /nfs/dbraw/zinc/24/48/27/584244827.db2.gz VIJJCUKQKKTZSA-QWRGUYRKSA-N 1 0 230.308 1.448 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccccc2)CC1 ZINC000899865764 584245035 /nfs/dbraw/zinc/24/50/35/584245035.db2.gz UPOSTEINECBZIL-UHFFFAOYSA-N 1 0 220.272 1.585 20 5 BDBDRO C[C@@]1(CC[NH2+]CC[N+](=O)[O-])CC1(F)F ZINC000899891013 584245966 /nfs/dbraw/zinc/24/59/66/584245966.db2.gz GJQUVXSISMCJRU-SSDOTTSWSA-N 1 0 208.208 1.288 20 5 BDBDRO C[C@@H]1CC(C[NH2+]CC[N+](=O)[O-])C[C@@H](C)C1 ZINC000899891809 584249010 /nfs/dbraw/zinc/24/90/10/584249010.db2.gz LVJJIJSABQZYSK-UWVGGRQHSA-N 1 0 214.309 1.925 20 5 BDBDRO CSCC1(CC[NH2+]CC[N+](=O)[O-])CC1 ZINC000899892158 584249067 /nfs/dbraw/zinc/24/90/67/584249067.db2.gz NXKPGEOTMHGYCF-UHFFFAOYSA-N 1 0 218.322 1.386 20 5 BDBDRO CC1(C)C[NH2+]C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000903823902 584804748 /nfs/dbraw/zinc/80/47/48/584804748.db2.gz KTFXWNRTJCEPDZ-GFCCVEGCSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@H](C[NH3+])N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817966070 584992917 /nfs/dbraw/zinc/99/29/17/584992917.db2.gz FQXKAJWAXJNRPS-HTQZYQBOSA-N 1 0 238.291 1.175 20 5 BDBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000744442073 585150402 /nfs/dbraw/zinc/15/04/02/585150402.db2.gz WHIZIGNYDZSCJH-NXEZZACHSA-N 1 0 238.291 1.869 20 5 BDBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000761076214 585406365 /nfs/dbraw/zinc/40/63/65/585406365.db2.gz JMCOGTGSIJXBAH-LLVKDONJSA-N 1 0 249.314 1.731 20 5 BDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC=CCC2)cc1 ZINC000778968341 585743084 /nfs/dbraw/zinc/74/30/84/585743084.db2.gz ZEMFQEBQHPFLQA-ZDUSSCGKSA-N 1 0 248.282 1.890 20 5 BDBDRO Cc1ncc(CN(C)CC[N+](=O)[O-])s1 ZINC000787713400 585914217 /nfs/dbraw/zinc/91/42/17/585914217.db2.gz YAAHEZYGSPXQJS-UHFFFAOYSA-N 1 0 215.278 1.160 20 5 BDBDRO O=[N+]([O-])CCN(Cc1cccs1)C1CC1 ZINC000791053062 585972660 /nfs/dbraw/zinc/97/26/60/585972660.db2.gz HGDXTUQFZUDDED-UHFFFAOYSA-N 1 0 226.301 1.989 20 5 BDBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CC[N+](=O)[O-] ZINC000798198024 586140237 /nfs/dbraw/zinc/14/02/37/586140237.db2.gz XYECIZFGEBOKAT-VHSXEESVSA-N 1 0 200.282 1.774 20 5 BDBDRO CCO[C@H]1C[C@H]([N@H+](C)CC[N+](=O)[O-])C1(C)C ZINC000798197734 586140309 /nfs/dbraw/zinc/14/03/09/586140309.db2.gz UMNACTBUKNWHLW-UWVGGRQHSA-N 1 0 230.308 1.399 20 5 BDBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC[N+](=O)[O-])C1(C)C ZINC000798197733 586140372 /nfs/dbraw/zinc/14/03/72/586140372.db2.gz UMNACTBUKNWHLW-NXEZZACHSA-N 1 0 230.308 1.399 20 5 BDBDRO CC[C@@H](C(=O)O[C@H](C)C[N+](=O)[O-])[NH+](CC)CC ZINC000814039341 586612335 /nfs/dbraw/zinc/61/23/35/586612335.db2.gz NWPNNHFZBXCFDM-ZJUUUORDSA-N 1 0 246.307 1.315 20 5 BDBDRO C[NH+](C)CCCOC(=O)c1ccc([N+](=O)[O-])o1 ZINC000849168898 588459519 /nfs/dbraw/zinc/45/95/19/588459519.db2.gz PHIRIMYLTNQOQB-UHFFFAOYSA-N 1 0 242.231 1.296 20 5 BDBDRO O=C(OCCC[N+](=O)[O-])c1ccc2c[nH+]cn2c1 ZINC000860918509 589131764 /nfs/dbraw/zinc/13/17/64/589131764.db2.gz KOXDIAVJBKUQHI-UHFFFAOYSA-N 1 0 249.226 1.158 20 5 BDBDRO [NH3+][C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000123574270 589754908 /nfs/dbraw/zinc/75/49/08/589754908.db2.gz OCVZEFFCXILTRH-LLVKDONJSA-N 1 0 249.270 1.661 20 5 BDBDRO O=[N+]([O-])c1ccnn1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000872712536 589964029 /nfs/dbraw/zinc/96/40/29/589964029.db2.gz RLSYEWBBTDFZLD-PHIMTYICSA-N 1 0 248.286 1.647 20 5 BDBDRO Cc1ccc(CN[C@H]2CCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873251082 590008682 /nfs/dbraw/zinc/00/86/82/590008682.db2.gz IXMNQWRAECFAMI-NEPJUHHUSA-N 1 0 249.314 1.873 20 5 BDBDRO [NH3+][C@@H](CNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000129317495 591276633 /nfs/dbraw/zinc/27/66/33/591276633.db2.gz XGPMIVGSCXFWAK-JTQLQIEISA-N 1 0 239.250 1.883 20 5 BDBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CC[NH2+]C1 ZINC000133787782 591856678 /nfs/dbraw/zinc/85/66/78/591856678.db2.gz SVQOWVNOPZLKEZ-QMMMGPOBSA-N 1 0 239.250 1.755 20 5 BDBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000886284362 592199905 /nfs/dbraw/zinc/19/99/05/592199905.db2.gz UYROSZOWKIKOGD-MWLCHTKSSA-N 1 0 233.271 1.832 20 5 BDBDRO CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000110513454 592707881 /nfs/dbraw/zinc/70/78/81/592707881.db2.gz QYNAIQJCOCDMPJ-ZDUSSCGKSA-N 1 0 249.314 1.779 20 5 BDBDRO CC1(C)C[C@H]([NH2+]CC[N+](=O)[O-])C(C)(C)O1 ZINC000309118788 631890904 /nfs/dbraw/zinc/89/09/04/631890904.db2.gz MRTYWSDYAHZPPT-QMMMGPOBSA-N 1 0 216.281 1.199 20 5 BDBDRO CC[NH2+]CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000044286670 632080732 /nfs/dbraw/zinc/08/07/32/632080732.db2.gz JITMQGUAMYXKCR-UHFFFAOYSA-N 1 0 237.259 1.451 20 5 BDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000309465717 633105550 /nfs/dbraw/zinc/10/55/50/633105550.db2.gz VUGUAHKIKQDDSG-ZCFIWIBFSA-N 1 0 243.288 1.076 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCN1CCc2ccccc21 ZINC000905039964 637558882 /nfs/dbraw/zinc/55/88/82/637558882.db2.gz JGKBQUZMVNGZFD-UHFFFAOYSA-N 1 0 249.314 1.306 20 5 BDBDRO CN(C)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905023352 637571015 /nfs/dbraw/zinc/57/10/15/637571015.db2.gz HKVAJDSKCCELBD-UHFFFAOYSA-N 1 0 223.276 1.119 20 5 BDBDRO C[C@H]1Cc2ccccc2N1CC[NH2+]CC[N+](=O)[O-] ZINC000905069400 637602154 /nfs/dbraw/zinc/60/21/54/637602154.db2.gz CNJKHCJDLVVORZ-NSHDSACASA-N 1 0 249.314 1.304 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000905120630 637627209 /nfs/dbraw/zinc/62/72/09/637627209.db2.gz CMXHPAWFZXXFRI-LBPRGKRZSA-N 1 0 249.314 1.522 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCOC1CCCCCC1 ZINC000905128343 637641552 /nfs/dbraw/zinc/64/15/52/637641552.db2.gz RCSLRWZGYUVCMC-UHFFFAOYSA-N 1 0 230.308 1.592 20 5 BDBDRO CCCC[C@H](COC)[NH2+]CC[N+](=O)[O-] ZINC000905128627 637642326 /nfs/dbraw/zinc/64/23/26/637642326.db2.gz SUZYVMVQIXLZOF-SECBINFHSA-N 1 0 204.270 1.058 20 5 BDBDRO Cc1ccccc1O[C@@H](C)C[NH2+]CC[N+](=O)[O-] ZINC000905136477 637647348 /nfs/dbraw/zinc/64/73/48/637647348.db2.gz KYCIAETVTFVIDH-NSHDSACASA-N 1 0 238.287 1.629 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000905140188 637647922 /nfs/dbraw/zinc/64/79/22/637647922.db2.gz SXAGAPCWTFLEPL-OUAUKWLOSA-N 1 0 212.293 1.822 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000905140187 637649658 /nfs/dbraw/zinc/64/96/58/637649658.db2.gz SXAGAPCWTFLEPL-HBNTYKKESA-N 1 0 212.293 1.822 20 5 BDBDRO CC1(C[NH2+]CC[N+](=O)[O-])Cc2ccccc2C1 ZINC000905197570 637691640 /nfs/dbraw/zinc/69/16/40/637691640.db2.gz XGPMJQYUMGZTLP-UHFFFAOYSA-N 1 0 234.299 1.658 20 5 BDBDRO C[C@@H](CCNCC[N+](=O)[O-])[NH+]1CCCCC1 ZINC000905208768 637697153 /nfs/dbraw/zinc/69/71/53/637697153.db2.gz NAONFODRVRCLBP-NSHDSACASA-N 1 0 229.324 1.117 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000905276109 637733256 /nfs/dbraw/zinc/73/32/56/637733256.db2.gz WKTZJNKNPWEOCH-SECBINFHSA-N 1 0 238.312 1.742 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCC1(F)F ZINC000905280141 637734362 /nfs/dbraw/zinc/73/43/62/637734362.db2.gz OZBTUJXJUQXVHK-ZETCQYMHSA-N 1 0 208.208 1.288 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CC12CCSCC2 ZINC000905290934 637741156 /nfs/dbraw/zinc/74/11/56/637741156.db2.gz VUYKSFYSJGAAHC-SECBINFHSA-N 1 0 230.333 1.386 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H](CO)CC1CCCCC1 ZINC000905345519 637768221 /nfs/dbraw/zinc/76/82/21/637768221.db2.gz NBCJGMNJYMDVSO-NSHDSACASA-N 1 0 230.308 1.184 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000905384238 637784443 /nfs/dbraw/zinc/78/44/43/637784443.db2.gz VEMSFONXZLDDNZ-QJPTWQEYSA-N 1 0 236.246 1.330 20 5 BDBDRO Cc1cccc2c1C[C@@H]([NH2+]CC[N+](=O)[O-])CO2 ZINC000905388207 637786504 /nfs/dbraw/zinc/78/65/04/637786504.db2.gz CBZXPHLPPKEIKT-SNVBAGLBSA-N 1 0 236.271 1.165 20 5 BDBDRO O=[N+]([O-])CCNC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000905387540 637786633 /nfs/dbraw/zinc/78/66/33/637786633.db2.gz AOIBOFAIBBLYTH-LBPRGKRZSA-N 1 0 241.335 1.260 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000905403565 637797534 /nfs/dbraw/zinc/79/75/34/637797534.db2.gz CSFCZJWKYBOGGD-JTQLQIEISA-N 1 0 228.292 1.060 20 5 BDBDRO C[NH2+]CCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000043598942 638629288 /nfs/dbraw/zinc/62/92/88/638629288.db2.gz SXFGFUOUZCRZJY-UHFFFAOYSA-N 1 0 248.242 1.407 20 5 BDBDRO C[N@H+](CC[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000930290156 639682165 /nfs/dbraw/zinc/68/21/65/639682165.db2.gz IESGWFGUFCMUNB-VIFPVBQESA-N 1 0 200.282 1.774 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000930477841 639774983 /nfs/dbraw/zinc/77/49/83/639774983.db2.gz MYIYWIQFJTVFNE-LBPRGKRZSA-N 1 0 235.287 1.538 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000930663744 639851709 /nfs/dbraw/zinc/85/17/09/639851709.db2.gz MEAGHRCGNNKERX-JTQLQIEISA-N 1 0 230.333 1.482 20 5 BDBDRO CCC[C@H]([NH2+]CC[N+](=O)[O-])C1CCC1 ZINC000930704101 639871003 /nfs/dbraw/zinc/87/10/03/639871003.db2.gz UPTXMTLFDVZHRM-JTQLQIEISA-N 1 0 200.282 1.822 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC(OC2CCC2)CC1 ZINC000930744260 639892043 /nfs/dbraw/zinc/89/20/43/639892043.db2.gz YWLFXIFZYHJPGP-UHFFFAOYSA-N 1 0 228.292 1.297 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC2(CC2(F)F)CC1 ZINC000930852627 639948961 /nfs/dbraw/zinc/94/89/61/639948961.db2.gz FNJUCRRARMGZCY-UHFFFAOYSA-N 1 0 220.219 1.384 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000931174437 640089506 /nfs/dbraw/zinc/08/95/06/640089506.db2.gz NQQRVCVSXGCGEJ-BDAKNGLRSA-N 1 0 216.306 1.233 20 5 BDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@]12C[C@@H]1CCCC2 ZINC000931470082 640222498 /nfs/dbraw/zinc/22/24/98/640222498.db2.gz JHCJPUYDKPMCPI-GARJFASQSA-N 1 0 212.293 1.822 20 5 BDBDRO C[C@@H](C[N@H+](C)CC[N+](=O)[O-])C(C)(C)C ZINC000931616515 640285137 /nfs/dbraw/zinc/28/51/37/640285137.db2.gz USXAWHIFYKODQN-VIFPVBQESA-N 1 0 202.298 1.877 20 5 BDBDRO C[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443414 641149983 /nfs/dbraw/zinc/14/99/83/641149983.db2.gz NQIWLMRGBOLHNY-SSDOTTSWSA-N 1 0 244.678 1.719 20 5 BDBDRO Cc1[nH]c(C)c(Cn2ccc(=O)c([N+](=O)[O-])c2)[nH+]1 ZINC000917109617 642011925 /nfs/dbraw/zinc/01/19/25/642011925.db2.gz HYVGMYCJMWXXJT-UHFFFAOYSA-N 1 0 248.242 1.145 20 5 BDBDRO CC(C)[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000920484118 642508799 /nfs/dbraw/zinc/50/87/99/642508799.db2.gz CDUKWFBLAHYZSZ-JTQLQIEISA-N 1 0 238.291 1.869 20 5 BDBDRO Cc1cnc(NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000090692579 644602131 /nfs/dbraw/zinc/60/21/31/644602131.db2.gz SLUVACHUYXEXCW-SECBINFHSA-N 1 0 236.275 1.462 20 5 BDBDRO [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000093215717 644681619 /nfs/dbraw/zinc/68/16/19/644681619.db2.gz DPPXWOVBOWINBR-VXGBXAGGSA-N 1 0 249.314 1.954 20 5 BDBDRO [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000093214523 644682449 /nfs/dbraw/zinc/68/24/49/644682449.db2.gz BXFFISOIOKGPSW-RYUDHWBXSA-N 1 0 249.314 1.954 20 5 BDBDRO C[C@H]1[C@@H](C)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000841689306 645224312 /nfs/dbraw/zinc/22/43/12/645224312.db2.gz IZPBMHDKBQAXRJ-OPRDCNLKSA-N 1 0 238.291 1.725 20 5 BDBDRO CC(C)[NH+]1CCC(N(C)CC[N+](=O)[O-])CC1 ZINC000929469462 646131257 /nfs/dbraw/zinc/13/12/57/646131257.db2.gz CEDGZJQZEBEQAZ-UHFFFAOYSA-N 1 0 229.324 1.068 20 5 BDBDRO CCOC[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929644965 646219016 /nfs/dbraw/zinc/21/90/16/646219016.db2.gz YUOMSPCSYRZKMI-JTQLQIEISA-N 1 0 216.281 1.012 20 5 BDBDRO C[C@@H]1C[NH+](CC[N+](=O)[O-])C[C@@H](C)S1 ZINC000929724894 646274849 /nfs/dbraw/zinc/27/48/49/646274849.db2.gz FECSODQFASXJST-HTQZYQBOSA-N 1 0 204.295 1.089 20 5 BDBDRO CC(C)[N@H+](CC[N+](=O)[O-])C1CCCC1 ZINC000929956678 646378330 /nfs/dbraw/zinc/37/83/30/646378330.db2.gz KPYFFKALUFEEGW-UHFFFAOYSA-N 1 0 200.282 1.916 20 5 BDBDRO COCC1(C)CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930179037 646480679 /nfs/dbraw/zinc/48/06/79/646480679.db2.gz GHAIUDJOCAEJTL-UHFFFAOYSA-N 1 0 216.281 1.012 20 5 BDBDRO C[C@@H]1CCC[C@@](CNCC[N+](=O)[O-])([NH+](C)C)C1 ZINC000899872621 711803729 /nfs/dbraw/zinc/80/37/29/711803729.db2.gz CQADIYSSFBXOQZ-VXGBXAGGSA-N 1 0 243.351 1.363 20 5 BDBDRO C[C@@H]1CCC[C@@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000899872421 711803869 /nfs/dbraw/zinc/80/38/69/711803869.db2.gz AWYDDFJMHRMADC-NXEZZACHSA-N 1 0 200.282 1.679 20 5 BDBDRO CC[C@@H](CO)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035603926 712222704 /nfs/dbraw/zinc/22/27/04/712222704.db2.gz IVNHYIIKVKETDJ-JTQLQIEISA-N 1 0 242.250 1.594 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@H+]1C ZINC000712618203 712438799 /nfs/dbraw/zinc/43/87/99/712438799.db2.gz VMJBLKDDPBKTKC-SECBINFHSA-N 1 0 236.275 1.414 20 5 BDBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@@H+]1C ZINC000719570967 712810617 /nfs/dbraw/zinc/81/06/17/712810617.db2.gz FJOJTNOCKDIULW-SCZZXKLOSA-N 1 0 236.275 1.494 20 5 BDBDRO C[C@@H]1[C@@H](Nc2ncccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719580358 712812245 /nfs/dbraw/zinc/81/22/45/712812245.db2.gz RKNNVJLPBIWBPU-BDAKNGLRSA-N 1 0 236.275 1.494 20 5 BDBDRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000719604333 712816130 /nfs/dbraw/zinc/81/61/30/712816130.db2.gz UUUDAXZAUGDMCN-ZYHUDNBSSA-N 1 0 249.314 1.777 20 5 BDBDRO C[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226709227 963308835 /nfs/dbraw/zinc/30/88/35/963308835.db2.gz GOSGQUHOBRUBRR-SECBINFHSA-N 1 0 223.232 1.073 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(CF)CC2)C1 ZINC001168956949 969307528 /nfs/dbraw/zinc/30/75/28/969307528.db2.gz CYTPPEJCBIHTLY-IUCAKERBSA-N 1 0 216.256 1.524 20 5 BDBDRO CCSCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966639 969319312 /nfs/dbraw/zinc/31/93/12/969319312.db2.gz KLHLTZKDFJJZCU-ZJUUUORDSA-N 1 0 232.349 1.775 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cocn2)C1 ZINC001168975639 969324400 /nfs/dbraw/zinc/32/44/00/969324400.db2.gz WQKILRDTBFRMLL-BDAKNGLRSA-N 1 0 225.248 1.210 20 5 BDBDRO CC(=O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538506 969738020 /nfs/dbraw/zinc/73/80/20/969738020.db2.gz WOTBANQSFHVFTP-VIFPVBQESA-N 1 0 236.271 1.704 20 5 BDBDRO C[C@@H]([NH3+])CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000304359102 970584895 /nfs/dbraw/zinc/58/48/95/970584895.db2.gz MFMPBLMYKUERFS-ZCFIWIBFSA-N 1 0 244.682 1.792 20 5 BDBDRO C[C@H](CO)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216677 975069541 /nfs/dbraw/zinc/06/95/41/975069541.db2.gz MXJGVUXJYIDJSL-NXEZZACHSA-N 1 0 238.287 1.496 20 5 BDBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CC[N+](=O)[O-] ZINC001335222815 976888496 /nfs/dbraw/zinc/88/84/96/976888496.db2.gz SCWMLWKWMZLFDG-ZYHUDNBSSA-N 1 0 238.287 1.017 20 5 BDBDRO C[C@H](C[N+](C)(C)C)OCCCC(C)(C)O ZINC001217891467 971490125 /nfs/dbraw/zinc/49/01/25/971490125.db2.gz KTMUSHICJSEJJA-LLVKDONJSA-N 1 0 218.361 1.649 20 5 BDBDRO C[C@@H]([NH3+])CCNc1cnc(Cl)cc1[N+](=O)[O-] ZINC001170889903 972039659 /nfs/dbraw/zinc/03/96/59/972039659.db2.gz YSBCDPBKVZTGLT-ZCFIWIBFSA-N 1 0 244.682 1.792 20 5 BDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CC23CC3)c1 ZINC001346237936 957480881 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247.258 1.398 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)OCCC1CCOCC1 ZINC001224544930 973759148 /nfs/dbraw/zinc/75/91/48/973759148.db2.gz AKZRXHXTCWBOJH-LBPRGKRZSA-N 1 0 230.372 1.914 20 5 BDBDRO CC1(C)OC[C@H](COCCC[N+](C)(C)C)O1 ZINC001224619822 973802648 /nfs/dbraw/zinc/80/26/48/973802648.db2.gz RRGBAZGDSMVTHK-NSHDSACASA-N 1 0 232.344 1.251 20 5 BDBDRO C[C@@H]1C[C@@H](OCCC[N+](C)(C)C)CCO1 ZINC001224621523 973802770 /nfs/dbraw/zinc/80/27/70/973802770.db2.gz WUKGVBJZARWICL-NEPJUHHUSA-N 1 0 216.345 1.667 20 5 BDBDRO CCOCC(COCC)OCC[N+](C)(C)C ZINC001224775523 973940622 /nfs/dbraw/zinc/94/06/22/973940622.db2.gz MAGYXGKJISDIMH-UHFFFAOYSA-N 1 0 234.360 1.151 20 5 BDBDRO C[C@@H](OCC[N+](C)(C)C)C(F)(F)F ZINC001224771545 973939407 /nfs/dbraw/zinc/93/94/07/973939407.db2.gz NWQCMEYNXKGVCS-SSDOTTSWSA-N 1 0 200.224 1.660 20 5 BDBDRO C[N+](C)(C)CCOCCOC1CCCC1 ZINC001224775978 973942624 /nfs/dbraw/zinc/94/26/24/973942624.db2.gz QOQKFQHCBYUMDB-UHFFFAOYSA-N 1 0 216.345 1.668 20 5 BDBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c(CO)n1 ZINC001225285493 974354670 /nfs/dbraw/zinc/35/46/70/974354670.db2.gz IVXBSYJLCAWIGB-NSHDSACASA-N 1 0 239.339 1.356 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc(C(F)F)nc1 ZINC001225424566 974481255 /nfs/dbraw/zinc/48/12/55/974481255.db2.gz RMIOUCBBEDCLSC-QMMMGPOBSA-N 1 0 246.281 1.888 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cnc(CF)nc1 ZINC001225538386 974538932 /nfs/dbraw/zinc/53/89/32/974538932.db2.gz YRVMLVDOENEUNL-SECBINFHSA-N 1 0 228.291 1.420 20 5 BDBDRO O=[N+]([O-])c1cccnc1O[C@H]1C[NH+]2CCC1CC2 ZINC001225593004 974580266 /nfs/dbraw/zinc/58/02/66/974580266.db2.gz KDDCVEWAVWJQPW-NSHDSACASA-N 1 0 249.270 1.463 20 5 BDBDRO C[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225629648 974604302 /nfs/dbraw/zinc/60/43/02/974604302.db2.gz YVYIHSARBFAAEC-VIFPVBQESA-N 1 0 223.232 1.073 20 5 BDBDRO Cc1cc(O[C@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001225657890 974629016 /nfs/dbraw/zinc/62/90/16/974629016.db2.gz SRHZTGQTCWODDL-VIFPVBQESA-N 1 0 237.259 1.381 20 5 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209.249 1.317 20 5 BDBDRO C[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC001332850514 975294922 /nfs/dbraw/zinc/29/49/22/975294922.db2.gz XRIRPGHQSMSTST-MXWKQRLJSA-N 1 0 212.293 1.774 20 5 BDBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001332897111 975312241 /nfs/dbraw/zinc/31/22/41/975312241.db2.gz IJPOIEAORPJLDB-VHSXEESVSA-N 1 0 232.349 1.917 20 5 BDBDRO C[C@H]([NH3+])CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332977349 975354958 /nfs/dbraw/zinc/35/49/58/975354958.db2.gz WHXWXLAVXNOAJL-QMMMGPOBSA-N 1 0 249.270 1.174 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(O)c1 ZINC001227554358 975540719 /nfs/dbraw/zinc/54/07/19/975540719.db2.gz ODNCLONCULYRPB-JTQLQIEISA-O 1 0 210.297 1.866 20 5 BDBDRO COC(=O)CCCO[C@H](C)C[N+](C)(C)C ZINC001206215380 975550023 /nfs/dbraw/zinc/55/00/23/975550023.db2.gz CONZTTVOPOSVET-SNVBAGLBSA-N 1 0 218.317 1.051 20 5 BDBDRO CC[N@@H+]1CC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228880022 976548250 /nfs/dbraw/zinc/54/82/50/976548250.db2.gz PEWPLCCKVJXZSL-SECBINFHSA-N 1 0 237.259 1.463 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001334604948 976566551 /nfs/dbraw/zinc/56/65/51/976566551.db2.gz WBRUHXNWCWMOAK-ZDUSSCGKSA-N 1 0 234.299 1.828 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CC2CCC1CC2 ZINC001335985466 977404546 /nfs/dbraw/zinc/40/45/46/977404546.db2.gz FREQUMKGXDQCBJ-ILDUYXDCSA-N 1 0 212.293 1.679 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C2CC2)nn1 ZINC001231028409 977434527 /nfs/dbraw/zinc/43/45/27/977434527.db2.gz PFAHZNHNHOQBBC-JTQLQIEISA-N 1 0 236.339 1.828 20 5 BDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC001336819744 977981874 /nfs/dbraw/zinc/98/18/74/977981874.db2.gz GOTOLRUAISXZNZ-CMPLNLGQSA-N 1 0 238.287 1.149 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC001336848701 977999902 /nfs/dbraw/zinc/99/99/02/977999902.db2.gz NYUITWDOBFRPTI-QJPTWQEYSA-N 1 0 218.256 1.191 20 5 BDBDRO C[NH2+][C@@H](C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001350405057 981968360 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ZINC001246913945 988703642 /nfs/dbraw/zinc/70/36/42/988703642.db2.gz RINCFNMGOVJYLB-JTQLQIEISA-N 1 0 238.287 1.450 20 5 BDBDRO C[NH2+][C@H](C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001325268114 989139210 /nfs/dbraw/zinc/13/92/10/989139210.db2.gz QEPJGRLUHJKPBJ-SNVBAGLBSA-N 1 0 237.303 1.682 20 5 BDBDRO C[NH2+][C@H](C)CCNCc1ccccc1[N+](=O)[O-] ZINC001325625198 989218260 /nfs/dbraw/zinc/21/82/60/989218260.db2.gz ISZVUWABVZFWOC-SNVBAGLBSA-N 1 0 237.303 1.682 20 5 BDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCF)c1 ZINC001120584148 989758757 /nfs/dbraw/zinc/75/87/57/989758757.db2.gz YLIOLQIYKAGTFW-LLVKDONJSA-N 1 0 242.250 1.577 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC001524173195 989981019 /nfs/dbraw/zinc/98/10/19/989981019.db2.gz GHZKFONMZZRQEP-DTORHVGOSA-N 1 0 249.270 1.123 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC001524175303 989985275 /nfs/dbraw/zinc/98/52/75/989985275.db2.gz ZRSAJDBXBZMOGM-DTORHVGOSA-N 1 0 249.270 1.123 20 5 BDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1(C)CC1 ZINC001308135186 995560999 /nfs/dbraw/zinc/56/09/99/995560999.db2.gz SXNDSWZFXOXIKE-VIFPVBQESA-N 1 0 238.291 1.570 20 5 BDBDRO Cc1cc(NCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000086002027 178160318 /nfs/dbraw/zinc/16/03/18/178160318.db2.gz SKZVMESXZJDRNO-UHFFFAOYSA-N 1 0 224.264 1.272 20 5 BDBDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000600677885 342799036 /nfs/dbraw/zinc/79/90/36/342799036.db2.gz KQFWVWAZFFRRDW-QWHCGFSZSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000521993113 398306936 /nfs/dbraw/zinc/30/69/36/398306936.db2.gz CZPMIKDNXWWQOO-ZJUUUORDSA-N 1 0 237.303 1.810 20 5 BDBDRO C[NH2+][C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000133165459 398323570 /nfs/dbraw/zinc/32/35/70/398323570.db2.gz RJNHHWGAKHNUFJ-SECBINFHSA-N 1 0 241.316 1.450 20 5 BDBDRO C[NH+](C)CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000105794859 398324969 /nfs/dbraw/zinc/32/49/69/398324969.db2.gz HYNDFAFDHIMHLO-UHFFFAOYSA-N 1 0 249.274 1.445 20 5 BDBDRO CC1(C)[C@H]([NH3+])C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000404792916 362028102 /nfs/dbraw/zinc/02/81/02/362028102.db2.gz RYVXPFLOBUQSAV-VXGBXAGGSA-N 1 0 249.314 1.810 20 5 BDBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000505351949 529820833 /nfs/dbraw/zinc/82/08/33/529820833.db2.gz VMWVFLYRQZRTNU-XQRVVYSFSA-N 1 0 236.271 1.532 20 5 BDBDRO C[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000230732282 346997844 /nfs/dbraw/zinc/99/78/44/346997844.db2.gz JZJVCZACQNMIJF-GFCCVEGCSA-N 1 0 249.270 1.077 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+](C)C)n1 ZINC000162592895 344126211 /nfs/dbraw/zinc/12/62/11/344126211.db2.gz UOPNMCIWCCZAQY-UHFFFAOYSA-N 1 0 238.291 1.662 20 5 BDBDRO C[C@H](C1CC1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176218094 344382784 /nfs/dbraw/zinc/38/27/84/344382784.db2.gz IPEPBMSHIDJTLZ-SECBINFHSA-N 1 0 238.291 1.522 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603095934 344435389 /nfs/dbraw/zinc/43/53/89/344435389.db2.gz YQIJZSWAVKAQGI-CDMKHQONSA-N 1 0 248.282 1.722 20 5 BDBDRO Cc1cnc(N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000080684979 345431034 /nfs/dbraw/zinc/43/10/34/345431034.db2.gz OMMNAZYOGLKLMY-UHFFFAOYSA-N 1 0 238.291 1.296 20 5 BDBDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000590761988 347526462 /nfs/dbraw/zinc/52/64/62/347526462.db2.gz XLZZWVWXHWQAIV-BXKDBHETSA-N 1 0 236.271 1.550 20 5 BDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccncc3[N+](=O)[O-])C[C@@H]21 ZINC000590719074 347500724 /nfs/dbraw/zinc/50/07/24/347500724.db2.gz NXOZJYRKOVFNRN-SKDRFNHKSA-N 1 0 248.286 1.130 20 5 BDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc1 ZINC000591439887 347661550 /nfs/dbraw/zinc/66/15/50/347661550.db2.gz ZUXMMYWOSMHTFS-GXSJLCMTSA-N 1 0 248.286 1.178 20 5 BDBDRO C[C@@H]([NH3+])CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000591581457 347678567 /nfs/dbraw/zinc/67/85/67/347678567.db2.gz XBQCXFNLXCCUKJ-RKDXNWHRSA-N 1 0 223.276 1.593 20 5 BDBDRO CC1(C)C[NH2+][C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000591673144 347684808 /nfs/dbraw/zinc/68/48/08/347684808.db2.gz PWGXYQZLDVVNQL-SNVBAGLBSA-N 1 0 249.270 1.531 20 5 BDBDRO CC1([NH3+])CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000592431567 347778265 /nfs/dbraw/zinc/77/82/65/347778265.db2.gz JKQATOQMHOGUAO-UHFFFAOYSA-N 1 0 249.314 1.908 20 5 BDBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])nc2)CCC1 ZINC000598634207 349005239 /nfs/dbraw/zinc/00/52/39/349005239.db2.gz TWHDKMDXCRERSY-UHFFFAOYSA-N 1 0 236.275 1.544 20 5 BDBDRO CC(C)([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000122295818 362966469 /nfs/dbraw/zinc/96/64/69/362966469.db2.gz WFQQVABREBQGJO-UHFFFAOYSA-N 1 0 237.259 1.062 20 5 BDBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000382408829 350600132 /nfs/dbraw/zinc/60/01/32/350600132.db2.gz CMCFCWJHQHEQJB-IUCAKERBSA-N 1 0 236.275 1.672 20 5 BDBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000129014744 350961273 /nfs/dbraw/zinc/96/12/73/350961273.db2.gz SEEPCEUODUGQAX-CMPLNLGQSA-N 1 0 249.314 1.906 20 5 BDBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293427390 351019046 /nfs/dbraw/zinc/01/90/46/351019046.db2.gz NODQBXKNRHIBBF-JTQLQIEISA-N 1 0 238.287 1.798 20 5 BDBDRO C[C@@H]([NH3+])CCNc1ccc([N+](=O)[O-])cn1 ZINC000063171361 351269823 /nfs/dbraw/zinc/26/98/23/351269823.db2.gz VIXIUAWBNCTCEV-SSDOTTSWSA-N 1 0 210.237 1.139 20 5 BDBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])nc1 ZINC000053297648 356228048 /nfs/dbraw/zinc/22/80/48/356228048.db2.gz IAOGLBOVFBWDKL-VIFPVBQESA-N 1 0 238.291 1.742 20 5 BDBDRO C[C@H]1[C@@H]([NH3+])CCN1c1ncc([N+](=O)[O-])cc1F ZINC000420258574 192188613 /nfs/dbraw/zinc/18/86/13/192188613.db2.gz XZIIMEKUGOHDFH-RCOVLWMOSA-N 1 0 240.238 1.055 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]([NH3+])C1 ZINC000420299401 192206746 /nfs/dbraw/zinc/20/67/46/192206746.db2.gz TZNATWNMPRBLKP-QWRGUYRKSA-N 1 0 249.314 1.997 20 5 BDBDRO C[C@H]([NH3+])CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420365809 192224340 /nfs/dbraw/zinc/22/43/40/192224340.db2.gz SRXHZRCMUBUUMZ-JTQLQIEISA-N 1 0 249.314 1.906 20 5 BDBDRO Cc1ccc([C@H](C)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420409756 192239278 /nfs/dbraw/zinc/23/92/78/192239278.db2.gz QTFTUBUJRDOPOO-UWVGGRQHSA-N 1 0 237.303 1.901 20 5 BDBDRO C[C@@H](CC[NH+](C)C)Nc1ccncc1[N+](=O)[O-] ZINC000049558715 356481894 /nfs/dbraw/zinc/48/18/94/356481894.db2.gz ZRJSEUYVJLYPPE-VIFPVBQESA-N 1 0 238.291 1.742 20 5 BDBDRO C[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000035601391 358002490 /nfs/dbraw/zinc/00/24/90/358002490.db2.gz UYSITTSMCYCVPO-IUCAKERBSA-N 1 0 224.260 1.626 20 5 BDBDRO CC[C@@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000037029652 358064309 /nfs/dbraw/zinc/06/43/09/358064309.db2.gz RGYUCAHUZXHRLD-SECBINFHSA-N 1 0 237.259 1.579 20 5 BDBDRO [NH3+]CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000051355084 358750665 /nfs/dbraw/zinc/75/06/65/358750665.db2.gz XPFZXQHTEDZBOU-UHFFFAOYSA-N 1 0 238.247 1.065 20 5 BDBDRO CC(C)[N@H+](C)CCNc1ccncc1[N+](=O)[O-] ZINC000054128395 359398158 /nfs/dbraw/zinc/39/81/58/359398158.db2.gz OHFMBAVIEBZORC-UHFFFAOYSA-N 1 0 238.291 1.742 20 5 BDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000578887087 366669394 /nfs/dbraw/zinc/66/93/94/366669394.db2.gz JBTRRBUKPGPZNB-UHFFFAOYSA-N 1 0 226.280 1.522 20 5 BDBDRO C[C@@H](C[NH3+])N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000430970905 192899281 /nfs/dbraw/zinc/89/92/81/192899281.db2.gz JBYWIMMVPMTAPX-QMMMGPOBSA-N 1 0 241.266 1.513 20 5 BDBDRO Cc1c(CN2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000036754057 361394808 /nfs/dbraw/zinc/39/48/08/361394808.db2.gz OKBDOCGFLKXEOO-UHFFFAOYSA-N 1 0 249.314 1.826 20 5 BDBDRO C[C@H](Cn1cc([N+](=O)[O-])c(C2CC2)n1)[NH+](C)C ZINC000436195419 201313581 /nfs/dbraw/zinc/31/35/81/201313581.db2.gz RSCJOUQCQWMOEM-MRVPVSSYSA-N 1 0 238.291 1.619 20 5 BDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000050245734 181463058 /nfs/dbraw/zinc/46/30/58/181463058.db2.gz RETLKOGHBQZELS-SECBINFHSA-N 1 0 249.270 1.016 20 5 BDBDRO O=[N+]([O-])c1cccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107574188 369353661 /nfs/dbraw/zinc/35/36/61/369353661.db2.gz PMGMGBRDXBICEO-RYUDHWBXSA-N 1 0 247.298 1.246 20 5 BDBDRO CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000404792911 369435527 /nfs/dbraw/zinc/43/55/27/369435527.db2.gz RYVXPFLOBUQSAV-NWDGAFQWSA-N 1 0 249.314 1.810 20 5 BDBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](O)C1 ZINC000349802608 370505943 /nfs/dbraw/zinc/50/59/43/370505943.db2.gz VOYXZLJJQZSHPZ-KTLBGCOUSA-N 1 0 248.282 1.675 20 5 BDBDRO C[C@H]1C[C@H]([NH3+])CN1Cc1csc([N+](=O)[O-])c1 ZINC000601330861 371750071 /nfs/dbraw/zinc/75/00/71/371750071.db2.gz YUMJDMMMRPXIOO-CBAPKCEASA-N 1 0 241.316 1.578 20 5 BDBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CC[NH2+]C1 ZINC000304382901 371785838 /nfs/dbraw/zinc/78/58/38/371785838.db2.gz RASLYBIBKFDIAI-ZCFIWIBFSA-N 1 0 242.666 1.417 20 5 BDBDRO CC[C@H](C)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439694 371803644 /nfs/dbraw/zinc/80/36/44/371803644.db2.gz LCBYDOABRZYFST-QMMMGPOBSA-N 1 0 226.280 1.559 20 5 BDBDRO CCC[C@@H](C)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602440627 371806653 /nfs/dbraw/zinc/80/66/53/371806653.db2.gz QPUGUUSGDXKUJC-SECBINFHSA-N 1 0 240.307 1.949 20 5 BDBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602788421 371840495 /nfs/dbraw/zinc/84/04/95/371840495.db2.gz PIFAEHYUNYIBGB-RKDXNWHRSA-N 1 0 238.291 1.701 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[NH2+]C2)nc1 ZINC000040434849 373264558 /nfs/dbraw/zinc/26/45/58/373264558.db2.gz NMDKAARFIHULQE-MRVPVSSYSA-N 1 0 222.248 1.154 20 5 BDBDRO O=[N+]([O-])c1cccc(CO[C@H]2CC[NH2+]C2)c1 ZINC000051782401 182945186 /nfs/dbraw/zinc/94/51/86/182945186.db2.gz VNMSHEPJLHXUFJ-NSHDSACASA-N 1 0 222.244 1.473 20 5 BDBDRO CCN(CC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000074534936 169839267 /nfs/dbraw/zinc/83/92/67/169839267.db2.gz MUFNBWGEDDANJD-UHFFFAOYSA-N 1 0 237.259 1.016 20 5 BDBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000050113928 383911515 /nfs/dbraw/zinc/91/15/15/383911515.db2.gz KWXQVRVJFDDMAX-GFCCVEGCSA-N 1 0 236.271 1.552 20 5 BDBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CC[NH2+]C1 ZINC000082304007 384116746 /nfs/dbraw/zinc/11/67/46/384116746.db2.gz CDXDNTIBLCJGHV-QMMMGPOBSA-N 1 0 222.248 1.011 20 5 BDBDRO CCO[C@H]1C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000572823838 384170712 /nfs/dbraw/zinc/17/07/12/384170712.db2.gz ZVYDHRROFSCLBG-PWSUYJOCSA-N 1 0 236.271 1.862 20 5 BDBDRO O=[N+]([O-])c1cnn(CCC[NH+]2CCCCC2)c1 ZINC000187678922 384373847 /nfs/dbraw/zinc/37/38/47/384373847.db2.gz GXINIRQJVYTOAX-UHFFFAOYSA-N 1 0 238.291 1.667 20 5 BDBDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000135310267 384434769 /nfs/dbraw/zinc/43/47/69/384434769.db2.gz NZFCKOXCSVUYPW-JOYOIKCWSA-N 1 0 236.271 1.862 20 5 BDBDRO CCCC[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000176205153 384468354 /nfs/dbraw/zinc/46/83/54/384468354.db2.gz SNRIZOPZXGFJRZ-UHFFFAOYSA-N 1 0 240.307 1.913 20 5 BDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000176243202 384495315 /nfs/dbraw/zinc/49/53/15/384495315.db2.gz NIARPIVSRMCVGK-UHFFFAOYSA-N 1 0 238.291 1.523 20 5 BDBDRO CC[C@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000082687153 384547188 /nfs/dbraw/zinc/54/71/88/384547188.db2.gz FPEIRLCWRCYUMZ-JTQLQIEISA-N 1 0 244.316 1.907 20 5 BDBDRO CC[C@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000104225094 384814577 /nfs/dbraw/zinc/81/45/77/384814577.db2.gz QDMLQEFIJNCGFA-VIFPVBQESA-N 1 0 237.259 1.062 20 5 BDBDRO O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC[NH2+]1 ZINC000236411037 385124023 /nfs/dbraw/zinc/12/40/23/385124023.db2.gz LRAWAWBCABMGGW-NSHDSACASA-N 1 0 235.287 1.436 20 5 BDBDRO Cc1nn(CC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000516766044 385144150 /nfs/dbraw/zinc/14/41/50/385144150.db2.gz BAHZKUPMNTYLKU-UHFFFAOYSA-N 1 0 224.264 1.099 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCOC2)c1 ZINC000109544275 385173430 /nfs/dbraw/zinc/17/34/30/385173430.db2.gz NUWGXNYIVXUKRM-LLVKDONJSA-N 1 0 236.271 1.863 20 5 BDBDRO C[NH+](C)CCSc1ccncc1[N+](=O)[O-] ZINC000361054444 385530965 /nfs/dbraw/zinc/53/09/65/385530965.db2.gz BRYRLSPRXBLHTA-UHFFFAOYSA-N 1 0 227.289 1.644 20 5 BDBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000397830033 385717568 /nfs/dbraw/zinc/71/75/68/385717568.db2.gz CKYFMKGYHVGIAX-UHFFFAOYSA-N 1 0 236.275 1.496 20 5 BDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000396633926 385713521 /nfs/dbraw/zinc/71/35/21/385713521.db2.gz JSXOVQGLPHBIOX-GWCFXTLKSA-N 1 0 249.314 1.825 20 5 BDBDRO [NH3+][C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129205121 385740465 /nfs/dbraw/zinc/74/04/65/385740465.db2.gz JINSCECUYRXTRS-NSHDSACASA-N 1 0 249.270 1.062 20 5 BDBDRO C[C@@H](C[NH3+])CNCc1csc([N+](=O)[O-])c1 ZINC000414870724 385849044 /nfs/dbraw/zinc/84/90/44/385849044.db2.gz CFXLGMXAHXHQSN-ZETCQYMHSA-N 1 0 229.305 1.341 20 5 BDBDRO CC[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000291692474 385917262 /nfs/dbraw/zinc/91/72/62/385917262.db2.gz JCZOBLKJNQBBDR-LBPRGKRZSA-N 1 0 238.287 1.764 20 5 BDBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000357052204 386366322 /nfs/dbraw/zinc/36/63/22/386366322.db2.gz NMVOIPBUYCMGJV-XQRVVYSFSA-N 1 0 247.298 1.512 20 5 BDBDRO [NH3+][C@H](CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414902508 386330275 /nfs/dbraw/zinc/33/02/75/386330275.db2.gz YMJIZZQFRFQJLN-GFCCVEGCSA-N 1 0 235.287 1.422 20 5 BDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000053254198 386557882 /nfs/dbraw/zinc/55/78/82/386557882.db2.gz UANQJEAOVQFHAB-VIFPVBQESA-N 1 0 249.270 1.077 20 5 BDBDRO CC[N@H+](CCO)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000268025946 386771533 /nfs/dbraw/zinc/77/15/33/386771533.db2.gz SUNIMOKOBPQDDQ-JTQLQIEISA-N 1 0 238.287 1.970 20 5 BDBDRO Cc1ccc(CN[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414935971 386819452 /nfs/dbraw/zinc/81/94/52/386819452.db2.gz CSEHMEYRPCNUFC-VIFPVBQESA-N 1 0 223.276 1.340 20 5 BDBDRO Cc1ccc(CN2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000346094241 386978997 /nfs/dbraw/zinc/97/89/97/386978997.db2.gz OFJSWXGNYSDWSX-GFCCVEGCSA-N 1 0 249.314 1.826 20 5 BDBDRO CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000110443402 387061788 /nfs/dbraw/zinc/06/17/88/387061788.db2.gz HUHRWWSQDWZHIN-GFCCVEGCSA-N 1 0 235.287 1.389 20 5 BDBDRO CC(C)[C@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1 ZINC000414800641 387070868 /nfs/dbraw/zinc/07/08/68/387070868.db2.gz SJPOJKLIOCIZGY-GFCCVEGCSA-N 1 0 237.303 1.668 20 5 BDBDRO C[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000035601392 387373815 /nfs/dbraw/zinc/37/38/15/387373815.db2.gz UYSITTSMCYCVPO-BDAKNGLRSA-N 1 0 224.260 1.626 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[NH2+]2)n1 ZINC000162857665 387471597 /nfs/dbraw/zinc/47/15/97/387471597.db2.gz PWKVHXAAGXFADA-SECBINFHSA-N 1 0 236.275 1.462 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]([NH3+])C1CC1 ZINC000414895664 387592154 /nfs/dbraw/zinc/59/21/54/387592154.db2.gz YLWKPTJDBOIWPC-CYBMUJFWSA-N 1 0 249.314 1.730 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000415012626 387663563 /nfs/dbraw/zinc/66/35/63/387663563.db2.gz SYCHEYLUHMZJGT-BZCKNUJPSA-N 1 0 249.314 1.933 20 5 BDBDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000415033206 387673732 /nfs/dbraw/zinc/67/37/32/387673732.db2.gz GSNLMPMFBVYOQU-LBPRGKRZSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@H]([NH2+][C@H]1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296824075 388034819 /nfs/dbraw/zinc/03/48/19/388034819.db2.gz VVSIVIFIMDDGQF-KWQFWETISA-N 1 0 249.270 1.134 20 5 BDBDRO C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000251240111 388273228 /nfs/dbraw/zinc/27/32/28/388273228.db2.gz FJLPFWZZSITCGI-GHMZBOCLSA-N 1 0 249.314 1.950 20 5 BDBDRO CO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000353840897 388373902 /nfs/dbraw/zinc/37/39/02/388373902.db2.gz CPBCIFPJYSDKCC-GFCCVEGCSA-N 1 0 236.271 1.816 20 5 BDBDRO C[C@H](O)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000227962120 388374840 /nfs/dbraw/zinc/37/48/40/388374840.db2.gz PNFZZZQNWTZZBO-JTQLQIEISA-N 1 0 238.287 1.845 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC([NH+](C)C)C2)c1 ZINC000271740222 388399893 /nfs/dbraw/zinc/39/98/93/388399893.db2.gz QGGXCGXBWSEMHT-UHFFFAOYSA-N 1 0 235.287 1.653 20 5 BDBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000131174086 388552591 /nfs/dbraw/zinc/55/25/91/388552591.db2.gz IRCWUEQIKNSBLF-SCZZXKLOSA-N 1 0 238.287 1.935 20 5 BDBDRO C[C@@H](N[C@H](C)C1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422951491 388686765 /nfs/dbraw/zinc/68/67/65/388686765.db2.gz YTIHFZCFPNFKKN-NXEZZACHSA-N 1 0 249.314 1.853 20 5 BDBDRO CC(C)[C@@H](O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000123927723 388737509 /nfs/dbraw/zinc/73/75/09/388737509.db2.gz SHGCWCFIUXLZLO-VIFPVBQESA-N 1 0 244.316 1.763 20 5 BDBDRO CC[C@H](N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422839542 388687032 /nfs/dbraw/zinc/68/70/32/388687032.db2.gz QMFJUPKNJODENC-YPMHNXCESA-N 1 0 249.314 1.997 20 5 BDBDRO Cc1c(CN[C@H]2CCC[C@@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423084142 388687832 /nfs/dbraw/zinc/68/78/32/388687832.db2.gz ZVOJTDFYAXIOOH-RYUDHWBXSA-N 1 0 249.314 1.873 20 5 BDBDRO Cc1c([C@@H](C)NCC[NH3+])cccc1[N+](=O)[O-] ZINC000423183497 388688211 /nfs/dbraw/zinc/68/82/11/388688211.db2.gz MJQCRBXGKKATTD-SECBINFHSA-N 1 0 223.276 1.513 20 5 BDBDRO C[C@H](NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423145937 388688684 /nfs/dbraw/zinc/68/86/84/388688684.db2.gz NEBPCDMUWXDCHZ-JTQLQIEISA-N 1 0 249.314 1.997 20 5 BDBDRO C[NH2+]CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423225028 388689555 /nfs/dbraw/zinc/68/95/55/388689555.db2.gz KZPYXHWXWFCVPI-JTQLQIEISA-N 1 0 237.303 1.773 20 5 BDBDRO C[NH2+]CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423234992 388689806 /nfs/dbraw/zinc/68/98/06/388689806.db2.gz AFVDPPCYDSUHHX-SNVBAGLBSA-N 1 0 237.303 1.335 20 5 BDBDRO C[C@@H](NC[C@@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423314160 388691228 /nfs/dbraw/zinc/69/12/28/388691228.db2.gz GRXMENKDCNIPLY-NOZJJQNGSA-N 1 0 249.314 1.983 20 5 BDBDRO Cc1c([C@H](C)NCC2C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423301597 388691339 /nfs/dbraw/zinc/69/13/39/388691339.db2.gz HXWHDTZAIJATGP-JTQLQIEISA-N 1 0 249.314 1.773 20 5 BDBDRO CC(C)[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000080789526 388713786 /nfs/dbraw/zinc/71/37/86/388713786.db2.gz IHEHWEMIUQQHJX-GFCCVEGCSA-N 1 0 238.287 1.701 20 5 BDBDRO C[C@@](C[NH3+])(NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000430587620 388728985 /nfs/dbraw/zinc/72/89/85/388728985.db2.gz WSCFPEIDUDRNEH-ZDUSSCGKSA-N 1 0 249.314 1.812 20 5 BDBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccc([N+](=O)[O-])c1 ZINC000125813678 388808107 /nfs/dbraw/zinc/80/81/07/388808107.db2.gz JMZIWLJKDCSXLF-ZYHUDNBSSA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000400478542 533461395 /nfs/dbraw/zinc/46/13/95/533461395.db2.gz DYMYFMFANWPCEF-ZYHUDNBSSA-N 1 0 249.314 1.825 20 5 BDBDRO [NH3+]C[C@@H]1CCCCN1c1ccccc1[N+](=O)[O-] ZINC000044559488 132225166 /nfs/dbraw/zinc/22/51/66/132225166.db2.gz VANPZUPHBGDQDH-JTQLQIEISA-N 1 0 235.287 1.912 20 5 BDBDRO C[C@@H]1C[NH2+]CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000054374952 132233690 /nfs/dbraw/zinc/23/36/90/132233690.db2.gz PFQRJZSXRTZUIU-MRVPVSSYSA-N 1 0 239.250 1.532 20 5 BDBDRO [NH3+][C@@H](CNc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000168245290 134160941 /nfs/dbraw/zinc/16/09/41/134160941.db2.gz FEGBGVFNXWHXKE-VIFPVBQESA-N 1 0 222.248 1.139 20 5 BDBDRO C[N@@H+]1CCC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000218041752 134251576 /nfs/dbraw/zinc/25/15/76/134251576.db2.gz UXUWPCGBEKORFK-SECBINFHSA-N 1 0 236.275 1.496 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH3+])[C@H]1C ZINC000261545676 135149973 /nfs/dbraw/zinc/14/99/73/135149973.db2.gz GHGIPLCOLKGJQQ-NXEZZACHSA-N 1 0 235.287 1.829 20 5 BDBDRO Cc1cnc(N2C[C@@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000261541025 135180977 /nfs/dbraw/zinc/18/09/77/135180977.db2.gz IRJCWZGSYQNHFC-RKDXNWHRSA-N 1 0 236.275 1.082 20 5 BDBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261544159 135185682 /nfs/dbraw/zinc/18/56/82/135185682.db2.gz XHEIGYAMHIRQSH-MWLCHTKSSA-N 1 0 235.287 1.374 20 5 BDBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000261549775 135188402 /nfs/dbraw/zinc/18/84/02/135188402.db2.gz KFJSAHYFFSZCSE-ZWNOBZJWSA-N 1 0 249.314 1.416 20 5 BDBDRO [NH3+][C@@H](CNc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000261554617 135194288 /nfs/dbraw/zinc/19/42/88/135194288.db2.gz PBYKTSHCGDGSLN-VIFPVBQESA-N 1 0 239.250 1.883 20 5 BDBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@H]2C)ncc1[N+](=O)[O-] ZINC000261555564 135195416 /nfs/dbraw/zinc/19/54/16/135195416.db2.gz PXPFTPRTYZGORG-RKDXNWHRSA-N 1 0 236.275 1.224 20 5 BDBDRO [NH3+]C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261563002 135205569 /nfs/dbraw/zinc/20/55/69/135205569.db2.gz WUSSQFCZXNLDDQ-MRVPVSSYSA-N 1 0 239.250 1.519 20 5 BDBDRO O=[N+]([O-])c1ccccc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261572174 135213949 /nfs/dbraw/zinc/21/39/49/135213949.db2.gz LMTPDEYXUUKEBN-GHMZBOCLSA-N 1 0 247.298 1.641 20 5 BDBDRO C[C@H]([NH3+])[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000261578903 135220165 /nfs/dbraw/zinc/22/01/65/135220165.db2.gz LZOIZHQTPIZHAU-IUCAKERBSA-N 1 0 223.276 1.420 20 5 BDBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000164604299 135426854 /nfs/dbraw/zinc/42/68/54/135426854.db2.gz YBJJJBUQSIQQGF-YUMQZZPRSA-N 1 0 244.316 1.905 20 5 BDBDRO O=C(C[C@H]1CC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000089741330 135540523 /nfs/dbraw/zinc/54/05/23/135540523.db2.gz VOHHMDBWFGZDOC-SECBINFHSA-N 1 0 249.270 1.533 20 5 BDBDRO [NH3+][C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000346630514 135944113 /nfs/dbraw/zinc/94/41/13/135944113.db2.gz CMBJLIZPIDIVGI-KTLBGCOUSA-N 1 0 247.298 1.641 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]CC1 ZINC000346691034 135963835 /nfs/dbraw/zinc/96/38/35/135963835.db2.gz VNOQUZZCRCKCAV-UHFFFAOYSA-N 1 0 235.287 1.308 20 5 BDBDRO CC[C@H]1CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348389714 136075929 /nfs/dbraw/zinc/07/59/29/136075929.db2.gz HGPZVZDYNYVGDQ-ONGXEEELSA-N 1 0 238.291 1.570 20 5 BDBDRO C[C@H](O)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000227961836 398006186 /nfs/dbraw/zinc/00/61/86/398006186.db2.gz LVEPTFSSBFMTAI-JTQLQIEISA-N 1 0 238.287 1.845 20 5 BDBDRO [NH3+]CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000211265288 398100035 /nfs/dbraw/zinc/10/00/35/398100035.db2.gz UICVKGYQCWVMFH-SREVYHEPSA-N 1 0 249.270 1.073 20 5 BDBDRO C[C@H](CNc1ncccc1[N+](=O)[O-])C[NH+](C)C ZINC000291759121 398103316 /nfs/dbraw/zinc/10/33/16/398103316.db2.gz GKLHXXPWVAGNKH-SECBINFHSA-N 1 0 238.291 1.599 20 5 BDBDRO C[C@@H](CNc1ncccc1[N+](=O)[O-])C[NH+](C)C ZINC000291759123 398103718 /nfs/dbraw/zinc/10/37/18/398103718.db2.gz GKLHXXPWVAGNKH-VIFPVBQESA-N 1 0 238.291 1.599 20 5 BDBDRO CC[NH2+]CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000091558632 170116125 /nfs/dbraw/zinc/11/61/25/170116125.db2.gz LCOOLLKZOJIQHW-UHFFFAOYSA-N 1 0 241.295 1.141 20 5 BDBDRO CC[NH2+]CCNc1ncc([N+](=O)[O-])s1 ZINC000226779696 170116256 /nfs/dbraw/zinc/11/62/56/170116256.db2.gz LWNFFPWPYXJCJG-UHFFFAOYSA-N 1 0 216.266 1.073 20 5 BDBDRO CC[NH2+]CCNc1ncc([N+](=O)[O-])cc1C ZINC000054267381 170116385 /nfs/dbraw/zinc/11/63/85/170116385.db2.gz GYOVGUOBAZZYDH-UHFFFAOYSA-N 1 0 224.264 1.320 20 5 BDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000058233543 172340743 /nfs/dbraw/zinc/34/07/43/172340743.db2.gz RVMXCRVHZITTKU-NSHDSACASA-N 1 0 249.270 1.029 20 5 BDBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000058233599 172342277 /nfs/dbraw/zinc/34/22/77/172342277.db2.gz HQXWKGCYOYTBLB-LLVKDONJSA-N 1 0 249.270 1.029 20 5 BDBDRO C[N@@H+]1CC[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000037647734 173147948 /nfs/dbraw/zinc/14/79/48/173147948.db2.gz HYHZYNZTYYMIOG-SECBINFHSA-N 1 0 236.275 1.353 20 5 BDBDRO C[N@H+]1C[C@H]2CN(c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000278845450 173200398 /nfs/dbraw/zinc/20/03/98/173200398.db2.gz WUAQFIWPHQBFPX-PHIMTYICSA-N 1 0 247.298 1.593 20 5 BDBDRO C[NH2+]C(C)(C)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000271736463 173320274 /nfs/dbraw/zinc/32/02/74/173320274.db2.gz OWFOHPWZJZTYOS-UHFFFAOYSA-N 1 0 238.291 1.708 20 5 BDBDRO C[NH2+]C(C)(C)CNc1nccc(C)c1[N+](=O)[O-] ZINC000269922968 173320398 /nfs/dbraw/zinc/32/03/98/173320398.db2.gz AXJJDNUNUJRPQS-UHFFFAOYSA-N 1 0 238.291 1.708 20 5 BDBDRO C[NH2+]CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000262220707 173340035 /nfs/dbraw/zinc/34/00/35/173340035.db2.gz PDIWCLYNKHVQTJ-UHFFFAOYSA-N 1 0 249.270 1.093 20 5 BDBDRO C[NH2+]CCN(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000148420099 173354275 /nfs/dbraw/zinc/35/42/75/173354275.db2.gz HVCYXATVLYVRAX-UHFFFAOYSA-N 1 0 244.682 1.299 20 5 BDBDRO C[NH2+]CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000054244782 173356852 /nfs/dbraw/zinc/35/68/52/173356852.db2.gz LIKAFIAULFIYNO-UHFFFAOYSA-N 1 0 213.212 1.365 20 5 BDBDRO C[NH2+]C[C@H](C)CNc1nc(C)ccc1[N+](=O)[O-] ZINC000129572075 173375394 /nfs/dbraw/zinc/37/53/94/173375394.db2.gz VGZRRGCTJHOOBT-QMMMGPOBSA-N 1 0 238.291 1.566 20 5 BDBDRO COCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176766 174339782 /nfs/dbraw/zinc/33/97/82/174339782.db2.gz FUVPWQZQENREOM-SECBINFHSA-N 1 0 224.260 1.892 20 5 BDBDRO C[C@@H]([NH3+])CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000074533050 175806753 /nfs/dbraw/zinc/80/67/53/175806753.db2.gz ASYNDMHMOCPHHW-ILFKPUCNSA-N 1 0 249.270 1.071 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000037981865 176019140 /nfs/dbraw/zinc/01/91/40/176019140.db2.gz SMFYDABDFPMSLW-JTQLQIEISA-N 1 0 235.287 1.561 20 5 BDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCn1ccc([N+](=O)[O-])n1 ZINC000123193604 176200044 /nfs/dbraw/zinc/20/00/44/176200044.db2.gz OPORJVWOOICZDP-NXEZZACHSA-N 1 0 238.291 1.664 20 5 BDBDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000147764926 176481577 /nfs/dbraw/zinc/48/15/77/176481577.db2.gz CQBQEXWLWQKIDL-GXSJLCMTSA-N 1 0 236.271 1.862 20 5 BDBDRO C[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000062889995 176527285 /nfs/dbraw/zinc/52/72/85/176527285.db2.gz GZSWBNRIFZSCLR-GFCCVEGCSA-N 1 0 249.270 1.533 20 5 BDBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccccc1[N+](=O)[O-] ZINC000131734771 177324838 /nfs/dbraw/zinc/32/48/38/177324838.db2.gz OQOZEKYYOLCFFT-QWRGUYRKSA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000229600919 177394879 /nfs/dbraw/zinc/39/48/79/177394879.db2.gz PKYQVRANEWEJAD-SCZZXKLOSA-N 1 0 236.275 1.542 20 5 BDBDRO Cc1ccc([C@H](C)NC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000570918416 323074311 /nfs/dbraw/zinc/07/43/11/323074311.db2.gz JAMYAIBJZIJTRM-VIFPVBQESA-N 1 0 235.287 1.526 20 5 BDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000563080396 323088009 /nfs/dbraw/zinc/08/80/09/323088009.db2.gz FBTGNMIREXDTJH-UHFFFAOYSA-N 1 0 226.280 1.522 20 5 BDBDRO C[C@H](C[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000111302888 323158644 /nfs/dbraw/zinc/15/86/44/323158644.db2.gz PEODLOBASDGCFG-VUHVRTRXSA-N 1 0 249.270 1.071 20 5 BDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cccc([N+](=O)[O-])c1 ZINC000069134175 324929030 /nfs/dbraw/zinc/92/90/30/324929030.db2.gz WJZMWHTZHLFSRI-PHIMTYICSA-N 1 0 249.314 1.777 20 5 BDBDRO C[C@@H](O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000078780270 325431375 /nfs/dbraw/zinc/43/13/75/325431375.db2.gz BDBUTAJYUUQBSD-SECBINFHSA-N 1 0 224.260 1.455 20 5 BDBDRO C[C@@H](O)[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000564848498 325816431 /nfs/dbraw/zinc/81/64/31/325816431.db2.gz DIQFHSKVLOWFAL-NXEZZACHSA-N 1 0 238.287 1.496 20 5 BDBDRO [NH3+]C[C@H]1CC[C@H](Cn2nccc2[N+](=O)[O-])CC1 ZINC000567808037 326260621 /nfs/dbraw/zinc/26/06/21/326260621.db2.gz DBYPFGPQMSZBGY-MGCOHNPYSA-N 1 0 238.291 1.556 20 5 BDBDRO O=[N+]([O-])c1cn(CCC2CC[NH2+]CC2)cn1 ZINC000567811072 326260791 /nfs/dbraw/zinc/26/07/91/326260791.db2.gz QTNJSZLHCXSDHP-UHFFFAOYSA-N 1 0 224.264 1.181 20 5 BDBDRO CC(C)(CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000397225084 488049018 /nfs/dbraw/zinc/04/90/18/488049018.db2.gz ILKIRQCNUQIBDW-UHFFFAOYSA-N 1 0 241.247 1.045 20 5 BDBDRO C[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000053204772 536366288 /nfs/dbraw/zinc/36/62/88/536366288.db2.gz DKTBGORNIMLHLX-SECBINFHSA-N 1 0 236.275 1.178 20 5 BDBDRO CN(CC[NH3+])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000086549590 536368814 /nfs/dbraw/zinc/36/88/14/536368814.db2.gz JFJXJEMSKNQGEI-UHFFFAOYSA-N 1 0 243.694 1.639 20 5 BDBDRO CC1=NO[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000895312585 583648733 /nfs/dbraw/zinc/64/87/33/583648733.db2.gz YWGIIYRGWZINOU-GFCCVEGCSA-N 1 0 249.270 1.849 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCSc1ccccc1 ZINC000899861830 584242483 /nfs/dbraw/zinc/24/24/83/584242483.db2.gz ZNTZACFGRCVORP-UHFFFAOYSA-N 1 0 226.301 1.645 20 5 BDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])N1CCc2ccccc21 ZINC000899869646 584244537 /nfs/dbraw/zinc/24/45/37/584244537.db2.gz HXDAFGIQQLUTGP-NSHDSACASA-N 1 0 249.314 1.304 20 5 BDBDRO O=[N+]([O-])CCNCc1ccc(F)c(F)c1 ZINC000899876898 584245132 /nfs/dbraw/zinc/24/51/32/584245132.db2.gz VLQGZGVAEGJMDD-UHFFFAOYSA-N 1 0 216.187 1.331 20 5 BDBDRO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761076104 584908870 /nfs/dbraw/zinc/90/88/70/584908870.db2.gz HWNSWHRWBVPBLQ-NSHDSACASA-N 1 0 249.314 1.731 20 5 BDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]3C[C@H]32)c1 ZINC000761098945 585409240 /nfs/dbraw/zinc/40/92/40/585409240.db2.gz XEANUIGTBHDPDN-ZWKOPEQDSA-N 1 0 248.282 1.722 20 5 BDBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000787736122 585915058 /nfs/dbraw/zinc/91/50/58/585915058.db2.gz ILQNLGLDNOEBMW-NSHDSACASA-N 1 0 230.308 1.136 20 5 BDBDRO O=[N+]([O-])CCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000791052492 585972613 /nfs/dbraw/zinc/97/26/13/585972613.db2.gz OLFKNUXMSDNXHY-LBPRGKRZSA-N 1 0 241.335 1.213 20 5 BDBDRO CCSCC[C@H](C)[N@H+](C)CC[N+](=O)[O-] ZINC000798197246 586140198 /nfs/dbraw/zinc/14/01/98/586140198.db2.gz PWWUGCQOFFRKNZ-VIFPVBQESA-N 1 0 220.338 1.727 20 5 BDBDRO Cc1nn(CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000829595358 587505381 /nfs/dbraw/zinc/50/53/81/587505381.db2.gz FFLOWMMTNRKGLT-UHFFFAOYSA-N 1 0 224.264 1.196 20 5 BDBDRO C[NH2+]CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841034608 587937150 /nfs/dbraw/zinc/93/71/50/587937150.db2.gz ARTPKMGDARQTRA-UHFFFAOYSA-N 1 0 243.694 1.557 20 5 BDBDRO CCN(CCSC)Cn1nccc1[N+](=O)[O-] ZINC000842644783 588048463 /nfs/dbraw/zinc/04/84/63/588048463.db2.gz RAPUXVRDRUJWFG-UHFFFAOYSA-N 1 0 244.320 1.434 20 5 BDBDRO CC[C@@H](C(=O)OCCC[N+](=O)[O-])[NH+](CC)CC ZINC000860921893 589132895 /nfs/dbraw/zinc/13/28/95/589132895.db2.gz ZQLVIOJAXUTFMP-JTQLQIEISA-N 1 0 246.307 1.317 20 5 BDBDRO C[C@@H]([NH3+])CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000863653837 589308243 /nfs/dbraw/zinc/30/82/43/589308243.db2.gz QOIIRHMWXQFKND-OKPNEXGHSA-N 1 0 249.314 1.887 20 5 BDBDRO C[NH2+][C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000129132442 591259434 /nfs/dbraw/zinc/25/94/34/591259434.db2.gz DYAUCKMNOKVJCD-SECBINFHSA-N 1 0 236.275 1.096 20 5 BDBDRO C[C@@H](CO)N(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000135507535 592015280 /nfs/dbraw/zinc/01/52/80/592015280.db2.gz ACNPDGKAIIQPPK-QMMMGPOBSA-N 1 0 242.250 1.547 20 5 BDBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000310238338 635444719 /nfs/dbraw/zinc/44/47/19/635444719.db2.gz BFDWUVMAGOINCD-QMMMGPOBSA-N 1 0 237.259 1.014 20 5 BDBDRO CN(c1ncc(Cl)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000149445856 633949189 /nfs/dbraw/zinc/94/91/89/633949189.db2.gz IWSFUESVZXBTEQ-UHFFFAOYSA-N 1 0 242.666 1.051 20 5 BDBDRO CO[C@H]1CC[N@H+](CC[N+](=O)[O-])CC1(C)C ZINC000930643293 633973679 /nfs/dbraw/zinc/97/36/79/633973679.db2.gz UICFLVKPHIGHKZ-VIFPVBQESA-N 1 0 216.281 1.010 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCCCCCCC1 ZINC000930645922 633978581 /nfs/dbraw/zinc/97/85/81/633978581.db2.gz ADDJZPNUURMXLY-UHFFFAOYSA-N 1 0 200.282 1.919 20 5 BDBDRO O=[N+]([O-])c1ccnn1C[C@@H]1CCCC[NH2+]C1 ZINC000899624302 637101767 /nfs/dbraw/zinc/10/17/67/637101767.db2.gz OXFKXHAJRCYFHG-SECBINFHSA-N 1 0 224.264 1.181 20 5 BDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])N(C)c1ccccc1 ZINC000905050665 637568293 /nfs/dbraw/zinc/56/82/93/637568293.db2.gz WENZAVYGHONBMY-NSHDSACASA-N 1 0 237.303 1.378 20 5 BDBDRO CCc1nc(CC[NH2+]CC[N+](=O)[O-])cs1 ZINC000905083049 637581424 /nfs/dbraw/zinc/58/14/24/637581424.db2.gz OYFLEWKRJQISJS-UHFFFAOYSA-N 1 0 229.305 1.114 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000905071698 637603460 /nfs/dbraw/zinc/60/34/60/637603460.db2.gz PRCBGEIBZIQYFB-WDEREUQCSA-N 1 0 224.235 1.548 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C/C=C\c1ccccc1 ZINC000905112031 637619013 /nfs/dbraw/zinc/61/90/13/637619013.db2.gz XMZXFDSQDGUTKJ-DAXSKMNVSA-N 1 0 206.245 1.566 20 5 BDBDRO CCN(C)c1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905093692 637632199 /nfs/dbraw/zinc/63/21/99/637632199.db2.gz BFQUFLVMBGWCLQ-UHFFFAOYSA-N 1 0 237.303 1.509 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000905138096 637646325 /nfs/dbraw/zinc/64/63/25/637646325.db2.gz OREXPUARIGUQAG-MNOVXSKESA-N 1 0 212.293 1.822 20 5 BDBDRO Cc1ccc(O[C@H](C)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905140553 637649663 /nfs/dbraw/zinc/64/96/63/637649663.db2.gz WMULRUXRIFGYRN-LLVKDONJSA-N 1 0 238.287 1.629 20 5 BDBDRO CCS[C@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905147728 637657914 /nfs/dbraw/zinc/65/79/14/637657914.db2.gz LTORXYPZGWODJW-ZJUUUORDSA-N 1 0 232.349 1.917 20 5 BDBDRO COc1cccc2c1CC[C@H]2[NH2+]CC[N+](=O)[O-] ZINC000905167885 637680224 /nfs/dbraw/zinc/68/02/24/637680224.db2.gz LKKJRXVDMQHMGY-LLVKDONJSA-N 1 0 236.271 1.549 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000905250400 637709051 /nfs/dbraw/zinc/70/90/51/637709051.db2.gz YJDKRKYNBCEOTC-SSDOTTSWSA-N 1 0 208.208 1.288 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000905250401 637709519 /nfs/dbraw/zinc/70/95/19/637709519.db2.gz YJDKRKYNBCEOTC-ZETCQYMHSA-N 1 0 208.208 1.288 20 5 BDBDRO CO[C@H](C[NH2+]CC[N+](=O)[O-])Cc1ccccc1 ZINC000905271357 637729963 /nfs/dbraw/zinc/72/99/63/637729963.db2.gz BLIUADKUOADZKV-LBPRGKRZSA-N 1 0 238.287 1.110 20 5 BDBDRO CC[C@H](COCC(F)(F)F)[NH2+]CC[N+](=O)[O-] ZINC000905272580 637732404 /nfs/dbraw/zinc/73/24/04/637732404.db2.gz HSHRVAVUIFUDJO-SSDOTTSWSA-N 1 0 244.213 1.210 20 5 BDBDRO CCC(C)(C)OCC[NH2+]CC[N+](=O)[O-] ZINC000905285589 637737437 /nfs/dbraw/zinc/73/74/37/637737437.db2.gz UNZACUBYOYRRBF-UHFFFAOYSA-N 1 0 204.270 1.058 20 5 BDBDRO CC[C@@H](C[NH2+]CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000905558511 637846637 /nfs/dbraw/zinc/84/66/37/637846637.db2.gz RUBLYXFIIOCCEL-VIFPVBQESA-N 1 0 246.307 1.221 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000905675421 637886835 /nfs/dbraw/zinc/88/68/35/637886835.db2.gz PAFHHFBVGCSMMU-MRVPVSSYSA-N 1 0 222.235 1.678 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000930714335 639875491 /nfs/dbraw/zinc/87/54/91/639875491.db2.gz DENPJCLBBWVANX-NWDGAFQWSA-N 1 0 236.271 1.071 20 5 BDBDRO CC(C)O[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930850836 639945691 /nfs/dbraw/zinc/94/56/91/639945691.db2.gz WOSRYXROGILKOR-JTQLQIEISA-N 1 0 216.281 1.153 20 5 BDBDRO C[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000035792389 639946274 /nfs/dbraw/zinc/94/62/74/639946274.db2.gz PGSAGHXPDZKDFA-SFYZADRCSA-N 1 0 237.259 1.119 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](CCF)C1 ZINC000931015600 640020563 /nfs/dbraw/zinc/02/05/63/640020563.db2.gz RGHSFDAFIJTRFS-SECBINFHSA-N 1 0 204.245 1.335 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000931059680 640048917 /nfs/dbraw/zinc/04/89/17/640048917.db2.gz OCFQNDADXWTATJ-LLVKDONJSA-N 1 0 212.293 1.775 20 5 BDBDRO CC1(C)CCC[C@@](CO)([NH2+]CC[N+](=O)[O-])C1 ZINC000931177828 640091344 /nfs/dbraw/zinc/09/13/44/640091344.db2.gz KPESPJHSCDNXND-LLVKDONJSA-N 1 0 230.308 1.184 20 5 BDBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000932489770 640554052 /nfs/dbraw/zinc/55/40/52/640554052.db2.gz SEBMWZZIQQVCGO-WPRPVWTQSA-N 1 0 237.259 1.114 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932887312 640640730 /nfs/dbraw/zinc/64/07/30/640640730.db2.gz OGATXNXUBCVOJZ-VXGBXAGGSA-N 1 0 224.304 1.774 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933913652 640788769 /nfs/dbraw/zinc/78/87/69/640788769.db2.gz UUXLVMPETKLDCG-SNVBAGLBSA-N 1 0 230.333 1.481 20 5 BDBDRO CN(CC[NH3+])c1c(Cl)cccc1[N+](=O)[O-] ZINC000234281883 642331649 /nfs/dbraw/zinc/33/16/49/642331649.db2.gz XUVKYQIOZRIMHY-UHFFFAOYSA-N 1 0 229.667 1.643 20 5 BDBDRO [NH3+]C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000050245177 643657478 /nfs/dbraw/zinc/65/74/78/643657478.db2.gz NKKASROMBALOEN-LLVKDONJSA-N 1 0 235.287 1.375 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](CO)C2)cc1 ZINC000923008580 644232348 /nfs/dbraw/zinc/23/23/48/644232348.db2.gz QJAFRSGDONIISO-XYPYZODXSA-N 1 0 236.271 1.455 20 5 BDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc([N+](=O)[O-])nc1 ZINC000086471300 644467106 /nfs/dbraw/zinc/46/71/06/644467106.db2.gz XLDHWURQCDIMMW-DTWKUNHWSA-N 1 0 236.275 1.176 20 5 BDBDRO C[C@@H](O)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000087129583 644479874 /nfs/dbraw/zinc/47/98/74/644479874.db2.gz QAXMMDQTKQKQNP-DTWKUNHWSA-N 1 0 224.260 1.454 20 5 BDBDRO Cc1ccc(CN(CC[N+](=O)[O-])C2CC2)o1 ZINC000929282051 646060513 /nfs/dbraw/zinc/06/05/13/646060513.db2.gz GCIHNFFTQUGVCB-UHFFFAOYSA-N 1 0 224.260 1.829 20 5 BDBDRO C[C@@H](O)C[N@H+](CC[N+](=O)[O-])C1CCCCC1 ZINC000929528677 646174772 /nfs/dbraw/zinc/17/47/72/646174772.db2.gz FKFXCQPCTRZDRR-SNVBAGLBSA-N 1 0 230.308 1.279 20 5 BDBDRO CC(C)OC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929600051 646192561 /nfs/dbraw/zinc/19/25/61/646192561.db2.gz LEFGRDCETNGCHC-UHFFFAOYSA-N 1 0 216.281 1.153 20 5 BDBDRO CC[C@H]1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000929667468 646231704 /nfs/dbraw/zinc/23/17/04/646231704.db2.gz KPFFOTQWNCLZSE-JTQLQIEISA-N 1 0 200.282 1.775 20 5 BDBDRO CC[C@H]1CCCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929694890 646244175 /nfs/dbraw/zinc/24/41/75/646244175.db2.gz DEBCEUYJONAFJM-JTQLQIEISA-N 1 0 200.282 1.918 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC2(CCCC2)CC1 ZINC000929690291 646245507 /nfs/dbraw/zinc/24/55/07/646245507.db2.gz IMMZLNHGEJAGGB-UHFFFAOYSA-N 1 0 212.293 1.919 20 5 BDBDRO CC(C)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929719306 646271704 /nfs/dbraw/zinc/27/17/04/646271704.db2.gz MXXYPXGFDMUOPC-UHFFFAOYSA-N 1 0 200.282 1.631 20 5 BDBDRO C[C@H]1C[NH+](CC[N+](=O)[O-])C[C@H](C)S1 ZINC000929724896 646273276 /nfs/dbraw/zinc/27/32/76/646273276.db2.gz FECSODQFASXJST-YUMQZZPRSA-N 1 0 204.295 1.089 20 5 BDBDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000925595069 646350677 /nfs/dbraw/zinc/35/06/77/646350677.db2.gz QSWGQBQNQSTWHJ-LBPRGKRZSA-N 1 0 249.314 1.825 20 5 BDBDRO O=[N+]([O-])CCN1CCOC2(C1)CCCCCC2 ZINC000929840845 646352034 /nfs/dbraw/zinc/35/20/34/646352034.db2.gz IALWKWBOGKDNED-UHFFFAOYSA-N 1 0 242.319 1.688 20 5 BDBDRO O=[N+]([O-])CCN(CCCO)Cc1ccccc1 ZINC000929854655 646360792 /nfs/dbraw/zinc/36/07/92/646360792.db2.gz NRXFVYUZTKGHCK-UHFFFAOYSA-N 1 0 238.287 1.148 20 5 BDBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC[N+](=O)[O-] ZINC000930193648 646485723 /nfs/dbraw/zinc/48/57/23/646485723.db2.gz SJQMDZOBWZJMPN-IUCAKERBSA-N 1 0 200.282 1.677 20 5 BDBDRO O=[N+]([O-])c1cccc(F)c1NC[C@H]1CCC[NH2+]1 ZINC000236161057 711672102 /nfs/dbraw/zinc/67/21/02/711672102.db2.gz ZMMYRGKKVMLWFI-MRVPVSSYSA-N 1 0 239.250 1.898 20 5 BDBDRO C[C@]12C[NH2+]C[C@H]1CN(c1ccc([N+](=O)[O-])nc1)C2 ZINC000703557669 712078719 /nfs/dbraw/zinc/07/87/19/712078719.db2.gz FNIXDRZRYXXYAH-JOYOIKCWSA-N 1 0 248.286 1.036 20 5 BDBDRO C[N@@H+]1CC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000712597191 712435869 /nfs/dbraw/zinc/43/58/69/712435869.db2.gz WZOQMFMYHBNARM-VIFPVBQESA-N 1 0 221.260 1.711 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CC(F)C2)C1 ZINC001168956936 969306884 /nfs/dbraw/zinc/30/68/84/969306884.db2.gz CVTZFIRIHZQCSZ-PRWFHZCQSA-N 1 0 216.256 1.522 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(CO)CCC2)C1 ZINC001168965992 969317589 /nfs/dbraw/zinc/31/75/89/969317589.db2.gz FKBIPISKACWEFT-WDEREUQCSA-N 1 0 242.319 1.184 20 5 BDBDRO COC1CC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169004970 969328557 /nfs/dbraw/zinc/32/85/57/969328557.db2.gz SYMIMYKOGPTWPL-UZEXVOJHSA-N 1 0 242.319 1.446 20 5 BDBDRO CCN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005758 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BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)nc1 ZINC001226694726 975029049 /nfs/dbraw/zinc/02/90/49/975029049.db2.gz PHLPTUINLQUAIR-VIFPVBQESA-N 1 0 213.276 1.694 20 5 BDBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001226710881 975042472 /nfs/dbraw/zinc/04/24/72/975042472.db2.gz WYFRHQWDHRPUKX-NSHDSACASA-N 1 0 249.270 1.463 20 5 BDBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(=O)C1 ZINC001173215679 975068259 /nfs/dbraw/zinc/06/82/59/975068259.db2.gz YMGLWDFHFOEFJP-SECBINFHSA-N 1 0 248.282 1.847 20 5 BDBDRO C[C@@H](O)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213755 975080763 /nfs/dbraw/zinc/08/07/63/975080763.db2.gz HQKFEIBALPBSLY-NXEZZACHSA-N 1 0 238.287 1.496 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cncc(F)c1 ZINC001226840003 975113485 /nfs/dbraw/zinc/11/34/85/975113485.db2.gz OVKHQTFAEWFOGR-VIFPVBQESA-N 1 0 213.276 1.694 20 5 BDBDRO Cc1cnc(O[C@H](C)C[N+](C)(C)C)nc1 ZINC001227055721 975244456 /nfs/dbraw/zinc/24/44/56/975244456.db2.gz JVVCPXRFYCYHBG-SNVBAGLBSA-N 1 0 210.301 1.259 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cncc([N+](=O)[O-])c1 ZINC001227991584 975838304 /nfs/dbraw/zinc/83/83/04/975838304.db2.gz YKGKMSSZACNJHE-VIFPVBQESA-N 1 0 240.283 1.463 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1nccc(=S)[nH]1 ZINC001228128624 975923883 /nfs/dbraw/zinc/92/38/83/975923883.db2.gz MRRVQMPVJUHFRR-MRVPVSSYSA-O 1 0 228.341 1.239 20 5 BDBDRO Cc1ncc(Cl)c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001228288086 976061423 /nfs/dbraw/zinc/06/14/23/976061423.db2.gz DOVQEBBXCZQAQP-QMMMGPOBSA-N 1 0 244.746 1.912 20 5 BDBDRO CCc1c[nH]c(=O)nc1O[C@@H](C)C[N+](C)(C)C ZINC001228416398 976196296 /nfs/dbraw/zinc/19/62/96/976196296.db2.gz RRVNNELXFLBHLT-VIFPVBQESA-O 1 0 240.327 1.218 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2ccn(C)c21 ZINC001229020480 976661178 /nfs/dbraw/zinc/66/11/78/976661178.db2.gz SXCPABCJVYMNJB-JTQLQIEISA-N 1 0 249.338 1.442 20 5 BDBDRO CCc1cnnc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001229057298 976683197 /nfs/dbraw/zinc/68/31/97/976683197.db2.gz XBVLJHWQNKLTPH-JTQLQIEISA-N 1 0 224.328 1.513 20 5 BDBDRO C[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229398678 976863197 /nfs/dbraw/zinc/86/31/97/976863197.db2.gz YBKKXYRDLLDMJX-SECBINFHSA-N 1 0 238.243 1.383 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c2cccnc21 ZINC001230335240 977187081 /nfs/dbraw/zinc/18/70/81/977187081.db2.gz QRZMKBBIFHOSPJ-SECBINFHSA-N 1 0 235.311 1.431 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CC2CCC1CC2 ZINC001335985467 977400519 /nfs/dbraw/zinc/40/05/19/977400519.db2.gz FREQUMKGXDQCBJ-VQXHTEKXSA-N 1 0 212.293 1.679 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(N)n[nH]c2c1 ZINC001233564265 978625665 /nfs/dbraw/zinc/62/56/65/978625665.db2.gz LMNDUIPHMZMJPO-VIFPVBQESA-N 1 0 249.338 1.619 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2nccn2c1 ZINC001233756044 978691075 /nfs/dbraw/zinc/69/10/75/978691075.db2.gz WHSWACUVSBPRCA-LLVKDONJSA-N 1 0 234.323 1.808 20 5 BDBDRO Cc1c(=O)cc[nH]c1O[C@H](C)C[N+](C)(C)C ZINC001234175895 978785200 /nfs/dbraw/zinc/78/52/00/978785200.db2.gz BJELLGMUWUMBDJ-SECBINFHSA-O 1 0 225.312 1.569 20 5 BDBDRO O=[N+]([O-])c1cnn(C[C@H]2CCCC[NH2+]C2)c1 ZINC000697000857 987342496 /nfs/dbraw/zinc/34/24/96/987342496.db2.gz QTDMPRASOVQSNL-VIFPVBQESA-N 1 0 224.264 1.181 20 5 BDBDRO CCO[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C1(CC)CC ZINC001262262449 992825756 /nfs/dbraw/zinc/82/57/56/992825756.db2.gz OMELLJHGCQDTRC-MNOVXSKESA-N 1 0 244.335 1.837 20 5 BDBDRO Cc1ccc2c(c1)[C@H]([NH2+]CC[N+](=O)[O-])CC2 ZINC001262559254 992913928 /nfs/dbraw/zinc/91/39/28/992913928.db2.gz GHOPITAQDAXPET-GFCCVEGCSA-N 1 0 220.272 1.849 20 5 BDBDRO Cc1cc(NC(=O)[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC001263329260 993232522 /nfs/dbraw/zinc/23/25/22/993232522.db2.gz AVDAXAVOLHEQSD-ZETCQYMHSA-N 1 0 223.232 1.189 20 5 BDBDRO CC[NH2+]CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000086003055 136211858 /nfs/dbraw/zinc/21/18/58/136211858.db2.gz MTZGKUSHAWGLSV-UHFFFAOYSA-N 1 0 224.264 1.320 20 5 BDBDRO Cc1cc(NCC[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000086003135 136211877 /nfs/dbraw/zinc/21/18/77/136211877.db2.gz JHWGDJOBPNURDW-MRVPVSSYSA-N 1 0 224.264 1.447 20 5 BDBDRO Cc1cc(N(C)[C@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000092027680 178102648 /nfs/dbraw/zinc/10/26/48/178102648.db2.gz NSLCITACTBGWQM-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO Cc1cc(NCC2([NH3+])CCC2)ncc1[N+](=O)[O-] ZINC000235866693 178157038 /nfs/dbraw/zinc/15/70/38/178157038.db2.gz BJQYOLPFODUFCZ-UHFFFAOYSA-N 1 0 236.275 1.592 20 5 BDBDRO Cc1cc(NC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000133825469 178170559 /nfs/dbraw/zinc/17/05/59/178170559.db2.gz NHVDXNRYSMGYTQ-JTQLQIEISA-N 1 0 235.287 1.925 20 5 BDBDRO Cc1ccc(C[NH2+][C@@H](C)CO)cc1[N+](=O)[O-] ZINC000037258317 361784654 /nfs/dbraw/zinc/78/46/54/361784654.db2.gz CTINPSMKNCXUQL-VIFPVBQESA-N 1 0 224.260 1.374 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[NH+](C)C ZINC000052812236 178274133 /nfs/dbraw/zinc/27/41/33/178274133.db2.gz LOKDUCJBIGPNQY-UHFFFAOYSA-N 1 0 238.291 1.662 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H](C)O ZINC000187823770 178270915 /nfs/dbraw/zinc/27/09/15/178270915.db2.gz JYZZTKGBHAMDMD-SNVBAGLBSA-N 1 0 238.287 1.716 20 5 BDBDRO Cc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000050228846 178396691 /nfs/dbraw/zinc/39/66/91/178396691.db2.gz IPMSXXHKQYCCGW-JTQLQIEISA-N 1 0 249.270 1.076 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[NH2+]CC2)n1 ZINC000036245118 342793288 /nfs/dbraw/zinc/79/32/88/342793288.db2.gz ROEUONDTFAMNJV-UHFFFAOYSA-N 1 0 236.275 1.098 20 5 BDBDRO CC(C)(C)[NH2+]CCNc1cccnc1[N+](=O)[O-] ZINC000609039071 342858800 /nfs/dbraw/zinc/85/88/00/342858800.db2.gz FKTIMBFYCSWHEB-UHFFFAOYSA-N 1 0 238.291 1.790 20 5 BDBDRO COC[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472321 342935814 /nfs/dbraw/zinc/93/58/14/342935814.db2.gz KDTVNKAXCMORCJ-ZETCQYMHSA-N 1 0 230.289 1.781 20 5 BDBDRO C[NH2+][C@H](C)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000310866884 343589042 /nfs/dbraw/zinc/58/90/42/343589042.db2.gz RRGXSKWWAZGYQJ-MRVPVSSYSA-N 1 0 247.258 1.456 20 5 BDBDRO C[C@@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000049558511 343602483 /nfs/dbraw/zinc/60/24/83/343602483.db2.gz CKIIXYLODCDHEO-QMMMGPOBSA-N 1 0 239.279 1.137 20 5 BDBDRO CN(CCC[NH+](C)C)c1ccncc1[N+](=O)[O-] ZINC000588825365 344193301 /nfs/dbraw/zinc/19/33/01/344193301.db2.gz DLXUTLWXNDOVFM-UHFFFAOYSA-N 1 0 238.291 1.378 20 5 BDBDRO COC[C@](C)([NH3+])CNc1ccsc1[N+](=O)[O-] ZINC000601116228 344313221 /nfs/dbraw/zinc/31/32/21/344313221.db2.gz ISJBAHBQXUAKRH-SECBINFHSA-N 1 0 245.304 1.432 20 5 BDBDRO CN(CC[NH+](C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC000080684604 345430315 /nfs/dbraw/zinc/43/03/15/345430315.db2.gz SMTJNGVNJDNAQI-UHFFFAOYSA-N 1 0 241.266 1.732 20 5 BDBDRO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000147148885 345710557 /nfs/dbraw/zinc/71/05/57/345710557.db2.gz ZPGQFRCQCPDBIU-UHFFFAOYSA-N 1 0 237.303 1.983 20 5 BDBDRO C[C@@H](c1nc(CN)no1)c1cccc([N+](=O)[O-])c1 ZINC000580325287 347092878 /nfs/dbraw/zinc/09/28/78/347092878.db2.gz TWSRLKQOYYBBFL-SSDOTTSWSA-N 1 0 248.242 1.588 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1NCC[NH+](C)C ZINC000125711700 179206420 /nfs/dbraw/zinc/20/64/20/179206420.db2.gz CRXUTGJHGGLXGI-UHFFFAOYSA-N 1 0 223.276 1.877 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000050228587 179206491 /nfs/dbraw/zinc/20/64/91/179206491.db2.gz SXCVCHMEKLTOMP-SECBINFHSA-N 1 0 249.270 1.076 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[NH2+]C1 ZINC000125755977 179207008 /nfs/dbraw/zinc/20/70/08/179207008.db2.gz XGQWLZGINJEUFM-SECBINFHSA-N 1 0 221.260 1.677 20 5 BDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000592478122 347791308 /nfs/dbraw/zinc/79/13/08/347791308.db2.gz YXTAJDZHMLZEHO-ONOSFVFSSA-N 1 0 247.254 1.284 20 5 BDBDRO CN(Cc1csc([N+](=O)[O-])c1)CC(C)(C)[NH3+] ZINC000594736803 348109678 /nfs/dbraw/zinc/10/96/78/348109678.db2.gz VSRWKPXMZWCETQ-UHFFFAOYSA-N 1 0 243.332 1.825 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595810903 348350387 /nfs/dbraw/zinc/35/03/87/348350387.db2.gz PPQBVMQCHRZVPU-UWVGGRQHSA-N 1 0 236.275 1.133 20 5 BDBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[NH2+]C1 ZINC000596015308 348430457 /nfs/dbraw/zinc/43/04/57/348430457.db2.gz ANFGDSVDSAKJSI-MRVPVSSYSA-N 1 0 237.259 1.377 20 5 BDBDRO C[NH2+]C[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000596106336 348441077 /nfs/dbraw/zinc/44/10/77/348441077.db2.gz OLBVCPMIRDTNBV-QMMMGPOBSA-N 1 0 241.266 1.431 20 5 BDBDRO O=[N+]([O-])c1cc(C[NH2+]CCOCCF)cs1 ZINC000596057931 348435224 /nfs/dbraw/zinc/43/52/24/348435224.db2.gz YQMGTVNBNSILGB-UHFFFAOYSA-N 1 0 248.279 1.732 20 5 BDBDRO C[NH2+]C[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000596103161 348440379 /nfs/dbraw/zinc/44/03/79/348440379.db2.gz BLFGSVSMVPOMBA-ZETCQYMHSA-N 1 0 229.305 1.354 20 5 BDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[C@@H](C)[NH3+])n1 ZINC000420162245 192165550 /nfs/dbraw/zinc/16/55/50/192165550.db2.gz XRXVCXWSXVWQAA-MRVPVSSYSA-N 1 0 238.291 1.756 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1 ZINC000599006436 349074653 /nfs/dbraw/zinc/07/46/53/349074653.db2.gz IDCAHSLAAQCHFC-KLPPZKSPSA-N 1 0 236.271 1.455 20 5 BDBDRO C[NH2+]C[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000414846698 351847942 /nfs/dbraw/zinc/84/79/42/351847942.db2.gz UXKYSLMNKDNLRQ-SNVBAGLBSA-N 1 0 237.303 1.540 20 5 BDBDRO COCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000211422125 352732020 /nfs/dbraw/zinc/73/20/20/352732020.db2.gz BWSFVWHOZUJWJN-XQRVVYSFSA-N 1 0 236.271 1.844 20 5 BDBDRO Cc1c(NC(=O)C2(C)C[NH2+]C2)cccc1[N+](=O)[O-] ZINC000399150356 355770105 /nfs/dbraw/zinc/77/01/05/355770105.db2.gz FTQUHCLGDLKTED-UHFFFAOYSA-N 1 0 249.270 1.451 20 5 BDBDRO Cc1nc(SCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000450378413 202147362 /nfs/dbraw/zinc/14/73/62/202147362.db2.gz LCCZHFXEYPRTPI-UHFFFAOYSA-N 1 0 242.304 1.347 20 5 BDBDRO C[C@@H]1CC[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000389751687 357026249 /nfs/dbraw/zinc/02/62/49/357026249.db2.gz LRBJJHFFFRMDIN-RNFRBKRXSA-N 1 0 242.304 1.461 20 5 BDBDRO CC[NH+](CC)CCNc1ncc([N+](=O)[O-])s1 ZINC000189680278 357656877 /nfs/dbraw/zinc/65/68/77/357656877.db2.gz AOCZJDAHXCWUHV-UHFFFAOYSA-N 1 0 244.320 1.805 20 5 BDBDRO CC[C@@H](N[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423359994 192732237 /nfs/dbraw/zinc/73/22/37/192732237.db2.gz DYXDMJBXWCLASM-JOYOIKCWSA-N 1 0 237.303 1.983 20 5 BDBDRO CC1(C)CC([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000433299848 201177074 /nfs/dbraw/zinc/17/70/74/201177074.db2.gz RRADRSZZOGNGEH-UHFFFAOYSA-N 1 0 238.291 1.570 20 5 BDBDRO [NH3+]CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000236267600 181396457 /nfs/dbraw/zinc/39/64/57/181396457.db2.gz CGFYFMGNJUKZTL-UHFFFAOYSA-N 1 0 217.175 1.244 20 5 BDBDRO Cc1ccc(CN(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000580714318 367149847 /nfs/dbraw/zinc/14/98/47/367149847.db2.gz XJEMYWPSSGOYTF-LBPRGKRZSA-N 1 0 249.314 1.697 20 5 BDBDRO Cc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000107571836 369354138 /nfs/dbraw/zinc/35/41/38/369354138.db2.gz UBDCGIUGVZKDTD-QWRGUYRKSA-N 1 0 247.298 1.559 20 5 BDBDRO [NH3+][C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000094772123 181589992 /nfs/dbraw/zinc/58/99/92/181589992.db2.gz QVSZLMOLICNQSX-SSDOTTSWSA-N 1 0 247.258 1.009 20 5 BDBDRO CC[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332644301 371359659 /nfs/dbraw/zinc/35/96/59/371359659.db2.gz BJICEPJVMPSENB-SECBINFHSA-N 1 0 238.291 1.703 20 5 BDBDRO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000600681799 371695156 /nfs/dbraw/zinc/69/51/56/371695156.db2.gz JZFLUCNBFMBGOI-JOYOIKCWSA-N 1 0 235.287 1.435 20 5 BDBDRO CCN(C/C=C/c1ccccc1[N+](=O)[O-])CC[NH3+] ZINC000600775506 371700192 /nfs/dbraw/zinc/70/01/92/371700192.db2.gz OAJRITXJKLYOCR-FNORWQNLSA-N 1 0 249.314 1.889 20 5 BDBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH2+]CC1 ZINC000304411051 371786972 /nfs/dbraw/zinc/78/69/72/371786972.db2.gz XZVLNUFHVGJZAL-UHFFFAOYSA-N 1 0 242.666 1.053 20 5 BDBDRO CC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])COC1 ZINC000602739111 371835599 /nfs/dbraw/zinc/83/55/99/371835599.db2.gz JGEXFCKGMZZDBR-XQRVVYSFSA-N 1 0 248.282 1.987 20 5 BDBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602449139 371806354 /nfs/dbraw/zinc/80/63/54/371806354.db2.gz NRUPSVZJMXPSHL-MRVPVSSYSA-N 1 0 224.264 1.170 20 5 BDBDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]1C ZINC000602486431 371813171 /nfs/dbraw/zinc/81/31/71/371813171.db2.gz UFIFTMWNXHQEPQ-IUCAKERBSA-N 1 0 238.291 1.559 20 5 BDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000602600919 371824174 /nfs/dbraw/zinc/82/41/74/371824174.db2.gz XDYLRUHYYQOLBJ-WCBMZHEXSA-N 1 0 249.270 1.157 20 5 BDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000602600923 371824465 /nfs/dbraw/zinc/82/44/65/371824465.db2.gz XDYLRUHYYQOLBJ-WPRPVWTQSA-N 1 0 249.270 1.157 20 5 BDBDRO CN(CCC[NH3+])C(=O)c1csc([N+](=O)[O-])c1 ZINC000132809616 371927438 /nfs/dbraw/zinc/92/74/38/371927438.db2.gz IBCUYKNGAQIYPD-UHFFFAOYSA-N 1 0 243.288 1.077 20 5 BDBDRO CN(CCC[NH3+])C(=O)c1ccc([N+](=O)[O-])s1 ZINC000132813360 371927722 /nfs/dbraw/zinc/92/77/22/371927722.db2.gz VVBAKAUHJGEMLE-UHFFFAOYSA-N 1 0 243.288 1.077 20 5 BDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[NH2+]C2)nc1 ZINC000040434850 373264221 /nfs/dbraw/zinc/26/42/21/373264221.db2.gz NMDKAARFIHULQE-QMMMGPOBSA-N 1 0 222.248 1.154 20 5 BDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000034939022 182372587 /nfs/dbraw/zinc/37/25/87/182372587.db2.gz NYXDOHMIYFVMKI-VIFPVBQESA-N 1 0 249.270 1.533 20 5 BDBDRO O=[N+]([O-])c1cnc(NCC[C@H]2CC[NH2+]C2)s1 ZINC000226780452 182957285 /nfs/dbraw/zinc/95/72/85/182957285.db2.gz WPPYDSLTQHLRRF-SSDOTTSWSA-N 1 0 242.304 1.463 20 5 BDBDRO CCOc1cc(NCC[NH2+]C)ccc1[N+](=O)[O-] ZINC000111051432 383831929 /nfs/dbraw/zinc/83/19/29/383831929.db2.gz NGHMSFNRVRPCRX-UHFFFAOYSA-N 1 0 239.275 1.625 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1O ZINC000050015792 383888785 /nfs/dbraw/zinc/88/87/85/383888785.db2.gz KIJRJZWBTILLGU-PWSUYJOCSA-N 1 0 236.271 1.598 20 5 BDBDRO Cc1nn(C[C@H]2CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000187651125 384069673 /nfs/dbraw/zinc/06/96/73/384069673.db2.gz GODXKSNYOVGZFL-JTQLQIEISA-N 1 0 238.291 1.360 20 5 BDBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000163263574 384202259 /nfs/dbraw/zinc/20/22/59/384202259.db2.gz CZUKZWROTJEXNN-GHMZBOCLSA-N 1 0 249.314 1.764 20 5 BDBDRO C[C@@H](C[NH3+])NCc1cccc([N+](=O)[O-])c1 ZINC000235138875 384204110 /nfs/dbraw/zinc/20/41/10/384204110.db2.gz HVQBORUZYIHZOB-QMMMGPOBSA-N 1 0 209.249 1.032 20 5 BDBDRO Cc1ccnc(NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000070062613 384217737 /nfs/dbraw/zinc/21/77/37/384217737.db2.gz CKPDZSBJCLIGJC-UHFFFAOYSA-N 1 0 224.264 1.272 20 5 BDBDRO CC[N@H+](CCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000045914842 384415901 /nfs/dbraw/zinc/41/59/01/384415901.db2.gz OZSBCPVGUFONFU-UHFFFAOYSA-N 1 0 238.287 1.799 20 5 BDBDRO CC[C@@H](C)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176238892 384488892 /nfs/dbraw/zinc/48/88/92/384488892.db2.gz ZCCIOXNIMXEBGN-SNVBAGLBSA-N 1 0 240.307 1.769 20 5 BDBDRO C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963365 384584515 /nfs/dbraw/zinc/58/45/15/384584515.db2.gz YNRMUQCDHCCFIK-SSDOTTSWSA-N 1 0 244.678 1.719 20 5 BDBDRO C[C@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOC1 ZINC000120180606 384721313 /nfs/dbraw/zinc/72/13/13/384721313.db2.gz AVCSMOCMMDEABN-JTQLQIEISA-N 1 0 242.300 1.925 20 5 BDBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000106882412 384935441 /nfs/dbraw/zinc/93/54/41/384935441.db2.gz LHBMSLQBQQJLMM-LBPRGKRZSA-N 1 0 236.271 1.816 20 5 BDBDRO O=[N+]([O-])c1cc2c(ncnc2-n2ccnc2)s1 ZINC000310446665 385065434 /nfs/dbraw/zinc/06/54/34/385065434.db2.gz YRDOOWZGWYMZBL-UHFFFAOYSA-N 1 0 247.239 1.785 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000061709125 385133731 /nfs/dbraw/zinc/13/37/31/385133731.db2.gz WFKLVBKPSQDSIM-JTQLQIEISA-N 1 0 222.244 1.161 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN1CCOCC12CC2 ZINC000338589720 385259829 /nfs/dbraw/zinc/25/98/29/385259829.db2.gz BSWSNZLUBWGGNU-UHFFFAOYSA-N 1 0 248.282 1.960 20 5 BDBDRO CN(CC[NH3+])c1ncc(Cl)cc1[N+](=O)[O-] ZINC000149414943 385555804 /nfs/dbraw/zinc/55/58/04/385555804.db2.gz QTRUFKYFRMLYFN-UHFFFAOYSA-N 1 0 230.655 1.038 20 5 BDBDRO CC(C)[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000086120656 385695351 /nfs/dbraw/zinc/69/53/51/385695351.db2.gz ADMWYFWLVZFLMK-SECBINFHSA-N 1 0 244.316 1.763 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN1CC2(C1)CCOC2 ZINC000293918325 386121823 /nfs/dbraw/zinc/12/18/23/386121823.db2.gz GMJVGWMENFYNNI-UHFFFAOYSA-N 1 0 248.282 1.817 20 5 BDBDRO [NH3+][C@H](CNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414897281 386213971 /nfs/dbraw/zinc/21/39/71/386213971.db2.gz QZSDXEZBVTWGDM-GFCCVEGCSA-N 1 0 235.287 1.422 20 5 BDBDRO CC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1C ZINC000183227705 386386604 /nfs/dbraw/zinc/38/66/04/386386604.db2.gz OHBZFPGRCCSCSL-UHFFFAOYSA-N 1 0 238.287 1.717 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@@H]2O)c1 ZINC000052926367 386372137 /nfs/dbraw/zinc/37/21/37/386372137.db2.gz RWPRAYQJJGDINS-RYUDHWBXSA-N 1 0 236.271 1.598 20 5 BDBDRO C[C@@H](N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000094087107 386468395 /nfs/dbraw/zinc/46/83/95/386468395.db2.gz OMSRDIXKKWFJIQ-MWLCHTKSSA-N 1 0 235.287 1.607 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CC[NH2+]C2)c1 ZINC000094663313 386465024 /nfs/dbraw/zinc/46/50/24/386465024.db2.gz MPQRRRRVHUHIHU-JTQLQIEISA-N 1 0 235.287 1.701 20 5 BDBDRO [NH3+]C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000123429686 386556522 /nfs/dbraw/zinc/55/65/22/386556522.db2.gz KDTCIRWJTUCWBF-GFCCVEGCSA-N 1 0 235.287 1.518 20 5 BDBDRO CC(C)([NH3+])CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414811334 386633029 /nfs/dbraw/zinc/63/30/29/386633029.db2.gz ZIODTZRFMODVSH-FNORWQNLSA-N 1 0 249.314 1.935 20 5 BDBDRO COc1ccc([N+](=O)[O-])c(NCC[NH+](C)C)c1 ZINC000142319543 386709802 /nfs/dbraw/zinc/70/98/02/386709802.db2.gz FSGGKIJVNRSZIO-UHFFFAOYSA-N 1 0 239.275 1.577 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C[NH3+])C1CC1 ZINC000414804832 387131546 /nfs/dbraw/zinc/13/15/46/387131546.db2.gz PCXLFASGAYRJOU-CYBMUJFWSA-N 1 0 249.314 1.730 20 5 BDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)O)cc1[N+](=O)[O-] ZINC000035601517 387374245 /nfs/dbraw/zinc/37/42/45/387374245.db2.gz MVGJGGWDRYAATG-VHSXEESVSA-N 1 0 238.287 1.935 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[NH2+]2)n1 ZINC000162857534 387469447 /nfs/dbraw/zinc/46/94/47/387469447.db2.gz PWKVHXAAGXFADA-VIFPVBQESA-N 1 0 236.275 1.462 20 5 BDBDRO Cc1ccc(CNC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414893810 387593003 /nfs/dbraw/zinc/59/30/03/387593003.db2.gz KKLYWWZNGNYZMJ-GFCCVEGCSA-N 1 0 249.314 1.730 20 5 BDBDRO C[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000414954943 387617249 /nfs/dbraw/zinc/61/72/49/387617249.db2.gz SZUDTKMAGBXHAM-CMPLNLGQSA-N 1 0 249.314 1.825 20 5 BDBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H](C)[NH3+] ZINC000415018681 387663541 /nfs/dbraw/zinc/66/35/41/387663541.db2.gz QYRVVHSHDHTIQC-JGVFFNPUSA-N 1 0 241.266 1.559 20 5 BDBDRO Cc1ccc(CN2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000347034226 387842318 /nfs/dbraw/zinc/84/23/18/387842318.db2.gz FQBWGCFONLCJNT-NSHDSACASA-N 1 0 249.314 1.697 20 5 BDBDRO C[C@@H](C[NH3+])N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000347038293 387917332 /nfs/dbraw/zinc/91/73/32/387917332.db2.gz GKETUNNPSRANCJ-QMMMGPOBSA-N 1 0 241.266 1.513 20 5 BDBDRO C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000226413167 388350614 /nfs/dbraw/zinc/35/06/14/388350614.db2.gz FJLPFWZZSITCGI-WDEREUQCSA-N 1 0 249.314 1.950 20 5 BDBDRO C[C@@H]([NH3+])CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000442665424 388359210 /nfs/dbraw/zinc/35/92/10/388359210.db2.gz ZSGOJQNVLLJLGR-SECBINFHSA-N 1 0 235.287 1.300 20 5 BDBDRO Cc1sc(C(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000194878218 388453763 /nfs/dbraw/zinc/45/37/63/388453763.db2.gz QDZXKUWHTANXQH-YFKPBYRVSA-N 1 0 243.288 1.042 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000123917652 388737091 /nfs/dbraw/zinc/73/70/91/388737091.db2.gz XGTHRQYUBFGHRO-VIFPVBQESA-N 1 0 249.270 1.076 20 5 BDBDRO C[C@@H](O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449060400 388746914 /nfs/dbraw/zinc/74/69/14/388746914.db2.gz FOBMLRUYMXKVAI-NXEZZACHSA-N 1 0 238.287 1.496 20 5 BDBDRO C[C@H](N[C@@H](C)C1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423142956 388688484 /nfs/dbraw/zinc/68/84/84/388688484.db2.gz BXKHJHYZGMKUDE-UWVGGRQHSA-N 1 0 249.314 1.853 20 5 BDBDRO C[NH2+]CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423226778 388689101 /nfs/dbraw/zinc/68/91/01/388689101.db2.gz SFLUDGKDDTWVAG-JTQLQIEISA-N 1 0 237.303 1.773 20 5 BDBDRO C[C@@H](N[C@@H](C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423268792 388690018 /nfs/dbraw/zinc/69/00/18/388690018.db2.gz DYRKTWCAZIMZPY-RNCFNFMXSA-N 1 0 249.314 1.983 20 5 BDBDRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423231531 388690438 /nfs/dbraw/zinc/69/04/38/388690438.db2.gz GSLWSCMLQBATLF-JQWIXIFHSA-N 1 0 249.314 1.997 20 5 BDBDRO C[C@H](CN)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423335453 388691206 /nfs/dbraw/zinc/69/12/06/388691206.db2.gz TUGSCZPNQREJFG-VHSXEESVSA-N 1 0 237.303 1.463 20 5 BDBDRO C[C@@H](C[NH3+])N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423400891 388692486 /nfs/dbraw/zinc/69/24/86/388692486.db2.gz QLWNYVFQJUZHJO-ZANVPECISA-N 1 0 249.314 1.909 20 5 BDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN ZINC000423405337 388692695 /nfs/dbraw/zinc/69/26/95/388692695.db2.gz TUGSCZPNQREJFG-ZJUUUORDSA-N 1 0 237.303 1.463 20 5 BDBDRO CC(C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394590 388720060 /nfs/dbraw/zinc/72/00/60/388720060.db2.gz UPWINEXVZHVIJI-SNVBAGLBSA-N 1 0 238.291 1.837 20 5 BDBDRO C[C@](C[NH3+])(NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430587222 388729104 /nfs/dbraw/zinc/72/91/04/388729104.db2.gz VLKSFZSIIGOAMW-CYBMUJFWSA-N 1 0 249.314 1.812 20 5 BDBDRO Cc1cn(CC[NH+]2CCCCC2)nc1[N+](=O)[O-] ZINC000281182150 388794303 /nfs/dbraw/zinc/79/43/03/388794303.db2.gz NPROZIRYYLQRAF-UHFFFAOYSA-N 1 0 238.291 1.586 20 5 BDBDRO C[N@H+](CCCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000281987851 388810101 /nfs/dbraw/zinc/81/01/01/388810101.db2.gz WRJWDTPSDWPKIA-UHFFFAOYSA-N 1 0 238.287 1.452 20 5 BDBDRO C[C@H]([NH2+]CCCO)c1ccccc1[N+](=O)[O-] ZINC000020526249 388774575 /nfs/dbraw/zinc/77/45/75/388774575.db2.gz PLOVOEISOLGNAK-VIFPVBQESA-N 1 0 224.260 1.628 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH2+][C@H](C)C1 ZINC000122696223 132227873 /nfs/dbraw/zinc/22/78/73/132227873.db2.gz FULVWBBIIAOWKT-SNVBAGLBSA-N 1 0 235.287 1.701 20 5 BDBDRO Cc1ccnc(N2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000070495722 132231361 /nfs/dbraw/zinc/23/13/61/132231361.db2.gz MYWYWSWIRZJEMK-VIFPVBQESA-N 1 0 236.275 1.096 20 5 BDBDRO [NH3+]C[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000044532060 132354438 /nfs/dbraw/zinc/35/44/38/132354438.db2.gz MXVIJKNNTYODRY-SECBINFHSA-N 1 0 236.275 1.165 20 5 BDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H](C)[NH2+]1 ZINC000053711730 132363346 /nfs/dbraw/zinc/36/33/46/132363346.db2.gz HXPQUXMNBYQXJB-DTORHVGOSA-N 1 0 236.275 1.176 20 5 BDBDRO Cc1cc(N2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000054374906 132364406 /nfs/dbraw/zinc/36/44/06/132364406.db2.gz NOIPOSNAVACITB-JTQLQIEISA-N 1 0 235.287 1.701 20 5 BDBDRO CC[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000172724524 134269096 /nfs/dbraw/zinc/26/90/96/134269096.db2.gz IUCLGZPQVSDZFV-VIFPVBQESA-N 1 0 226.280 1.522 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)C(F)F ZINC000226577261 134366605 /nfs/dbraw/zinc/36/66/05/134366605.db2.gz HCPANKMNTAQVIA-SECBINFHSA-N 1 0 246.213 1.310 20 5 BDBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000227526381 134382912 /nfs/dbraw/zinc/38/29/12/134382912.db2.gz YLLWKTPLRDWJFV-SNVBAGLBSA-N 1 0 236.275 1.496 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[NH2+]C2)c1 ZINC000087151064 135107868 /nfs/dbraw/zinc/10/78/68/135107868.db2.gz VVZWJJZBWYQWFC-VIFPVBQESA-N 1 0 221.260 1.677 20 5 BDBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000087129382 135107993 /nfs/dbraw/zinc/10/79/93/135107993.db2.gz PROVGHWHUYXLJI-BDAKNGLRSA-N 1 0 224.260 1.454 20 5 BDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH3+])C1 ZINC000257364327 135131347 /nfs/dbraw/zinc/13/13/47/135131347.db2.gz FMUAHKRWAQYRFL-NXEZZACHSA-N 1 0 235.287 1.689 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261539939 135178804 /nfs/dbraw/zinc/17/88/04/135178804.db2.gz COCJGJGMXGLZNN-VHSXEESVSA-N 1 0 235.287 1.687 20 5 BDBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000261544029 135185414 /nfs/dbraw/zinc/18/54/14/135185414.db2.gz DMWLLYBPUNNEGI-CABZTGNLSA-N 1 0 235.287 1.516 20 5 BDBDRO Cc1c(CN2C[C@H](C)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000261551214 135189881 /nfs/dbraw/zinc/18/98/81/135189881.db2.gz UCAXGHOLFFDUCT-JOYOIKCWSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@]1(C[NH3+])CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000261556458 135196914 /nfs/dbraw/zinc/19/69/14/135196914.db2.gz QSYGEBXZIJFLLG-LLVKDONJSA-N 1 0 236.275 1.165 20 5 BDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]12 ZINC000261563500 135205405 /nfs/dbraw/zinc/20/54/05/135205405.db2.gz GXYVPQQSTPMVTF-DVVUODLYSA-N 1 0 248.286 1.163 20 5 BDBDRO Cc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000261990396 135269717 /nfs/dbraw/zinc/26/97/17/135269717.db2.gz KEFYUAFMCBYSKY-JQWIXIFHSA-N 1 0 249.314 1.682 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](C)C1 ZINC000088058672 135515024 /nfs/dbraw/zinc/51/50/24/135515024.db2.gz ATDKVSYPPVPJKP-MNOVXSKESA-N 1 0 249.314 1.950 20 5 BDBDRO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000089105850 135529639 /nfs/dbraw/zinc/52/96/39/135529639.db2.gz CEKQXYYDQMWQOR-SCZZXKLOSA-N 1 0 236.275 1.529 20 5 BDBDRO C[C@H](C1CC1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000558713816 397925962 /nfs/dbraw/zinc/92/59/62/397925962.db2.gz OZESCTGHBHQDCQ-MRVPVSSYSA-N 1 0 238.291 1.559 20 5 BDBDRO C[C@@]1(CNCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000415077455 398027605 /nfs/dbraw/zinc/02/76/05/398027605.db2.gz FEUQIEVEZQJTOZ-CYBMUJFWSA-N 1 0 249.314 1.684 20 5 BDBDRO O=[N+]([O-])c1cnccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044725864 411140037 /nfs/dbraw/zinc/14/00/37/411140037.db2.gz ZSLSZGYQTOVZIP-VIFPVBQESA-N 1 0 248.286 1.638 20 5 BDBDRO CC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)COC1 ZINC000082694293 168044354 /nfs/dbraw/zinc/04/43/54/168044354.db2.gz KAZOWGVRVWSETQ-UHFFFAOYSA-N 1 0 242.300 1.782 20 5 BDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CC1(C)C ZINC000489424512 411581674 /nfs/dbraw/zinc/58/16/74/411581674.db2.gz LDMXNVGJIXXLML-JTQLQIEISA-N 1 0 238.291 1.522 20 5 BDBDRO CC[C@H](C)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000093107786 171285017 /nfs/dbraw/zinc/28/50/17/171285017.db2.gz PFUQZBGVTZMLKK-VIFPVBQESA-N 1 0 226.280 1.427 20 5 BDBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])nc1 ZINC000054613492 172396326 /nfs/dbraw/zinc/39/63/26/172396326.db2.gz UHCDEOKPEOPCAS-UHFFFAOYSA-N 1 0 238.291 1.742 20 5 BDBDRO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cn1 ZINC000302022998 172430553 /nfs/dbraw/zinc/43/05/53/172430553.db2.gz OUKNHGGULJEWAD-UHFFFAOYSA-N 1 0 238.291 1.378 20 5 BDBDRO C[NH2+]CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000054244840 173356668 /nfs/dbraw/zinc/35/66/68/173356668.db2.gz KYYZTBIGWOOPOF-UHFFFAOYSA-N 1 0 209.249 1.535 20 5 BDBDRO C[NH2+]C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000133291645 173369833 /nfs/dbraw/zinc/36/98/33/173369833.db2.gz RHXLDTDXSRPRDO-VIFPVBQESA-N 1 0 236.275 1.178 20 5 BDBDRO C[NH2+]C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000128364873 173380580 /nfs/dbraw/zinc/38/05/80/173380580.db2.gz BUZPDXAFPRHDFG-CYBMUJFWSA-N 1 0 249.314 1.779 20 5 BDBDRO C[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000035601394 175982412 /nfs/dbraw/zinc/98/24/12/175982412.db2.gz UYSITTSMCYCVPO-RKDXNWHRSA-N 1 0 224.260 1.626 20 5 BDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH3+])C1 ZINC000050245171 176018824 /nfs/dbraw/zinc/01/88/24/176018824.db2.gz MTOMEUNNFLBDBZ-WDEREUQCSA-N 1 0 249.314 1.936 20 5 BDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000235366138 176262238 /nfs/dbraw/zinc/26/22/38/176262238.db2.gz ITVGDKCKCGUORZ-LDYMZIIASA-N 1 0 249.270 1.014 20 5 BDBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000235662416 177228179 /nfs/dbraw/zinc/22/81/79/177228179.db2.gz ITVGDKCKCGUORZ-KWQFWETISA-N 1 0 249.270 1.014 20 5 BDBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000096478887 322957863 /nfs/dbraw/zinc/95/78/63/322957863.db2.gz AHSJIRYDXRAHDE-GFCCVEGCSA-N 1 0 238.287 1.845 20 5 BDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCO ZINC000151738923 323025600 /nfs/dbraw/zinc/02/56/00/323025600.db2.gz OYDAYNDBHKLUPB-SNVBAGLBSA-N 1 0 238.287 1.936 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(C3CC3)CC2)c1 ZINC000544416253 325141819 /nfs/dbraw/zinc/14/18/19/325141819.db2.gz XFVUIJXCCTZRRX-UHFFFAOYSA-N 1 0 236.275 1.324 20 5 BDBDRO C[NH2+]CCCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000567809390 326260504 /nfs/dbraw/zinc/26/05/04/326260504.db2.gz RNKFHOSVKWPZHJ-UHFFFAOYSA-N 1 0 245.666 1.019 20 5 BDBDRO CC(C)[NH+](CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000180444426 535075172 /nfs/dbraw/zinc/07/51/72/535075172.db2.gz KMCXKNPLWNUOHC-UHFFFAOYSA-N 1 0 240.307 1.910 20 5 BDBDRO C[NH2+][C@@H](C)CNc1ccccc1[N+](=O)[O-] ZINC000261534422 536345155 /nfs/dbraw/zinc/34/51/55/536345155.db2.gz MITZETDVJZKAEE-QMMMGPOBSA-N 1 0 209.249 1.615 20 5 BDBDRO C[N@@H+]1C[C@H]2CCN(c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893940409 583255204 /nfs/dbraw/zinc/25/52/04/583255204.db2.gz OHWMBLKFPAERRD-MWLCHTKSSA-N 1 0 248.286 1.130 20 5 BDBDRO CC1=NO[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000895311858 583646959 /nfs/dbraw/zinc/64/69/59/583646959.db2.gz STGIDFRCVKYDLC-GFCCVEGCSA-N 1 0 249.270 1.849 20 5 BDBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000728559839 583897548 /nfs/dbraw/zinc/89/75/48/583897548.db2.gz LIDBQOJBGXIXFD-SNVBAGLBSA-N 1 0 236.275 1.623 20 5 BDBDRO Cc1nn(C[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000899629459 584221844 /nfs/dbraw/zinc/22/18/44/584221844.db2.gz HLKJJSRAJFJWBY-JTQLQIEISA-N 1 0 238.291 1.489 20 5 BDBDRO COc1ccc(C[NH2+]CC[N+](=O)[O-])cc1OC ZINC000899859953 584242874 /nfs/dbraw/zinc/24/28/74/584242874.db2.gz NVCKSKOWTCITAF-UHFFFAOYSA-N 1 0 240.259 1.070 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000899890827 584245812 /nfs/dbraw/zinc/24/58/12/584245812.db2.gz IGWNWZXQPCPWML-SSDOTTSWSA-N 1 0 241.118 1.827 20 5 BDBDRO C[C@@H]([NH2+]CCCON)c1ccc([N+](=O)[O-])cc1 ZINC000902432175 584595442 /nfs/dbraw/zinc/59/54/42/584595442.db2.gz OEDWEGDLACUJAL-SECBINFHSA-N 1 0 239.275 1.526 20 5 BDBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782611388 585822166 /nfs/dbraw/zinc/82/21/66/585822166.db2.gz CQZFOEHMONUFMK-YPMHNXCESA-N 1 0 248.282 1.409 20 5 BDBDRO C[N@@H+]1CCN(CC[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000791055158 585973300 /nfs/dbraw/zinc/97/33/00/585973300.db2.gz PZWWNTXELZQDIW-CYBMUJFWSA-N 1 0 249.314 1.252 20 5 BDBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CC[N+](=O)[O-] ZINC000798198022 586140433 /nfs/dbraw/zinc/14/04/33/586140433.db2.gz XYECIZFGEBOKAT-NXEZZACHSA-N 1 0 200.282 1.774 20 5 BDBDRO CC[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])[NH+](CC)CC ZINC000814039339 586612476 /nfs/dbraw/zinc/61/24/76/586612476.db2.gz NWPNNHFZBXCFDM-UWVGGRQHSA-N 1 0 246.307 1.315 20 5 BDBDRO C[NH2+]CCCOc1ccc([N+](=O)[O-])c(F)c1F ZINC000830409218 587550506 /nfs/dbraw/zinc/55/05/06/587550506.db2.gz GFEWYRUHVVMAIN-UHFFFAOYSA-N 1 0 246.213 1.861 20 5 BDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)[NH3+])CC2 ZINC000843495838 588115471 /nfs/dbraw/zinc/11/54/71/588115471.db2.gz WQGNQCSOLGPWCS-MRVPVSSYSA-N 1 0 249.270 1.140 20 5 BDBDRO C[C@H](CC(=O)OC[C@H](C)[N+](=O)[O-])n1ccnc1 ZINC000845577044 588233808 /nfs/dbraw/zinc/23/38/08/588233808.db2.gz QZSWKPBNJDMWII-BDAKNGLRSA-N 1 0 241.247 1.043 20 5 BDBDRO CC(C)[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])[NH+](C)C ZINC000851128072 588592905 /nfs/dbraw/zinc/59/29/05/588592905.db2.gz HLNZGGWWGNTGSL-SECBINFHSA-N 1 0 246.307 1.171 20 5 BDBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CC[NH2+]C2)cn1 ZINC000110797969 588696186 /nfs/dbraw/zinc/69/61/86/588696186.db2.gz FFISXRHGMCBMDD-VIFPVBQESA-N 1 0 236.275 1.401 20 5 BDBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CC[NH2+]C2)nc1 ZINC000110798312 588696519 /nfs/dbraw/zinc/69/65/19/588696519.db2.gz GVZBZRMNZLBUOU-SECBINFHSA-N 1 0 236.275 1.401 20 5 BDBDRO C[C@H]1C[C@H]1NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000864452605 589365688 /nfs/dbraw/zinc/36/56/88/589365688.db2.gz ORXKEDAQLHZXNN-GZMMTYOYSA-N 1 0 248.286 1.617 20 5 BDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCO ZINC000866216012 589481285 /nfs/dbraw/zinc/48/12/85/589481285.db2.gz PCOZACCDGDYTKU-MRVPVSSYSA-N 1 0 242.250 1.247 20 5 BDBDRO C[C@@H]([NH2+]CCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872016684 589856323 /nfs/dbraw/zinc/85/63/23/589856323.db2.gz MQDDBWNGEKCMSX-MRVPVSSYSA-N 1 0 242.250 1.767 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCO ZINC000873007883 589978632 /nfs/dbraw/zinc/97/86/32/589978632.db2.gz JJFARYYNOPOYJH-UHFFFAOYSA-N 1 0 224.260 1.294 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCO ZINC000876526110 590208173 /nfs/dbraw/zinc/20/81/73/590208173.db2.gz SQWKVSSWXGNDLZ-UHFFFAOYSA-N 1 0 238.287 1.636 20 5 BDBDRO C[NH2+][C@@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000129123836 591259092 /nfs/dbraw/zinc/25/90/92/591259092.db2.gz KRJCKTVPVUYLDR-SNVBAGLBSA-N 1 0 235.287 1.701 20 5 BDBDRO C[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000881848822 591274588 /nfs/dbraw/zinc/27/45/88/591274588.db2.gz BCSIZYXVRCRCHU-ZETCQYMHSA-N 1 0 242.254 1.491 20 5 BDBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[NH2+]C2)cc1 ZINC000132178338 591692037 /nfs/dbraw/zinc/69/20/37/591692037.db2.gz VKYTVQCQEQQNQG-LBPRGKRZSA-N 1 0 249.314 1.684 20 5 BDBDRO C[C@H](CO)N(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000135507555 592015594 /nfs/dbraw/zinc/01/55/94/592015594.db2.gz ACNPDGKAIIQPPK-MRVPVSSYSA-N 1 0 242.250 1.547 20 5 BDBDRO CC12CC(C1)C[N@@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886289069 592200931 /nfs/dbraw/zinc/20/09/31/592200931.db2.gz MWXJXKDTJFTBMH-UHFFFAOYSA-N 1 0 233.271 1.974 20 5 BDBDRO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000046477769 631710958 /nfs/dbraw/zinc/71/09/58/631710958.db2.gz HZNYLAWBEVJEKB-UHFFFAOYSA-N 1 0 246.270 1.996 20 5 BDBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000310304472 632716223 /nfs/dbraw/zinc/71/62/23/632716223.db2.gz RHCDSHVBHWJAGV-QMMMGPOBSA-N 1 0 237.259 1.014 20 5 BDBDRO C[C@H]([NH3+])CN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000309465715 633106510 /nfs/dbraw/zinc/10/65/10/633106510.db2.gz VUGUAHKIKQDDSG-LURJTMIESA-N 1 0 243.288 1.076 20 5 BDBDRO C[C@@H]1CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000309784557 633734605 /nfs/dbraw/zinc/73/46/05/633734605.db2.gz NRFXADZKMBKWIB-SCZZXKLOSA-N 1 0 224.264 1.179 20 5 BDBDRO CN1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000042546758 637281697 /nfs/dbraw/zinc/28/16/97/637281697.db2.gz GIJLSUPWJXRRKL-GFCCVEGCSA-N 1 0 249.314 1.431 20 5 BDBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000905035699 637556285 /nfs/dbraw/zinc/55/62/85/637556285.db2.gz OPMOLFROJTUYLU-UHFFFAOYSA-N 1 0 249.314 1.653 20 5 BDBDRO C[NH+](C)CC[C@@H](NCC[N+](=O)[O-])C(C)(C)C ZINC000905119603 637625625 /nfs/dbraw/zinc/62/56/25/637625625.db2.gz IMCBFBVNDNMNMU-SNVBAGLBSA-N 1 0 231.340 1.219 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000905022470 637572345 /nfs/dbraw/zinc/57/23/45/637572345.db2.gz CRDQLOJDENOUOV-LBPRGKRZSA-N 1 0 220.272 1.410 20 5 BDBDRO CC(C)(CNCC[N+](=O)[O-])[NH+]1CCCCC1 ZINC000905022760 637572477 /nfs/dbraw/zinc/57/24/77/637572477.db2.gz FMVQGZZFDOBALL-UHFFFAOYSA-N 1 0 229.324 1.117 20 5 BDBDRO Cc1ccc(OCCC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905080254 637580366 /nfs/dbraw/zinc/58/03/66/637580366.db2.gz LTXRGLRXYYSOIH-UHFFFAOYSA-N 1 0 238.287 1.630 20 5 BDBDRO CC(C)c1nc(CC[NH2+]CC[N+](=O)[O-])cs1 ZINC000905083741 637582142 /nfs/dbraw/zinc/58/21/42/637582142.db2.gz RKZUEYOYHMZMMJ-UHFFFAOYSA-N 1 0 243.332 1.675 20 5 BDBDRO Cc1ccc(OC[C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000905065607 637597769 /nfs/dbraw/zinc/59/77/69/637597769.db2.gz ISAOCRMJICUGEV-LLVKDONJSA-N 1 0 238.287 1.629 20 5 BDBDRO CS[C@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905123102 637629539 /nfs/dbraw/zinc/62/95/39/637629539.db2.gz GQJLJKPQPIWPMX-IUCAKERBSA-N 1 0 218.322 1.527 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC1Cc2ccccc2C1 ZINC000905122820 637629585 /nfs/dbraw/zinc/62/95/85/637629585.db2.gz DLLZCZQKTAEHDP-UHFFFAOYSA-N 1 0 220.272 1.268 20 5 BDBDRO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccncc1 ZINC000905134302 637645164 /nfs/dbraw/zinc/64/51/64/637645164.db2.gz SSFIVKAZCPOYLV-SNVBAGLBSA-N 1 0 209.249 1.399 20 5 BDBDRO CCO[C@H](CC[NH2+]CC[N+](=O)[O-])C(C)C ZINC000905145549 637653829 /nfs/dbraw/zinc/65/38/29/637653829.db2.gz KISVHGVYNZLTPE-SNVBAGLBSA-N 1 0 218.297 1.304 20 5 BDBDRO CCC(CC)[C@H](CC[NH2+]CC[N+](=O)[O-])OC ZINC000905179146 637662492 /nfs/dbraw/zinc/66/24/92/637662492.db2.gz GWTNDEHGYGEPSX-NSHDSACASA-N 1 0 232.324 1.694 20 5 BDBDRO Cc1cccc(C)c1C[NH2+]CC[N+](=O)[O-] ZINC000905172235 637682588 /nfs/dbraw/zinc/68/25/88/637682588.db2.gz CFHYFOIZPWENBE-UHFFFAOYSA-N 1 0 208.261 1.670 20 5 BDBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]CC[N+](=O)[O-] ZINC000905176070 637685223 /nfs/dbraw/zinc/68/52/23/637685223.db2.gz QCPOGVCURWZABT-SNVBAGLBSA-N 1 0 238.287 1.580 20 5 BDBDRO CC(C)C[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905201358 637693692 /nfs/dbraw/zinc/69/36/92/637693692.db2.gz IGODVFKIWUBWMU-GHMZBOCLSA-N 1 0 230.308 1.446 20 5 BDBDRO CC(C)C[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905201359 637694060 /nfs/dbraw/zinc/69/40/60/637694060.db2.gz IGODVFKIWUBWMU-MNOVXSKESA-N 1 0 230.308 1.446 20 5 BDBDRO CCO[C@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905238595 637722415 /nfs/dbraw/zinc/72/24/15/637722415.db2.gz SFDKSJRXUAULLD-GFCCVEGCSA-N 1 0 238.287 1.631 20 5 BDBDRO CCCNc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905294020 637726111 /nfs/dbraw/zinc/72/61/11/637726111.db2.gz CZVOIIUEHRHDMO-UHFFFAOYSA-N 1 0 237.303 1.875 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000905368494 637788958 /nfs/dbraw/zinc/78/89/58/637788958.db2.gz RSNKADKUSSSXIW-NSHDSACASA-N 1 0 230.308 1.042 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@H](CO)CC1CCCC1 ZINC000905368493 637789314 /nfs/dbraw/zinc/78/93/14/637789314.db2.gz RSNKADKUSSSXIW-LLVKDONJSA-N 1 0 230.308 1.042 20 5 BDBDRO Cc1nc2ccccn2c1C[NH2+]CC[N+](=O)[O-] ZINC000905699610 637890503 /nfs/dbraw/zinc/89/05/03/637890503.db2.gz KYBKNSZPPYVUOU-UHFFFAOYSA-N 1 0 234.259 1.009 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000930554504 639810403 /nfs/dbraw/zinc/81/04/03/639810403.db2.gz IPOFINAPCMWTCI-LLVKDONJSA-N 1 0 228.292 1.012 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCCc2ccccc2CC1 ZINC000930648660 639842573 /nfs/dbraw/zinc/84/25/73/639842573.db2.gz WZWDMPQXIBPPBA-UHFFFAOYSA-N 1 0 234.299 1.754 20 5 BDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@]12C[C@H]1CCCC2 ZINC000931470077 640227988 /nfs/dbraw/zinc/22/79/88/640227988.db2.gz JHCJPUYDKPMCPI-AXFHLTTASA-N 1 0 212.293 1.822 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933089781 640667353 /nfs/dbraw/zinc/66/73/53/640667353.db2.gz WKKPOZIVTMFELU-GFCCVEGCSA-N 1 0 242.319 1.402 20 5 BDBDRO C[C@@H]1CSCCC[N@@H+]1CC[N+](=O)[O-] ZINC000934294288 641117765 /nfs/dbraw/zinc/11/77/65/641117765.db2.gz GQVJECFAEIJVTE-MRVPVSSYSA-N 1 0 204.295 1.091 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C[NH3+])C1 ZINC000158934080 641658485 /nfs/dbraw/zinc/65/84/85/641658485.db2.gz ODCOULVQKVBGHJ-JTQLQIEISA-N 1 0 235.287 1.688 20 5 BDBDRO C[N@@H+]1CCCC[C@@H]1CCn1ccnc1[N+](=O)[O-] ZINC000918342535 642186890 /nfs/dbraw/zinc/18/68/90/642186890.db2.gz DIGYRMBAUDSTDW-SNVBAGLBSA-N 1 0 238.291 1.666 20 5 BDBDRO C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185279783 643284413 /nfs/dbraw/zinc/28/44/13/643284413.db2.gz ZAOSWTQFBZNEOT-SSDOTTSWSA-N 1 0 244.678 1.719 20 5 BDBDRO C[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185309646 643290138 /nfs/dbraw/zinc/29/01/38/643290138.db2.gz OSTRXZRFQLKOQT-ZETCQYMHSA-N 1 0 244.678 1.719 20 5 BDBDRO [NH3+][C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000050227753 643652435 /nfs/dbraw/zinc/65/24/35/643652435.db2.gz PYGFGQZBVGFLPF-JTQLQIEISA-N 1 0 221.260 1.128 20 5 BDBDRO [NH3+]C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000050245178 643656986 /nfs/dbraw/zinc/65/69/86/643656986.db2.gz NKKASROMBALOEN-NSHDSACASA-N 1 0 235.287 1.375 20 5 BDBDRO Cc1ccc([C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930189502 645917668 /nfs/dbraw/zinc/91/76/68/645917668.db2.gz WRGGWTLOUFEYBI-SNVBAGLBSA-N 1 0 208.261 1.922 20 5 BDBDRO CCN(CC[N+](=O)[O-])Cc1ccncc1 ZINC000930154176 646461806 /nfs/dbraw/zinc/46/18/06/646461806.db2.gz ZTQDQWSRBHMHEX-UHFFFAOYSA-N 1 0 209.249 1.180 20 5 BDBDRO C[C@]12C[NH2+]C[C@H]1CN(c1ncccc1[N+](=O)[O-])C2 ZINC000703558166 712078831 /nfs/dbraw/zinc/07/88/31/712078831.db2.gz MESXCGOAAYNECB-JOYOIKCWSA-N 1 0 248.286 1.036 20 5 BDBDRO CC[N@@H+]1CC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000712594322 712435228 /nfs/dbraw/zinc/43/52/28/712435228.db2.gz LFDKDNOGQWDAQI-SECBINFHSA-N 1 0 236.275 1.496 20 5 BDBDRO C[C@H]1[C@H](Nc2cccnc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719575842 712812059 /nfs/dbraw/zinc/81/20/59/712812059.db2.gz QOUOXKRUYOKRTI-DTWKUNHWSA-N 1 0 236.275 1.494 20 5 BDBDRO C[C@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000719598556 712813043 /nfs/dbraw/zinc/81/30/43/712813043.db2.gz IDKZRPJWQXLXEC-GXFFZTMASA-N 1 0 249.314 1.777 20 5 BDBDRO CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000720820590 712868930 /nfs/dbraw/zinc/86/89/30/712868930.db2.gz UUWKVKQLIZXLIZ-GFCCVEGCSA-N 1 0 249.314 1.764 20 5 BDBDRO CC(=O)OC[C@@H](C)CO[C@H](C)C[N+](C)(C)C ZINC001224796538 964953913 /nfs/dbraw/zinc/95/39/13/964953913.db2.gz BLNIVZNTDYGMMR-WDEREUQCSA-N 1 0 232.344 1.297 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)O[C@@H](C)C(=O)OC(C)(C)C ZINC001206259112 968179922 /nfs/dbraw/zinc/17/99/22/968179922.db2.gz SKNZTBQANPVNDP-QWRGUYRKSA-N 1 0 246.371 1.828 20 5 BDBDRO CCN(CC)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168955427 969304139 /nfs/dbraw/zinc/30/41/39/969304139.db2.gz AKZFWRSEEDYBTJ-VXGBXAGGSA-N 1 0 243.351 1.363 20 5 BDBDRO CN1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168956573 969307823 /nfs/dbraw/zinc/30/78/23/969307823.db2.gz BQWDCSCFJAMJOW-PWSUYJOCSA-N 1 0 241.335 1.116 20 5 BDBDRO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965339 969317751 /nfs/dbraw/zinc/31/77/51/969317751.db2.gz ZYQBAULCWVWCDB-LMLFDSFASA-N 1 0 228.292 1.199 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001168974929 969323489 /nfs/dbraw/zinc/32/34/89/969323489.db2.gz SYXIZGMFAHSKOU-GHMZBOCLSA-N 1 0 212.293 1.822 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cocn2)C1 ZINC001168975646 969323893 /nfs/dbraw/zinc/32/38/93/969323893.db2.gz WQKILRDTBFRMLL-RKDXNWHRSA-N 1 0 225.248 1.210 20 5 BDBDRO CC1(C)C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169008014 969332431 /nfs/dbraw/zinc/33/24/31/969332431.db2.gz QOWIVCVPTMKNEY-WDEREUQCSA-N 1 0 242.319 1.543 20 5 BDBDRO CN1CC[C@@H]([N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169055878 969372062 /nfs/dbraw/zinc/37/20/62/969372062.db2.gz QXXFDTZQCJDHCV-SDDRHHMPSA-N 1 0 241.335 1.068 20 5 BDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NOCC[NH3+] ZINC001254534700 969730951 /nfs/dbraw/zinc/73/09/51/969730951.db2.gz BKXJGIVXFIPOEX-VIFPVBQESA-N 1 0 239.275 1.006 20 5 BDBDRO COc1cc(O)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001228265201 976013323 /nfs/dbraw/zinc/01/33/23/976013323.db2.gz WSSASZJIMPGPGA-JTQLQIEISA-O 1 0 240.323 1.874 20 5 BDBDRO COc1cc(CO[C@@H](C)C[N+](C)(C)C)ccn1 ZINC001223475204 973088782 /nfs/dbraw/zinc/08/87/82/973088782.db2.gz GZSKNXUUGBLWSG-NSHDSACASA-N 1 0 239.339 1.702 20 5 BDBDRO Cc1cncc(CO[C@H](C)C[N+](C)(C)C)n1 ZINC001224032337 973417750 /nfs/dbraw/zinc/41/77/50/973417750.db2.gz KGYIXGICVVDUOE-LLVKDONJSA-N 1 0 224.328 1.396 20 5 BDBDRO CC(C)(C)[C@H](C[NH3+])Nc1cc([N+](=O)[O-])ccn1 ZINC000305909602 970810470 /nfs/dbraw/zinc/81/04/70/970810470.db2.gz HLHMJYFLAMAPSR-VIFPVBQESA-N 1 0 238.291 1.775 20 5 BDBDRO O=[N+]([O-])c1cccnc1N[C@H]1C[NH+]2CCC1CC2 ZINC000020565799 970870651 /nfs/dbraw/zinc/87/06/51/970870651.db2.gz BWCWQHHNGCGAPE-JTQLQIEISA-N 1 0 248.286 1.496 20 5 BDBDRO CC(=O)OCCCCCO[C@H](C)C[N+](C)(C)C ZINC001224757498 973921167 /nfs/dbraw/zinc/92/11/67/973921167.db2.gz PDOWJCSPEBOPNN-GFCCVEGCSA-N 1 0 246.371 1.831 20 5 BDBDRO Nc1ccc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC001218150103 971607626 /nfs/dbraw/zinc/60/76/26/971607626.db2.gz CMTQVHNFRYLDLX-JDICNCQASA-N 1 0 249.270 1.164 20 5 BDBDRO O=[N+]([O-])c1cccc(O[C@H]2CC[NH2+]C2)c1F ZINC001218177430 971609607 /nfs/dbraw/zinc/60/96/07/971609607.db2.gz ORCQCDPSOOSANO-ZETCQYMHSA-N 1 0 226.207 1.475 20 5 BDBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CC[NH2+]C1 ZINC001218182727 971616771 /nfs/dbraw/zinc/61/67/71/971616771.db2.gz ZYGOMBNWWWYHRK-JTQLQIEISA-N 1 0 236.271 1.952 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ncccc1N ZINC001218355135 971726832 /nfs/dbraw/zinc/72/68/32/971726832.db2.gz FOBJHEXNZIRKNA-SECBINFHSA-N 1 0 210.301 1.137 20 5 BDBDRO Cc1cc(O[C@H]2C[NH2+][C@H]2C)cc([N+](=O)[O-])c1C ZINC001218385201 971764780 /nfs/dbraw/zinc/76/47/80/971764780.db2.gz GWENLQLNKIRWFK-CABZTGNLSA-N 1 0 236.271 1.951 20 5 BDBDRO O=[N+]([O-])c1ccncc1O[C@H]1CCC[NH2+]C1 ZINC001218284313 959945828 /nfs/dbraw/zinc/94/58/28/959945828.db2.gz PJVFTRGZVRAELD-QMMMGPOBSA-N 1 0 223.232 1.121 20 5 BDBDRO C[NH2+]CCNc1c(Cl)nccc1[N+](=O)[O-] ZINC001167723442 960227751 /nfs/dbraw/zinc/22/77/51/960227751.db2.gz UZCATLAKCBAAMR-UHFFFAOYSA-N 1 0 230.655 1.275 20 5 BDBDRO Cc1cc(CO[C@H](C)C[N+](C)(C)C)on1 ZINC001222450192 972495190 /nfs/dbraw/zinc/49/51/90/972495190.db2.gz VMDCVZIFCYVJRH-SNVBAGLBSA-N 1 0 213.301 1.594 20 5 BDBDRO CCC(CC)COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001204938304 962087776 /nfs/dbraw/zinc/08/77/76/962087776.db2.gz FDFVGKNSBSEQRY-GFCCVEGCSA-N 1 0 246.371 1.423 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ncccc1F ZINC001226053849 963004337 /nfs/dbraw/zinc/00/43/37/963004337.db2.gz BBJCYANDOVMNTK-SECBINFHSA-N 1 0 213.276 1.694 20 5 BDBDRO O=[N+]([O-])c1cccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)n1 ZINC001155402372 963069069 /nfs/dbraw/zinc/06/90/69/963069069.db2.gz LXQLYTRFRAVSSO-JOYOIKCWSA-N 1 0 248.286 1.686 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1nc(F)c(F)cc1F ZINC001226200939 963107487 /nfs/dbraw/zinc/10/74/87/963107487.db2.gz MMXWRGUMPRSGDA-SSDOTTSWSA-N 1 0 249.256 1.972 20 5 BDBDRO CC(C)N(CCC[NH3+])c1cccc([N+](=O)[O-])n1 ZINC001156118342 963262017 /nfs/dbraw/zinc/26/20/17/963262017.db2.gz FBKAGYDXTHKDER-UHFFFAOYSA-N 1 0 238.291 1.553 20 5 BDBDRO O=[N+]([O-])c1cccc(-n2ccc3c2CC[NH2+]C3)n1 ZINC001157443220 963604760 /nfs/dbraw/zinc/60/47/60/963604760.db2.gz SZQPNVSQJQBBFP-UHFFFAOYSA-N 1 0 244.254 1.426 20 5 BDBDRO C[C@@H]1CN(c2cccc([N+](=O)[O-])n2)C[C@H](C)[NH2+]1 ZINC001158177250 963821071 /nfs/dbraw/zinc/82/10/71/963821071.db2.gz RKVPXSFVRKYJFO-DTORHVGOSA-N 1 0 236.275 1.176 20 5 BDBDRO C[NH+](C)CCNc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001161666661 964674286 /nfs/dbraw/zinc/67/42/86/964674286.db2.gz SHFNBVDMEVCABQ-UHFFFAOYSA-N 1 0 249.274 1.445 20 5 BDBDRO C[C@H](OCCC[N+](C)(C)C)c1cncnc1 ZINC001224622520 964811013 /nfs/dbraw/zinc/81/10/13/964811013.db2.gz GZNOLEVSNDWXQW-NSHDSACASA-N 1 0 224.328 1.651 20 5 BDBDRO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000042545345 964826672 /nfs/dbraw/zinc/82/66/72/964826672.db2.gz CCSLWDUBWZBBJG-CMPLNLGQSA-N 1 0 249.314 1.950 20 5 BDBDRO COc1cccc(-n2cnc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001162302415 964916453 /nfs/dbraw/zinc/91/64/53/964916453.db2.gz QLOLRJNWEOSYMW-UHFFFAOYSA-N 1 0 248.242 1.248 20 5 BDBDRO C[C@@]1([NH3+])C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001162324658 964927513 /nfs/dbraw/zinc/92/75/13/964927513.db2.gz DQGKEIUZOVHKCC-WKFQBHICSA-N 1 0 240.238 1.421 20 5 BDBDRO CC(C)CCOC(=O)[C@H](C)OCC[N+](C)(C)C ZINC001224772733 964935796 /nfs/dbraw/zinc/93/57/96/964935796.db2.gz CCAGITUZZBTHPG-LBPRGKRZSA-N 1 0 246.371 1.687 20 5 BDBDRO [NH3+][C@@H]1CCC[C@H](Nc2nccnc2[N+](=O)[O-])C1 ZINC001162390954 964952600 /nfs/dbraw/zinc/95/26/00/964952600.db2.gz KMAMPJAWHNZAEJ-SFYZADRCSA-N 1 0 237.263 1.067 20 5 BDBDRO O=[N+]([O-])c1ccnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001162789984 965174307 /nfs/dbraw/zinc/17/43/07/965174307.db2.gz PEXMBLZGRCBPNH-DVVUODLYSA-N 1 0 246.270 1.176 20 5 BDBDRO Cc1cccc([N+](=O)[O-])c1-n1ccnc1C(N)=[NH2+] ZINC001168415494 965340073 /nfs/dbraw/zinc/34/00/73/965340073.db2.gz GQIKXAFFKMWJQX-UHFFFAOYSA-N 1 0 245.242 1.373 20 5 BDBDRO Cc1cc(N2CC=C(N)[NH2+]2)c(F)cc1[N+](=O)[O-] ZINC001164120086 965742742 /nfs/dbraw/zinc/74/27/42/965742742.db2.gz MYWFLAURLUSYOV-UHFFFAOYSA-N 1 0 238.222 1.167 20 5 BDBDRO Cc1c(F)cc([N+](=O)[O-])cc1N1CC[C@@H]([NH3+])C1 ZINC001164287010 965831580 /nfs/dbraw/zinc/83/15/80/965831580.db2.gz AGVDDXRAYFZKBI-MRVPVSSYSA-N 1 0 239.250 1.580 20 5 BDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[C@]3([NH3+])C2)n1 ZINC001165315990 966048786 /nfs/dbraw/zinc/04/87/86/966048786.db2.gz VZYBXAFLNGUBIC-CABZTGNLSA-N 1 0 248.286 1.144 20 5 BDBDRO [NH3+][C@H]1CCN(c2cc([N+](=O)[O-])cc3cc[nH]c32)C1 ZINC001164281593 968213554 /nfs/dbraw/zinc/21/35/54/968213554.db2.gz HTBHPKMZQNSQJQ-VIFPVBQESA-N 1 0 246.270 1.614 20 5 BDBDRO C[C@@]1(O)C[C@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168975984 969295433 /nfs/dbraw/zinc/29/54/33/969295433.db2.gz 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CCC1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)COC1 ZINC001168971377 969324484 /nfs/dbraw/zinc/32/44/84/969324484.db2.gz JWZORCIGEOVMOG-QWRGUYRKSA-N 1 0 242.319 1.448 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CSC2)C1 ZINC001168975836 969327819 /nfs/dbraw/zinc/32/78/19/969327819.db2.gz XMTHUEUDWQAFBS-WCBMZHEXSA-N 1 0 230.333 1.384 20 5 BDBDRO COC1(C)C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169005999 969328977 /nfs/dbraw/zinc/32/89/77/969328977.db2.gz FBYSSLLCIGWNDT-VHSXEESVSA-N 1 0 228.292 1.153 20 5 BDBDRO C[C@@H]1COCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007699 969332636 /nfs/dbraw/zinc/33/26/36/969332636.db2.gz PMCPJQUYMZNWBZ-GMTAPVOTSA-N 1 0 228.292 1.153 20 5 BDBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccno1 ZINC001169008070 969332626 /nfs/dbraw/zinc/33/26/26/969332626.db2.gz RJYFDXCBMGNDDJ-LPEHRKFASA-N 1 0 239.275 1.771 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2Cc3cncnc3C2)C1 ZINC001169008695 969332917 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CC(=O)CC(C)(C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988084 969345591 /nfs/dbraw/zinc/34/55/91/969345591.db2.gz NLKDRZFVHZFVKY-QWRGUYRKSA-N 1 0 242.319 1.779 20 5 BDBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC3(CSC3)C2)C1 ZINC001169045480 969364198 /nfs/dbraw/zinc/36/41/98/969364198.db2.gz JFOVAICVTWAFRM-ZJUUUORDSA-N 1 0 242.344 1.481 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2ccc3c2CC[NH2+]C3)C1 ZINC001169047463 969364281 /nfs/dbraw/zinc/36/42/81/969364281.db2.gz RDNYTONFMNFAAY-JQWIXIFHSA-N 1 0 249.314 1.752 20 5 BDBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001169024432 969364922 /nfs/dbraw/zinc/36/49/22/969364922.db2.gz HAYYLLRBQLTWTB-HHHUOAJASA-N 1 0 242.294 1.864 20 5 BDBDRO [NH2+]=CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254467092 969649607 /nfs/dbraw/zinc/64/96/07/969649607.db2.gz XBFFXSIMEHTUJC-UHFFFAOYSA-N 1 0 248.286 1.760 20 5 BDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(C)C1 ZINC001254537280 969735640 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[NH3+]CCCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327500292 972599219 /nfs/dbraw/zinc/59/92/19/972599219.db2.gz WOVZQEPUDMAHAD-UHFFFAOYSA-N 1 0 221.260 1.259 20 5 BDBDRO Cc1nccnc1CO[C@@H](C)C[N+](C)(C)C ZINC001223361213 973025682 /nfs/dbraw/zinc/02/56/82/973025682.db2.gz XODDGMYGYXQISH-JTQLQIEISA-N 1 0 224.328 1.396 20 5 BDBDRO C[N+](C)(C)CCCO[C@@H]1CCc2nccn2C1 ZINC001224621235 973802981 /nfs/dbraw/zinc/80/29/81/973802981.db2.gz OXTVSMVAWRNXJV-GFCCVEGCSA-N 1 0 238.355 1.311 20 5 BDBDRO C[C@@H](O)CCCC(=O)OCCC[N+](C)(C)C ZINC001224623015 973804390 /nfs/dbraw/zinc/80/43/90/973804390.db2.gz JXLMOVOVBRSZCX-LLVKDONJSA-N 1 0 232.344 1.177 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(N)=O)cc1 ZINC001225298746 974378231 /nfs/dbraw/zinc/37/82/31/974378231.db2.gz OHSFMVFOYZBBLA-JTQLQIEISA-O 1 0 237.323 1.259 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1C(N)=O ZINC001225300274 974382207 /nfs/dbraw/zinc/38/22/07/974382207.db2.gz LJPITHLHMYJFOT-SNVBAGLBSA-O 1 0 237.323 1.259 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cccnc1[N+](=O)[O-] ZINC001225630510 974607950 /nfs/dbraw/zinc/60/79/50/974607950.db2.gz ZFKXBPHEKUZMRY-SECBINFHSA-N 1 0 240.283 1.463 20 5 BDBDRO CCc1nc(O[C@H](C)C[N+](C)(C)C)cc(=O)[nH]1 ZINC001226475951 974922674 /nfs/dbraw/zinc/92/26/74/974922674.db2.gz PAGAPDSGPCPSIF-SECBINFHSA-O 1 0 240.327 1.218 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1nc(Cl)ncc1F ZINC001226740819 975055094 /nfs/dbraw/zinc/05/50/94/975055094.db2.gz KFSRCFGSAMYTIP-SSDOTTSWSA-N 1 0 248.709 1.743 20 5 BDBDRO Cc1cc(O[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC001226840089 975113663 /nfs/dbraw/zinc/11/36/63/975113663.db2.gz CCEDFXGBDVFLIN-NSHDSACASA-N 1 0 236.271 1.986 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(O[C@H](C)C[NH+](C)C)n1 ZINC001227063002 975248873 /nfs/dbraw/zinc/24/88/73/975248873.db2.gz XNTJDWBLRWDNHY-SECBINFHSA-N 1 0 239.275 1.627 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)ccc1O ZINC001227404606 975382040 /nfs/dbraw/zinc/38/20/40/975382040.db2.gz OIXVIPFUDQMKEX-VIFPVBQESA-O 1 0 226.296 1.571 20 5 BDBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Cl)cc1O ZINC001227983921 975828316 /nfs/dbraw/zinc/82/83/16/975828316.db2.gz WKVUJNMZJBEQTF-QMMMGPOBSA-O 1 0 245.730 1.914 20 5 BDBDRO CC[N@@H+]1CC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227988089 975833294 /nfs/dbraw/zinc/83/32/94/975833294.db2.gz NQEAPIKQZPVFJN-SNVBAGLBSA-N 1 0 237.259 1.463 20 5 BDBDRO Cc1c(C)c(=O)[nH]nc1O[C@@H](C)C[N+](C)(C)C ZINC001228153675 975957402 /nfs/dbraw/zinc/95/74/02/975957402.db2.gz GHWSOMKUMPWHBA-QMMMGPOBSA-O 1 0 240.327 1.273 20 5 BDBDRO C[N@@H+]1CCC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228879995 976547548 /nfs/dbraw/zinc/54/75/48/976547548.db2.gz OAYLBOHDNYVANC-SECBINFHSA-N 1 0 237.259 1.463 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1CNC2=O ZINC001228900352 976568236 /nfs/dbraw/zinc/56/82/36/976568236.db2.gz ICFVYCRJHDUTMZ-SNVBAGLBSA-O 1 0 249.334 1.404 20 5 BDBDRO C[C@H](C[N+](C)(C)C)Oc1cccoc1=O ZINC001229094665 976724040 /nfs/dbraw/zinc/72/40/40/976724040.db2.gz KVWWFJIUNRSUGQ-SECBINFHSA-N 1 0 212.269 1.113 20 5 BDBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CC[N+](=O)[O-] ZINC001335222813 976889936 /nfs/dbraw/zinc/88/99/36/976889936.db2.gz SCWMLWKWMZLFDG-PWSUYJOCSA-N 1 0 238.287 1.017 20 5 BDBDRO C[N@H+](CC[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC001335894845 977352332 /nfs/dbraw/zinc/35/23/32/977352332.db2.gz ZMSRELWWUJOOMK-UHFFFAOYSA-N 1 0 234.299 1.927 20 5 BDBDRO Cc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1 ZINC001336295317 977622084 /nfs/dbraw/zinc/62/20/84/977622084.db2.gz NWCGOZAVYJVKFB-UHFFFAOYSA-N 1 0 208.261 1.404 20 5 BDBDRO Cc1nc(CNc2cccnc2[N+](=O)[O-])[nH]c1C ZINC001337970800 978579636 /nfs/dbraw/zinc/57/96/36/978579636.db2.gz KAKHNBPZTSTRGN-UHFFFAOYSA-N 1 0 247.258 1.942 20 5 BDBDRO CCn1c(C)nnc1O[C@@H](C)C[N+](C)(C)C ZINC001234093737 978772252 /nfs/dbraw/zinc/77/22/52/978772252.db2.gz RJMDCQUQZCTUBT-VIFPVBQESA-N 1 0 227.332 1.080 20 5 BDBDRO Cc1ccnc(N2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000070496504 978851271 /nfs/dbraw/zinc/85/12/71/978851271.db2.gz UCFACTAHWCTKJN-UHFFFAOYSA-N 1 0 236.275 1.226 20 5 BDBDRO Cc1cc(SCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001458251101 985283069 /nfs/dbraw/zinc/28/30/69/985283069.db2.gz FLTUKNYLMNLTEP-UHFFFAOYSA-N 1 0 241.316 1.952 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CC(O)C1)C2 ZINC001254567361 986674140 /nfs/dbraw/zinc/67/41/40/986674140.db2.gz MZXYJCXOGZTIRQ-ZBOXLXRLSA-N 1 0 248.282 1.175 20 5 BDBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H](C)C[NH+](C)C ZINC001322594864 988335487 /nfs/dbraw/zinc/33/54/87/988335487.db2.gz INFKJOAJIXYQAQ-VIFPVBQESA-N 1 0 238.291 1.082 20 5 BDBDRO CN(C[C@@H]1CCC[NH2+]1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246888170 988653274 /nfs/dbraw/zinc/65/32/74/988653274.db2.gz GMFANJKDSWBXOB-WOPDTQHZSA-N 1 0 241.335 1.116 20 5 BDBDRO Cc1cc(C(=O)NCC2([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001122349816 990352698 /nfs/dbraw/zinc/35/26/98/990352698.db2.gz WAGJGILREYDAKG-UHFFFAOYSA-N 1 0 249.270 1.124 20 5 BDBDRO COC[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000135164760 398141377 /nfs/dbraw/zinc/14/13/77/398141377.db2.gz 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[NH3+]C1(CNCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000594739307 348110489 /nfs/dbraw/zinc/11/04/89/348110489.db2.gz UKNNMFBAMWSEHW-UHFFFAOYSA-N 1 0 249.314 1.956 20 5 BDBDRO C[C@@H]([NH2+]C/C=C\CO)c1cccc([N+](=O)[O-])c1 ZINC000595073202 348188764 /nfs/dbraw/zinc/18/87/64/348188764.db2.gz SZXGTYPUNLCOHV-MXQLGCADSA-N 1 0 236.271 1.794 20 5 BDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1C[C@H](O)C1 ZINC000595102884 348195818 /nfs/dbraw/zinc/19/58/18/348195818.db2.gz KEMQYOVFKJGXOM-KBVBSXBZSA-N 1 0 248.282 1.695 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595810902 348350569 /nfs/dbraw/zinc/35/05/69/348350569.db2.gz PPQBVMQCHRZVPU-NXEZZACHSA-N 1 0 236.275 1.133 20 5 BDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595766920 348334839 /nfs/dbraw/zinc/33/48/39/348334839.db2.gz MVYUNOGIFLUOCF-WCQYABFASA-N 1 0 248.282 1.552 20 5 BDBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC3(COC3)C2)c1 ZINC000595833973 348367332 /nfs/dbraw/zinc/36/73/32/348367332.db2.gz FWPOZFSKRZIIIL-UHFFFAOYSA-N 1 0 248.282 1.817 20 5 BDBDRO C[NH2+]C[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000596103160 348439627 /nfs/dbraw/zinc/43/96/27/348439627.db2.gz BLFGSVSMVPOMBA-SSDOTTSWSA-N 1 0 229.305 1.354 20 5 BDBDRO Cc1ncc(C2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000596636827 348598949 /nfs/dbraw/zinc/59/89/49/348598949.db2.gz VZEDWBABWZBUCL-UHFFFAOYSA-N 1 0 219.244 1.675 20 5 BDBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000599016861 349082073 /nfs/dbraw/zinc/08/20/73/349082073.db2.gz VJIIWCWIYQWZLO-UMSPYCQHSA-N 1 0 236.271 1.862 20 5 BDBDRO CO[C@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000228573499 350546902 /nfs/dbraw/zinc/54/69/02/350546902.db2.gz UGNNQTRDJNFNIK-SNVBAGLBSA-N 1 0 238.287 1.762 20 5 BDBDRO O=[N+]([O-])c1ccc(CNCCC[NH2+]C2CC2)cc1 ZINC000382600141 350893924 /nfs/dbraw/zinc/89/39/24/350893924.db2.gz QLOCFRUFCIRECC-UHFFFAOYSA-N 1 0 249.314 1.827 20 5 BDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCN2CCCC2)c1 ZINC000020127022 363002047 /nfs/dbraw/zinc/00/20/47/363002047.db2.gz CCHZISJXWOOSMD-UHFFFAOYSA-N 1 0 249.314 1.780 20 5 BDBDRO CC[NH2+]Cc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000090299972 363033854 /nfs/dbraw/zinc/03/38/54/363033854.db2.gz BCOQNEKZRLDFQZ-UHFFFAOYSA-N 1 0 247.258 1.285 20 5 BDBDRO C[NH2+]C[C@H](C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000414846697 351847785 /nfs/dbraw/zinc/84/77/85/351847785.db2.gz UXKYSLMNKDNLRQ-JTQLQIEISA-N 1 0 237.303 1.540 20 5 BDBDRO C[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000230732285 352318441 /nfs/dbraw/zinc/31/84/41/352318441.db2.gz JZJVCZACQNMIJF-LBPRGKRZSA-N 1 0 249.270 1.077 20 5 BDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCCCC2)c1 ZINC000073529018 352365680 /nfs/dbraw/zinc/36/56/80/352365680.db2.gz SEESFHOWVXCXII-UHFFFAOYSA-N 1 0 224.264 1.277 20 5 BDBDRO CC(C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063020446 188487157 /nfs/dbraw/zinc/48/71/57/188487157.db2.gz ZALNAPQXOBXRIF-UHFFFAOYSA-N 1 0 237.259 1.062 20 5 BDBDRO C[C@@H](C[NH3+])Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000420249280 192187094 /nfs/dbraw/zinc/18/70/94/192187094.db2.gz RHAZLKDHGVDLOG-ZETCQYMHSA-N 1 0 247.258 1.297 20 5 BDBDRO [NH3+][C@@H](CNc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000168240350 134160599 /nfs/dbraw/zinc/16/05/99/134160599.db2.gz XYRUQBLIHKKTKB-VIFPVBQESA-N 1 0 222.248 1.139 20 5 BDBDRO Cc1cnc(OC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692861 363565840 /nfs/dbraw/zinc/56/58/40/363565840.db2.gz IAKUYELISADKRP-SECBINFHSA-N 1 0 237.259 1.287 20 5 BDBDRO [NH3+]C1(CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000094293525 356712938 /nfs/dbraw/zinc/71/29/38/356712938.db2.gz WZLRKLYJWFVCHM-UHFFFAOYSA-N 1 0 249.270 1.805 20 5 BDBDRO C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035602089 358002353 /nfs/dbraw/zinc/00/23/53/358002353.db2.gz ARAFFDMCUWTKMH-ZETCQYMHSA-N 1 0 244.678 1.719 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCO)cc1 ZINC000035677781 358088030 /nfs/dbraw/zinc/08/80/30/358088030.db2.gz BBIRIFIRIAEEAN-UHFFFAOYSA-N 1 0 224.260 1.109 20 5 BDBDRO 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/nfs/dbraw/zinc/83/29/72/371832972.db2.gz WGEOBCWCKLQEOT-RKDXNWHRSA-N 1 0 236.275 1.170 20 5 BDBDRO CC(C)C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602438469 371804045 /nfs/dbraw/zinc/80/40/45/371804045.db2.gz RCCBGMJTZVCUMV-UHFFFAOYSA-N 1 0 226.280 1.416 20 5 BDBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602486430 371813453 /nfs/dbraw/zinc/81/34/53/371813453.db2.gz UFIFTMWNXHQEPQ-DTWKUNHWSA-N 1 0 238.291 1.559 20 5 BDBDRO CCc1ccc(OCC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000306099664 371988604 /nfs/dbraw/zinc/98/86/04/371988604.db2.gz OZFOVSXPUJCSJB-UHFFFAOYSA-N 1 0 236.271 1.755 20 5 BDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000071397034 182295310 /nfs/dbraw/zinc/29/53/10/182295310.db2.gz PWMLRWDTRVJDTF-SNVBAGLBSA-N 1 0 249.270 1.077 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCO)c(Cl)c1 ZINC000049963350 384072796 /nfs/dbraw/zinc/07/27/96/384072796.db2.gz IZPQWTTYWHTPJP-UHFFFAOYSA-N 1 0 230.651 1.330 20 5 BDBDRO C[NH+](C)CC(C)(C)Nc1ncc([N+](=O)[O-])s1 ZINC000308649324 384340025 /nfs/dbraw/zinc/34/00/25/384340025.db2.gz XOCOSABZSYKZLA-UHFFFAOYSA-N 1 0 244.320 1.803 20 5 BDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[NH+](C)C)n1 ZINC000359084299 384376376 /nfs/dbraw/zinc/37/63/76/384376376.db2.gz QFNDIWRXLGQFEK-UHFFFAOYSA-N 1 0 238.291 1.580 20 5 BDBDRO C[C@H](CCO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000097436121 384520693 /nfs/dbraw/zinc/52/06/93/384520693.db2.gz BVKJNTFKBGRARF-SNVBAGLBSA-N 1 0 238.287 1.703 20 5 BDBDRO CC[N@H+](C)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000054128023 384822894 /nfs/dbraw/zinc/82/28/94/384822894.db2.gz PWLDDDBSSKNGSE-UHFFFAOYSA-N 1 0 241.295 1.000 20 5 BDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000071300353 384804287 /nfs/dbraw/zinc/80/42/87/384804287.db2.gz BKTOTBMRVRXDLF-LBPRGKRZSA-N 1 0 236.271 1.455 20 5 BDBDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000147765138 384857576 /nfs/dbraw/zinc/85/75/76/384857576.db2.gz CQBQEXWLWQKIDL-KOLCDFICSA-N 1 0 236.271 1.862 20 5 BDBDRO C[C@@H](N[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000235096298 385061559 /nfs/dbraw/zinc/06/15/59/385061559.db2.gz BNCNDUCLHWYKMW-DTWKUNHWSA-N 1 0 223.276 1.593 20 5 BDBDRO CO[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000167063397 385025064 /nfs/dbraw/zinc/02/50/64/385025064.db2.gz OHJIJGKGIYEUMH-SECBINFHSA-N 1 0 224.260 1.719 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCOC1 ZINC000110514518 385241618 /nfs/dbraw/zinc/24/16/18/385241618.db2.gz PUFQYBZWGBZALD-LLVKDONJSA-N 1 0 236.271 1.863 20 5 BDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCO)CCC2 ZINC000192613759 385365351 /nfs/dbraw/zinc/36/53/51/385365351.db2.gz YTCFCNCHLUEPKY-GFCCVEGCSA-N 1 0 236.271 1.554 20 5 BDBDRO C[C@H](C[NH3+])NCc1ccccc1[N+](=O)[O-] ZINC000235455800 259673582 /nfs/dbraw/zinc/67/35/82/259673582.db2.gz FCTTUFIVASHQNU-MRVPVSSYSA-N 1 0 209.249 1.032 20 5 BDBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000293520254 385750732 /nfs/dbraw/zinc/75/07/32/385750732.db2.gz VZJITJKRYKSLIC-BDAKNGLRSA-N 1 0 224.264 1.132 20 5 BDBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCCC1 ZINC000331058521 385883550 /nfs/dbraw/zinc/88/35/50/385883550.db2.gz MMTHQOXKIYHZKD-UHFFFAOYSA-N 1 0 238.291 1.703 20 5 BDBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000357052202 386367109 /nfs/dbraw/zinc/36/71/09/386367109.db2.gz NMVOIPBUYCMGJV-GQCTYLIASA-N 1 0 247.298 1.512 20 5 BDBDRO CC(C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926302 386370974 /nfs/dbraw/zinc/37/09/74/386370974.db2.gz YGSRBWJXDRODGT-UHFFFAOYSA-N 1 0 224.260 1.455 20 5 BDBDRO C[C@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000151260425 386492860 /nfs/dbraw/zinc/49/28/60/386492860.db2.gz ZKCZVIBHVHJVTL-GXSJLCMTSA-N 1 0 238.291 1.570 20 5 BDBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](CO)C1 ZINC000051886643 386566342 /nfs/dbraw/zinc/56/63/42/386566342.db2.gz ZBCHIJPIUPJUAH-JTQLQIEISA-N 1 0 236.271 1.409 20 5 BDBDRO [NH3+]CCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000414705691 386730261 /nfs/dbraw/zinc/73/02/61/386730261.db2.gz XEJWIOILKRZPRK-UHFFFAOYSA-N 1 0 235.287 1.302 20 5 BDBDRO C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294608928 386820570 /nfs/dbraw/zinc/82/05/70/386820570.db2.gz DQFUQXMCIMVINP-SFYZADRCSA-N 1 0 239.275 1.208 20 5 BDBDRO CC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000186518717 386994565 /nfs/dbraw/zinc/99/45/65/386994565.db2.gz ZEIIMVRUZHLOAN-NSHDSACASA-N 1 0 238.287 1.764 20 5 BDBDRO CC(C)[C@@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1 ZINC000414800642 387070121 /nfs/dbraw/zinc/07/01/21/387070121.db2.gz SJPOJKLIOCIZGY-LBPRGKRZSA-N 1 0 237.303 1.668 20 5 BDBDRO CC[N@H+](C)CCNCc1ccccc1[N+](=O)[O-] ZINC000054110077 387123780 /nfs/dbraw/zinc/12/37/80/387123780.db2.gz JURDKNWDRXSIGA-UHFFFAOYSA-N 1 0 237.303 1.636 20 5 BDBDRO C[NH2+]CCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414826423 387266632 /nfs/dbraw/zinc/26/66/32/387266632.db2.gz VVLMPAXZQJLMIT-XQRVVYSFSA-N 1 0 235.287 1.417 20 5 BDBDRO C[C@@H](O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000227953766 388374334 /nfs/dbraw/zinc/37/43/34/388374334.db2.gz AKROKVYGWPUJFM-SNVBAGLBSA-N 1 0 238.287 1.845 20 5 BDBDRO CC[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171646772 388405735 /nfs/dbraw/zinc/40/57/35/388405735.db2.gz HKXXQMKPUZGJRL-NSHDSACASA-N 1 0 238.287 1.798 20 5 BDBDRO [NH3+][C@H](CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000134148631 388393824 /nfs/dbraw/zinc/39/38/24/388393824.db2.gz HGXFXXHXIPZCNA-SECBINFHSA-N 1 0 221.260 1.744 20 5 BDBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])nc1 ZINC000054613578 388428088 /nfs/dbraw/zinc/42/80/88/388428088.db2.gz UHVVRBDSNHNYLZ-UHFFFAOYSA-N 1 0 238.291 1.744 20 5 BDBDRO [NH3+][C@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000422948932 388686557 /nfs/dbraw/zinc/68/65/57/388686557.db2.gz SGQRIMNAZKBFNO-NWDGAFQWSA-N 1 0 235.287 1.564 20 5 BDBDRO C[C@H](C[NH3+])N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423333190 388690865 /nfs/dbraw/zinc/69/08/65/388690865.db2.gz RERYEQVOXZTGEM-BDAKNGLRSA-N 1 0 223.276 1.593 20 5 BDBDRO CC[C@@H]([NH3+])CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423481463 388692464 /nfs/dbraw/zinc/69/24/64/388692464.db2.gz WSTLMWSCMKKGTP-MWLCHTKSSA-N 1 0 237.303 1.983 20 5 BDBDRO C[C@@H]([NH3+])CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000430384015 388726745 /nfs/dbraw/zinc/72/67/45/388726745.db2.gz JUHZBIVDQSMTFS-MRVPVSSYSA-N 1 0 249.270 1.221 20 5 BDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)nc1 ZINC000280241921 388781780 /nfs/dbraw/zinc/78/17/80/388781780.db2.gz MNFONONOPIKVCH-UHFFFAOYSA-N 1 0 248.286 1.664 20 5 BDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000332472958 388790242 /nfs/dbraw/zinc/79/02/42/388790242.db2.gz SNNQHRIJTXDJLF-UHFFFAOYSA-N 1 0 236.271 1.550 20 5 BDBDRO Cc1ccc(C[NH2+][C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000096811558 388825678 /nfs/dbraw/zinc/82/56/78/388825678.db2.gz YFUHABVSRWVJOB-JTQLQIEISA-N 1 0 238.287 1.764 20 5 BDBDRO [NH3+][C@@H](CNc1ncccc1[N+](=O)[O-])C1CC1 ZINC000168236126 134160681 /nfs/dbraw/zinc/16/06/81/134160681.db2.gz GFUBFWRHIHYHFF-QMMMGPOBSA-N 1 0 222.248 1.139 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261539938 135178417 /nfs/dbraw/zinc/17/84/17/135178417.db2.gz COCJGJGMXGLZNN-NXEZZACHSA-N 1 0 235.287 1.687 20 5 BDBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261541582 135181718 /nfs/dbraw/zinc/18/17/18/135181718.db2.gz KOIVJMAENFPMPW-PSASIEDQSA-N 1 0 236.275 1.082 20 5 BDBDRO C[C@H](C[NH3+])N(C)Cc1csc([N+](=O)[O-])c1 ZINC000261551048 135189900 /nfs/dbraw/zinc/18/99/00/135189900.db2.gz QAACLNUIKZPLPR-SSDOTTSWSA-N 1 0 229.305 1.435 20 5 BDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261551444 135190707 /nfs/dbraw/zinc/19/07/07/135190707.db2.gz VEUXLFKUQWFQIN-GIPNMCIBSA-N 1 0 249.314 1.935 20 5 BDBDRO C[C@H]1[C@@H]([NH3+])CCN1c1c(F)cccc1[N+](=O)[O-] ZINC000261557471 135197632 /nfs/dbraw/zinc/19/76/32/135197632.db2.gz RTPASTYECUJGID-CBAPKCEASA-N 1 0 239.250 1.660 20 5 BDBDRO Cc1cnc(N2CC[C@H]([NH3+])[C@H]2C)c([N+](=O)[O-])c1 ZINC000261560440 135200949 /nfs/dbraw/zinc/20/09/49/135200949.db2.gz UPPROPXKGSKVOT-BDAKNGLRSA-N 1 0 236.275 1.224 20 5 BDBDRO Cc1cnc(N2CC[C@@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000261560441 135201195 /nfs/dbraw/zinc/20/11/95/135201195.db2.gz UPPROPXKGSKVOT-DTWKUNHWSA-N 1 0 236.275 1.224 20 5 BDBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000261561133 135201842 /nfs/dbraw/zinc/20/18/42/135201842.db2.gz VEQNYNPEZZRUTP-CABZTGNLSA-N 1 0 235.287 1.516 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH3+])[C@@H]2C)n1 ZINC000261564550 135206959 /nfs/dbraw/zinc/20/69/59/135206959.db2.gz XSFHVQVUPHZNNI-IUCAKERBSA-N 1 0 236.275 1.224 20 5 BDBDRO C[C@@H]1[C@@H]([NH3+])CCN1Cc1csc([N+](=O)[O-])c1 ZINC000261570119 135212119 /nfs/dbraw/zinc/21/21/19/135212119.db2.gz GRFSDKQIGHATBO-APPZFPTMSA-N 1 0 241.316 1.578 20 5 BDBDRO C[C@@H]([NH3+])[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000261577851 135219065 /nfs/dbraw/zinc/21/90/65/135219065.db2.gz LLPACICQNAPHOL-RKDXNWHRSA-N 1 0 223.276 1.420 20 5 BDBDRO O=[N+]([O-])c1cccnc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261585614 135227179 /nfs/dbraw/zinc/22/71/79/135227179.db2.gz TXYQNRNYHOGOCM-UWVGGRQHSA-N 1 0 248.286 1.178 20 5 BDBDRO C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000261586972 135227754 /nfs/dbraw/zinc/22/77/54/135227754.db2.gz RLFHQIFKORFSGW-NKWVEPMBSA-N 1 0 227.239 1.882 20 5 BDBDRO CC[NH+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000078387073 135393654 /nfs/dbraw/zinc/39/36/54/135393654.db2.gz IDMMRLLCFPROFW-UHFFFAOYSA-N 1 0 212.253 1.133 20 5 BDBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CC[NH2+]C1 ZINC000086729648 135495531 /nfs/dbraw/zinc/49/55/31/135495531.db2.gz HPHNXUGPVUKJHF-SNVBAGLBSA-N 1 0 221.260 1.046 20 5 BDBDRO C[NH2+]CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000087544511 135508418 /nfs/dbraw/zinc/50/84/18/135508418.db2.gz CVHQVJNEIASWIH-UHFFFAOYSA-N 1 0 225.248 1.235 20 5 BDBDRO Cc1ccc(CN2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000346658572 135945883 /nfs/dbraw/zinc/94/58/83/135945883.db2.gz RIZFFOMBPXKWIB-UHFFFAOYSA-N 1 0 249.314 1.699 20 5 BDBDRO CC(C)(C)CC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000188133229 166571036 /nfs/dbraw/zinc/57/10/36/166571036.db2.gz XVQMEPVMLGLZAN-UHFFFAOYSA-N 1 0 240.307 1.817 20 5 BDBDRO CC(C)NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000052926124 167035892 /nfs/dbraw/zinc/03/58/92/167035892.db2.gz UZNHPHKDRZHJMW-UHFFFAOYSA-N 1 0 236.275 1.617 20 5 BDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000086466615 411405867 /nfs/dbraw/zinc/40/58/67/411405867.db2.gz DDTIGYXZXOLBTF-MNOVXSKESA-N 1 0 249.314 1.777 20 5 BDBDRO CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000071312045 169912802 /nfs/dbraw/zinc/91/28/02/169912802.db2.gz OCHGCVWROCKMQH-CYBMUJFWSA-N 1 0 249.314 1.779 20 5 BDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000082578572 170865415 /nfs/dbraw/zinc/86/54/15/170865415.db2.gz AWKYCOWBZSKFEE-ZCFIWIBFSA-N 1 0 243.288 1.123 20 5 BDBDRO CC[C@H]([NH3+])CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000082578609 171485367 /nfs/dbraw/zinc/48/53/67/171485367.db2.gz VQPRYWXENUAMMV-ZETCQYMHSA-N 1 0 243.288 1.123 20 5 BDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH+](C)C ZINC000288210903 172137534 /nfs/dbraw/zinc/13/75/34/172137534.db2.gz UMMIQHRUJBVMMS-UHFFFAOYSA-N 1 0 241.295 1.093 20 5 BDBDRO C[NH+](C)C(C)(C)CNc1ncccc1[N+](=O)[O-] ZINC000024107484 172397285 /nfs/dbraw/zinc/39/72/85/172397285.db2.gz XWQLIYFQMRQUTL-UHFFFAOYSA-N 1 0 238.291 1.742 20 5 BDBDRO CN1CCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000122040526 173057197 /nfs/dbraw/zinc/05/71/97/173057197.db2.gz CRSYGYDBRGVXBZ-ZDUSSCGKSA-N 1 0 249.314 1.779 20 5 BDBDRO C[N@@H+]1CC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000037647792 173146352 /nfs/dbraw/zinc/14/63/52/173146352.db2.gz DWRNOXAGLQOZBR-SNVBAGLBSA-N 1 0 235.287 1.958 20 5 BDBDRO C[NH2+]C(C)(C)CNc1ncccc1[N+](=O)[O-] ZINC000269941866 173320083 /nfs/dbraw/zinc/32/00/83/173320083.db2.gz GTRHWBRLXIBPBO-UHFFFAOYSA-N 1 0 224.264 1.400 20 5 BDBDRO C[NH2+]CCCNCc1ccccc1[N+](=O)[O-] ZINC000083352640 173349635 /nfs/dbraw/zinc/34/96/35/173349635.db2.gz SJAQUFSMHPZLHE-UHFFFAOYSA-N 1 0 223.276 1.294 20 5 BDBDRO C[NH2+]CCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070303363 173353665 /nfs/dbraw/zinc/35/36/65/173353665.db2.gz KXQULHCCCPMWBE-JTQLQIEISA-N 1 0 237.303 1.807 20 5 BDBDRO C[NH2+]CCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000069800848 173353751 /nfs/dbraw/zinc/35/37/51/173353751.db2.gz NEBPRMGGRFNKNV-UHFFFAOYSA-N 1 0 223.276 1.246 20 5 BDBDRO C[NH2+]CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000234385763 173356968 /nfs/dbraw/zinc/35/69/68/173356968.db2.gz HDWZNOMZHWBPMH-UHFFFAOYSA-N 1 0 229.667 1.880 20 5 BDBDRO C[NH2+]CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000162159245 173357073 /nfs/dbraw/zinc/35/70/73/173357073.db2.gz CSCAMBLYYSGRKK-UHFFFAOYSA-N 1 0 246.270 1.774 20 5 BDBDRO C[NH2+]C[C@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000226783780 173380902 /nfs/dbraw/zinc/38/09/02/173380902.db2.gz HXHISXWUMAWNMB-SSDOTTSWSA-N 1 0 242.304 1.240 20 5 BDBDRO C[NH2+]C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000109347936 173381882 /nfs/dbraw/zinc/38/18/82/173381882.db2.gz RVRFFGWXVMTTQZ-GFCCVEGCSA-N 1 0 249.314 1.636 20 5 BDBDRO C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000123214927 173465952 /nfs/dbraw/zinc/46/59/52/173465952.db2.gz FJLPFWZZSITCGI-QWRGUYRKSA-N 1 0 249.314 1.950 20 5 BDBDRO COc1cc(NCC[NH3+])c([N+](=O)[O-])cc1F ZINC000082474291 175002597 /nfs/dbraw/zinc/00/25/97/175002597.db2.gz QDERWYICNVCLGW-UHFFFAOYSA-N 1 0 229.211 1.113 20 5 BDBDRO COc1cc(N[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111051352 175004306 /nfs/dbraw/zinc/00/43/06/175004306.db2.gz NQHOZQVSVUJYJO-SECBINFHSA-N 1 0 237.259 1.377 20 5 BDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000177872716 176169530 /nfs/dbraw/zinc/16/95/30/176169530.db2.gz AFAOFKSTHYSENB-NXEZZACHSA-N 1 0 238.291 1.522 20 5 BDBDRO C[C@@H]1C[NH+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000267703251 176295107 /nfs/dbraw/zinc/29/51/07/176295107.db2.gz UXMHOTIDYWEESS-NXEZZACHSA-N 1 0 238.291 1.379 20 5 BDBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235374636 176307890 /nfs/dbraw/zinc/30/78/90/176307890.db2.gz XHEIGYAMHIRQSH-KOLCDFICSA-N 1 0 235.287 1.374 20 5 BDBDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000229600926 176460013 /nfs/dbraw/zinc/46/00/13/176460013.db2.gz PKYQVRANEWEJAD-WCBMZHEXSA-N 1 0 236.275 1.542 20 5 BDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000123177283 177186019 /nfs/dbraw/zinc/18/60/19/177186019.db2.gz RYMNXFNIYBGLKI-AOOOYVTPSA-N 1 0 238.291 1.664 20 5 BDBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000235662469 177228061 /nfs/dbraw/zinc/22/80/61/177228061.db2.gz ITVGDKCKCGUORZ-GZMMTYOYSA-N 1 0 249.270 1.014 20 5 BDBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000339562927 177256603 /nfs/dbraw/zinc/25/66/03/177256603.db2.gz OWZZQFCLJUXDLB-IUCAKERBSA-N 1 0 224.264 1.132 20 5 BDBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351783320 177263943 /nfs/dbraw/zinc/26/39/43/177263943.db2.gz RKWHIXOZNFGJPH-CABZTGNLSA-N 1 0 236.271 1.407 20 5 BDBDRO Cc1ncc([N+](=O)[O-])n1CC[C@H]1CCC[NH2+]C1 ZINC000567809056 326260488 /nfs/dbraw/zinc/26/04/88/326260488.db2.gz HNODXCOEACRELP-SNVBAGLBSA-N 1 0 238.291 1.489 20 5 BDBDRO C[NH2+][C@@H](C)CNc1ccc([N+](=O)[O-])cc1 ZINC000261531638 536344899 /nfs/dbraw/zinc/34/48/99/536344899.db2.gz HIYHKMFTWFFYJN-QMMMGPOBSA-N 1 0 209.249 1.615 20 5 BDBDRO C[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])cc1F ZINC000261564071 536404315 /nfs/dbraw/zinc/40/43/15/536404315.db2.gz CFDYGIDBOHOKCO-SSDOTTSWSA-N 1 0 227.239 1.754 20 5 BDBDRO C[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000053204931 536415338 /nfs/dbraw/zinc/41/53/38/536415338.db2.gz JLQIAMWOZOTALI-VIFPVBQESA-N 1 0 236.275 1.178 20 5 BDBDRO C[C@H]([NH3+])CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000215564460 582820422 /nfs/dbraw/zinc/82/04/22/582820422.db2.gz ASYNDMHMOCPHHW-WYDVEAGSSA-N 1 0 249.270 1.071 20 5 BDBDRO O=[N+]([O-])c1cccc(CNC2=[NH+]CCCCN2)c1 ZINC000829301447 582855197 /nfs/dbraw/zinc/85/51/97/582855197.db2.gz HHEAVXHYIRCKCJ-UHFFFAOYSA-N 1 0 248.286 1.424 20 5 BDBDRO C[N@@H+]1C[C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@@H]2C1 ZINC000893934579 583252541 /nfs/dbraw/zinc/25/25/41/583252541.db2.gz IDNMCALKBJNFIO-GXSJLCMTSA-N 1 0 248.286 1.130 20 5 BDBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000791053009 583385265 /nfs/dbraw/zinc/38/52/65/583385265.db2.gz RQELIHABLHBZRL-NSHDSACASA-N 1 0 212.293 1.918 20 5 BDBDRO CC1=NO[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000895311860 583646856 /nfs/dbraw/zinc/64/68/56/583646856.db2.gz STGIDFRCVKYDLC-LBPRGKRZSA-N 1 0 249.270 1.849 20 5 BDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000858563583 588966129 /nfs/dbraw/zinc/96/61/29/588966129.db2.gz ZQGPFFLHUVMNET-ITGUQSILSA-N 1 0 247.298 1.591 20 5 BDBDRO Cc1nn(C[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000899629460 584222156 /nfs/dbraw/zinc/22/21/56/584222156.db2.gz HLKJJSRAJFJWBY-SNVBAGLBSA-N 1 0 238.291 1.489 20 5 BDBDRO CN(C)[C@@H](C[NH2+]CC[N+](=O)[O-])c1cccs1 ZINC000899859672 584242414 /nfs/dbraw/zinc/24/24/14/584242414.db2.gz MBGWLCJGNWBWCJ-VIFPVBQESA-N 1 0 243.332 1.217 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCc2ccccc2CC1 ZINC000791053431 585973105 /nfs/dbraw/zinc/97/31/05/585973105.db2.gz SRQPFWOYRMBGSW-UHFFFAOYSA-N 1 0 220.272 1.364 20 5 BDBDRO Cc1ncsc1CN(C)CC[N+](=O)[O-] ZINC000798195979 586139781 /nfs/dbraw/zinc/13/97/81/586139781.db2.gz RNISVZJSCSUCCA-UHFFFAOYSA-N 1 0 215.278 1.160 20 5 BDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCC2)c1 ZINC000819033825 586926319 /nfs/dbraw/zinc/92/63/19/586926319.db2.gz KMKLJHGUVKKZEX-LBPRGKRZSA-N 1 0 236.271 1.770 20 5 BDBDRO C[C@@H]1[C@H](C)C[N@H+](Cn2nccc2[N+](=O)[O-])[C@H]1C ZINC000841688897 587972066 /nfs/dbraw/zinc/97/20/66/587972066.db2.gz HUVZACNFVJNSND-BBBLOLIVSA-N 1 0 238.291 1.725 20 5 BDBDRO CN(CCC[NH3+])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123287125 589688134 /nfs/dbraw/zinc/68/81/34/589688134.db2.gz YBTJKOJELHIASI-UHFFFAOYSA-N 1 0 241.266 1.515 20 5 BDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)O ZINC000873006642 589979062 /nfs/dbraw/zinc/97/90/62/589979062.db2.gz NNYXMQKWDOTBNR-SECBINFHSA-N 1 0 238.287 1.682 20 5 BDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC=C[C@@H]2CO)cc1 ZINC000880486944 591063181 /nfs/dbraw/zinc/06/31/81/591063181.db2.gz RJQZWCBQUKHAAY-CYBMUJFWSA-N 1 0 248.282 1.370 20 5 BDBDRO C[C@H](CNc1ccnc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000881848821 591274272 /nfs/dbraw/zinc/27/42/72/591274272.db2.gz BCSIZYXVRCRCHU-SSDOTTSWSA-N 1 0 242.254 1.491 20 5 BDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886329636 592209948 /nfs/dbraw/zinc/20/99/48/592209948.db2.gz HASVTOXDWALOHB-PHIMTYICSA-N 1 0 248.282 1.925 20 5 BDBDRO Cc1ccnc(N2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000036245116 635587101 /nfs/dbraw/zinc/58/71/01/635587101.db2.gz FJHVLUYSMDTUBF-UHFFFAOYSA-N 1 0 236.275 1.098 20 5 BDBDRO CC[NH2+]CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000044286656 632080487 /nfs/dbraw/zinc/08/04/87/632080487.db2.gz SRYYFTUTWBSABS-UHFFFAOYSA-N 1 0 223.232 1.143 20 5 BDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000310258766 632710611 /nfs/dbraw/zinc/71/06/11/632710611.db2.gz FZNGMNWWILNADN-MRVPVSSYSA-N 1 0 237.259 1.014 20 5 BDBDRO Cc1ccc(N(C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000309213799 632816032 /nfs/dbraw/zinc/81/60/32/632816032.db2.gz UIFUXGROGLGZRY-VIFPVBQESA-N 1 0 223.276 1.687 20 5 BDBDRO C[C@H]([NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000035697439 633991700 /nfs/dbraw/zinc/99/17/00/633991700.db2.gz LFBCIJDYEWUMHC-ZETCQYMHSA-N 1 0 248.242 1.535 20 5 BDBDRO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000089105845 636375001 /nfs/dbraw/zinc/37/50/01/636375001.db2.gz NKRAOJZJRRECMB-PSASIEDQSA-N 1 0 236.275 1.529 20 5 BDBDRO Cc1c(C[NH2+][C@@H]2CCN(C)C2)cccc1[N+](=O)[O-] ZINC000042546749 637281665 /nfs/dbraw/zinc/28/16/65/637281665.db2.gz COKUGSOGPVGCJR-GFCCVEGCSA-N 1 0 249.314 1.697 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCCn1cnc2ccccc21 ZINC000905024925 637573643 /nfs/dbraw/zinc/57/36/43/637573643.db2.gz KLWJMVMATCAUET-UHFFFAOYSA-N 1 0 248.286 1.293 20 5 BDBDRO COCc1cc(C[NH2+]CC[N+](=O)[O-])ccc1F ZINC000905101733 637611951 /nfs/dbraw/zinc/61/19/51/637611951.db2.gz NMPBCFAYWOENFN-UHFFFAOYSA-N 1 0 242.250 1.338 20 5 BDBDRO CC[C@@H]1CCCC[N@@H+]1CCNCC[N+](=O)[O-] ZINC000905114594 637620895 /nfs/dbraw/zinc/62/08/95/637620895.db2.gz OQNMNMQXONDPQG-LLVKDONJSA-N 1 0 229.324 1.117 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000905093664 637630706 /nfs/dbraw/zinc/63/07/06/637630706.db2.gz AFAFTOURMQZXKP-NSHDSACASA-N 1 0 224.235 1.679 20 5 BDBDRO Cc1cccc2[nH]cc(CC[NH2+]CC[N+](=O)[O-])c21 ZINC000905094756 637631744 /nfs/dbraw/zinc/63/17/44/637631744.db2.gz ARSOMWUBCSRYSO-UHFFFAOYSA-N 1 0 247.298 1.885 20 5 BDBDRO Cc1cccc2c1CC[C@H]2[NH2+]CC[N+](=O)[O-] ZINC000905095300 637633801 /nfs/dbraw/zinc/63/38/01/637633801.db2.gz RWERXIVXEFOKGB-GFCCVEGCSA-N 1 0 220.272 1.849 20 5 BDBDRO Cc1cccc2c1CC[C@@H]2[NH2+]CC[N+](=O)[O-] ZINC000905095301 637634968 /nfs/dbraw/zinc/63/49/68/637634968.db2.gz RWERXIVXEFOKGB-LBPRGKRZSA-N 1 0 220.272 1.849 20 5 BDBDRO CCCC1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905157430 637640020 /nfs/dbraw/zinc/64/00/20/637640020.db2.gz AOWCFWNETSOKCG-UHFFFAOYSA-N 1 0 200.282 1.823 20 5 BDBDRO CS[C@H]1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905132899 637644246 /nfs/dbraw/zinc/64/42/46/637644246.db2.gz BZQLRQXHKCPPGK-SFYZADRCSA-N 1 0 204.295 1.137 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CCc1cc2ccccc2o1 ZINC000905133362 637645085 /nfs/dbraw/zinc/64/50/85/637645085.db2.gz LDMNPYCTLTZPST-UHFFFAOYSA-N 1 0 234.255 1.842 20 5 BDBDRO CC[C@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905134329 637645275 /nfs/dbraw/zinc/64/52/75/637645275.db2.gz TZGCZGIXZHEGBO-UWVGGRQHSA-N 1 0 200.282 1.822 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000905138095 637645826 /nfs/dbraw/zinc/64/58/26/637645826.db2.gz OREXPUARIGUQAG-GHMZBOCLSA-N 1 0 212.293 1.822 20 5 BDBDRO Cc1cccc(O[C@H](C)C[NH2+]CC[N+](=O)[O-])c1 ZINC000905135277 637646611 /nfs/dbraw/zinc/64/66/11/637646611.db2.gz JOUVZJWIZCNIGA-LLVKDONJSA-N 1 0 238.287 1.629 20 5 BDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000905140186 637648869 /nfs/dbraw/zinc/64/88/69/637648869.db2.gz SXAGAPCWTFLEPL-GMTAPVOTSA-N 1 0 212.293 1.822 20 5 BDBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CCO1 ZINC000905192636 637670538 /nfs/dbraw/zinc/67/05/38/637670538.db2.gz WKQOTBRIPQODCA-ZJUUUORDSA-N 1 0 230.308 1.446 20 5 BDBDRO COc1cccc2c1CC[C@@H]2[NH2+]CC[N+](=O)[O-] ZINC000905168459 637680017 /nfs/dbraw/zinc/68/00/17/637680017.db2.gz LKKJRXVDMQHMGY-NSHDSACASA-N 1 0 236.271 1.549 20 5 BDBDRO CC1(C)CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905227696 637688831 /nfs/dbraw/zinc/68/88/31/637688831.db2.gz DZSYHHBHYDMFPN-SECBINFHSA-N 1 0 200.282 1.822 20 5 BDBDRO C[C@@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])CC1 ZINC000905231968 637691763 /nfs/dbraw/zinc/69/17/63/637691763.db2.gz VIVCVTRRJQIFOB-ZJUUUORDSA-N 1 0 200.282 1.822 20 5 BDBDRO COC1CCC(CC[NH2+]CC[N+](=O)[O-])CC1 ZINC000905208809 637697012 /nfs/dbraw/zinc/69/70/12/637697012.db2.gz NUPKRAZBNDNEKJ-UHFFFAOYSA-N 1 0 230.308 1.448 20 5 BDBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])c1nccs1 ZINC000905210508 637698108 /nfs/dbraw/zinc/69/81/08/637698108.db2.gz WHSMJNPVRYOEPL-ZETCQYMHSA-N 1 0 215.278 1.113 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000905267364 637721284 /nfs/dbraw/zinc/72/12/84/637721284.db2.gz KGTOSZPWYASHDX-RYUDHWBXSA-N 1 0 220.272 1.656 20 5 BDBDRO CSCC1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905271784 637729788 /nfs/dbraw/zinc/72/97/88/637729788.db2.gz CRRKLVZSKODYHP-UHFFFAOYSA-N 1 0 232.349 1.775 20 5 BDBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000905286725 637739381 /nfs/dbraw/zinc/73/93/81/637739381.db2.gz RFJIOMGOQVTZRW-QWRGUYRKSA-N 1 0 212.293 1.679 20 5 BDBDRO CC[C@@H](C[NH2+]CC[N+](=O)[O-])CC(F)(F)F ZINC000905286864 637739981 /nfs/dbraw/zinc/73/99/81/637739981.db2.gz SEEXYDCWAQBGDY-SSDOTTSWSA-N 1 0 228.214 1.831 20 5 BDBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000905351049 637770953 /nfs/dbraw/zinc/77/09/53/637770953.db2.gz QQWWCCWLEZUQJN-KWQFWETISA-N 1 0 242.250 1.114 20 5 BDBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000905351048 637771685 /nfs/dbraw/zinc/77/16/85/637771685.db2.gz QQWWCCWLEZUQJN-KCJUWKMLSA-N 1 0 242.250 1.114 20 5 BDBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC[N+](=O)[O-] ZINC000905380514 637782134 /nfs/dbraw/zinc/78/21/34/637782134.db2.gz GMLQADIXUSRELZ-ZYHUDNBSSA-N 1 0 238.287 1.017 20 5 BDBDRO O=[N+]([O-])CC[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000905675422 637887248 /nfs/dbraw/zinc/88/72/48/637887248.db2.gz PAFHHFBVGCSMMU-QMMMGPOBSA-N 1 0 222.235 1.678 20 5 BDBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930456516 639757920 /nfs/dbraw/zinc/75/79/20/639757920.db2.gz VDJABHDSXGKEJE-QWRGUYRKSA-N 1 0 230.308 1.279 20 5 BDBDRO Cc1c(C[NH2+]CCCO)cccc1[N+](=O)[O-] ZINC000035648945 639796820 /nfs/dbraw/zinc/79/68/20/639796820.db2.gz TVRIIERLOXDVHR-UHFFFAOYSA-N 1 0 224.260 1.375 20 5 BDBDRO CO[C@](C)([C@H](C)[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000930719219 639871227 /nfs/dbraw/zinc/87/12/27/639871227.db2.gz WJQSFGHWKCRBSH-WCBMZHEXSA-N 1 0 216.281 1.056 20 5 BDBDRO C[N@H+](CC[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000930750085 639896267 /nfs/dbraw/zinc/89/62/67/639896267.db2.gz FIUWGMSEPPAORM-UHFFFAOYSA-N 1 0 230.308 1.541 20 5 BDBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc(CC[NH3+])no1 ZINC000044747989 640462216 /nfs/dbraw/zinc/46/22/16/640462216.db2.gz NNHMRMJMASNQLT-UHFFFAOYSA-N 1 0 248.242 1.454 20 5 BDBDRO Cc1nn(C[C@H]2CCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000915323217 641819892 /nfs/dbraw/zinc/81/98/92/641819892.db2.gz YDKADPFXJBTFBC-SNVBAGLBSA-N 1 0 238.291 1.502 20 5 BDBDRO O=[N+]([O-])c1nccn1CCC[NH+]1CCCC1 ZINC000918379143 642192021 /nfs/dbraw/zinc/19/20/21/642192021.db2.gz SPVFYBVBUCXSHZ-UHFFFAOYSA-N 1 0 224.264 1.277 20 5 BDBDRO [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000093215869 644682644 /nfs/dbraw/zinc/68/26/44/644682644.db2.gz JKACJQIPAZOZPO-NEPJUHHUSA-N 1 0 249.314 1.954 20 5 BDBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000841689304 645223724 /nfs/dbraw/zinc/22/37/24/645223724.db2.gz IZPBMHDKBQAXRJ-KXUCPTDWSA-N 1 0 238.291 1.725 20 5 BDBDRO CC[N@H+](CC[N+](=O)[O-])C1CCCCC1 ZINC000929271814 646052447 /nfs/dbraw/zinc/05/24/47/646052447.db2.gz UKQYGQAMEBUQQD-UHFFFAOYSA-N 1 0 200.282 1.918 20 5 BDBDRO O=[N+]([O-])CC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000930171797 646472148 /nfs/dbraw/zinc/47/21/48/646472148.db2.gz WJEHFNAHHKRZNZ-UHFFFAOYSA-N 1 0 249.314 1.613 20 5 BDBDRO C[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000712593135 712435243 /nfs/dbraw/zinc/43/52/43/712435243.db2.gz CFSKFYLXHHRLKJ-NSHDSACASA-N 1 0 221.260 1.711 20 5 BDBDRO CCN1CC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000712530615 712441311 /nfs/dbraw/zinc/44/13/11/712441311.db2.gz PILCFSUKCKKBSY-ZDUSSCGKSA-N 1 0 249.314 1.779 20 5 BDBDRO