smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)Cc2cnoc2)C1 ZINC000984641875 746769558 /nfs/dbraw/zinc/76/95/58/746769558.db2.gz CZCLFIVLXGMCSM-UMSPYCQHSA-N 0 3 348.363 0.543 20 5 ECBDHN CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001106946961 763589386 /nfs/dbraw/zinc/58/93/86/763589386.db2.gz ZEASOPBAHLBXNH-UHFFFAOYSA-N 0 3 325.369 0.908 20 5 ECBDHN O=C(NCC1CN(CCOc2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031660762 766374878 /nfs/dbraw/zinc/37/48/78/766374878.db2.gz RHOOMKMBZJPQIO-TZMCWYRMSA-N 0 3 337.351 0.918 20 5 ECBDHN O=C(NCC1CN(Cc2ccc3c(c2)COC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661716 766378399 /nfs/dbraw/zinc/37/83/99/766378399.db2.gz FKSQJSZCJHBQHV-HZPDHXFCSA-N 0 3 331.372 0.930 20 5 ECBDHN C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1 ZINC000356366624 299381901 /nfs/dbraw/zinc/38/19/01/299381901.db2.gz LIVMYAFTUQFNHI-MNOVXSKESA-N 0 3 348.359 0.529 20 5 ECBDHN CC[C@H]1CN(C(=O)c2[n-]nc(C)c2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000266500214 248332750 /nfs/dbraw/zinc/33/27/50/248332750.db2.gz RXMZCDFKGTWPRG-ONGXEEELSA-N 0 3 325.369 0.544 20 5 ECBDHN CC[C@H]1CN(C(=O)c2[n-]nc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000266500214 248332752 /nfs/dbraw/zinc/33/27/52/248332752.db2.gz RXMZCDFKGTWPRG-ONGXEEELSA-N 0 3 325.369 0.544 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]1)OCCO2 ZINC000262736077 285098558 /nfs/dbraw/zinc/09/85/58/285098558.db2.gz GUPDPZJYKUYVJZ-SECBINFHSA-N 0 3 343.361 0.396 20 5 ECBDHN CCN1CC[C@@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000414006562 208385634 /nfs/dbraw/zinc/38/56/34/208385634.db2.gz QIORJXTUOVZSOH-DGCLKSJQSA-N 0 3 334.376 0.924 20 5 ECBDHN Cc1ccc(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420449248 209368608 /nfs/dbraw/zinc/36/86/08/209368608.db2.gz FYDJWDWBJQWDST-LLVKDONJSA-N 0 3 328.394 0.085 20 5 ECBDHN CN(CCCNC(=O)C1CCC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000429551951 210322643 /nfs/dbraw/zinc/32/26/43/210322643.db2.gz WFFWZOPXEWFBQG-UHFFFAOYSA-N 0 3 336.392 0.995 20 5 ECBDHN C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000272570934 263352765 /nfs/dbraw/zinc/35/27/65/263352765.db2.gz NAUDPCGDMOWHRY-NEPJUHHUSA-N 0 3 334.376 0.924 20 5 ECBDHN CNC(=O)c1ccc(N2CCO[C@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000284556054 264227431 /nfs/dbraw/zinc/22/74/31/264227431.db2.gz MXLPESSMARFMQY-CABCVRRESA-N 0 3 334.376 0.864 20 5 ECBDHN COC(=O)CNC(=O)c1ccc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000286413291 264396094 /nfs/dbraw/zinc/39/60/94/264396094.db2.gz MJKKMCNEPJFEMK-JTQLQIEISA-N 0 3 338.364 0.860 20 5 ECBDHN CN(CCN)C(=O)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000423704846 276941453 /nfs/dbraw/zinc/94/14/53/276941453.db2.gz FURLBCNEUJHNNF-ZDUSSCGKSA-N 0 3 334.376 0.718 20 5 ECBDHN CN(C)CCOc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)ccn1 ZINC000343039576 297813593 /nfs/dbraw/zinc/81/35/93/297813593.db2.gz KJZFHCSGMSPAFW-UHFFFAOYSA-N 0 3 334.336 0.765 20 5 ECBDHN COc1cc(C(=O)NCCOCCN(C)C)cc([N+](=O)[O-])c1OC ZINC000345964441 298202922 /nfs/dbraw/zinc/20/29/22/298202922.db2.gz RIKMGEVTJZWNSM-UHFFFAOYSA-N 0 3 341.364 0.920 20 5 ECBDHN C[C@H](CN(C)C)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000346265979 298245927 /nfs/dbraw/zinc/24/59/27/298245927.db2.gz OJVQKTLZXRIALN-SNVBAGLBSA-N 0 3 336.348 0.387 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-]CCOCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000347177261 298415499 /nfs/dbraw/zinc/41/54/99/298415499.db2.gz MNWCZKFMRQMNAK-UHFFFAOYSA-N 0 3 347.393 0.460 20 5 ECBDHN CN(C)CC[C@@](C)(O)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000352104357 298886698 /nfs/dbraw/zinc/88/66/98/298886698.db2.gz DRNBETJSWLPSRF-OAHLLOKOSA-N 0 3 325.365 0.793 20 5 ECBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CN2CCN1CCC2 ZINC000373072982 301045549 /nfs/dbraw/zinc/04/55/49/301045549.db2.gz ZZYIGEKGBQYMSH-CQSZACIVSA-N 0 3 344.375 0.477 20 5 ECBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(C[C@@H](O)CN3CCOCC3)C2)c1 ZINC000373584357 301069014 /nfs/dbraw/zinc/06/90/14/301069014.db2.gz LAGNBIVJCVEZEU-HIFRSBDPSA-N 0 3 339.396 0.121 20 5 ECBDHN COC(=O)CNC(=O)CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375403243 301172148 /nfs/dbraw/zinc/17/21/48/301172148.db2.gz LLPZJIMHQHJVDT-NSHDSACASA-N 0 3 339.352 0.108 20 5 ECBDHN CN(C)C/C=C/C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077125576 436224341 /nfs/dbraw/zinc/22/43/41/436224341.db2.gz CVMGZMXGAJPEPO-ONEGZZNKSA-N 0 3 346.387 0.997 20 5 ECBDHN C[C@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000493280913 301528186 /nfs/dbraw/zinc/52/81/86/301528186.db2.gz BWFAEOZHUICIBE-LAUAKBEESA-N 0 3 334.376 0.791 20 5 ECBDHN C[C@@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CN1Cc1ccccc1 ZINC000137532855 436658880 /nfs/dbraw/zinc/65/88/80/436658880.db2.gz FNKRCMODMPUADH-OCCSQVGLSA-N 0 3 344.375 0.966 20 5 ECBDHN CN1CCN(c2ccncc2NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000556792763 302448244 /nfs/dbraw/zinc/44/82/44/302448244.db2.gz VLASWCXRJKZZEW-UHFFFAOYSA-N 0 3 331.336 0.717 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000152454395 436731009 /nfs/dbraw/zinc/73/10/09/436731009.db2.gz QVRVGIOQGAPZAI-NSHDSACASA-N 0 3 336.348 0.566 20 5 ECBDHN CC(C)[C@H](N)C(=O)NCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000262173982 436912653 /nfs/dbraw/zinc/91/26/53/436912653.db2.gz QNQCGQPCDCXARJ-AWEZNQCLSA-N 0 3 337.380 0.222 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)cc1C ZINC000161410191 436890085 /nfs/dbraw/zinc/89/00/85/436890085.db2.gz OQQYWBKXCSJZKN-CQSZACIVSA-N 0 3 345.421 0.803 20 5 ECBDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000161447504 436891315 /nfs/dbraw/zinc/89/13/15/436891315.db2.gz RCBMJFWBOIYOFW-ZDUSSCGKSA-N 0 3 331.394 0.327 20 5 ECBDHN Cc1ccc(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000161441372 436892430 /nfs/dbraw/zinc/89/24/30/436892430.db2.gz HUIPEVHFFVOBHA-ZDUSSCGKSA-N 0 3 331.394 0.494 20 5 ECBDHN N[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCOCC1 ZINC000261947407 436898481 /nfs/dbraw/zinc/89/84/81/436898481.db2.gz JVPCCQYAMUDOQW-INIZCTEOSA-N 0 3 348.403 0.997 20 5 ECBDHN CN(C)[C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000170858119 436956598 /nfs/dbraw/zinc/95/65/98/436956598.db2.gz ZNEUFMDCFGTPKN-GFCCVEGCSA-N 0 3 330.348 0.952 20 5 ECBDHN CN1CCN(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1(C)C ZINC000281605964 436984173 /nfs/dbraw/zinc/98/41/73/436984173.db2.gz INLMHAYBAYZFOY-UHFFFAOYSA-N 0 3 336.396 0.527 20 5 ECBDHN COCCN1CC[C@@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000264483890 437036423 /nfs/dbraw/zinc/03/64/23/437036423.db2.gz IIYSPGCAZZPRKM-CYBMUJFWSA-N 0 3 339.396 0.635 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCO)C[C@@H](C)O ZINC000298695533 437047469 /nfs/dbraw/zinc/04/74/69/437047469.db2.gz ZPXHEJBHOWIPGE-LLVKDONJSA-N 0 3 341.364 0.607 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(c3ccncc3)CC2)c1 ZINC000305087426 437161111 /nfs/dbraw/zinc/16/11/11/437161111.db2.gz OJDNTFBQTKBQLI-OAHLLOKOSA-N 0 3 332.364 0.369 20 5 ECBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCCN(C2CCOCC2)CC1 ZINC000301370235 437120363 /nfs/dbraw/zinc/12/03/63/437120363.db2.gz PSALGALEPKCORS-UHFFFAOYSA-N 0 3 349.391 0.780 20 5 ECBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3ccnn3CCO)CC2)n1 ZINC000176223660 437135917 /nfs/dbraw/zinc/13/59/17/437135917.db2.gz ULNSKBVYWSEIRI-UHFFFAOYSA-N 0 3 334.380 0.860 20 5 ECBDHN CCN(C)CCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000266858462 437256481 /nfs/dbraw/zinc/25/64/81/437256481.db2.gz SVZMSKXJSFGZLQ-UHFFFAOYSA-N 0 3 344.393 0.232 20 5 ECBDHN COCCNCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000179380725 437262124 /nfs/dbraw/zinc/26/21/24/437262124.db2.gz CBJUDHQKRJYIFG-UHFFFAOYSA-N 0 3 331.394 0.726 20 5 ECBDHN Cc1nn(CCC(=O)Nc2ccn(CCN(C)C)n2)c(C)c1[N+](=O)[O-] ZINC000338649369 437412842 /nfs/dbraw/zinc/41/28/42/437412842.db2.gz WXQWRFPBGBIUCH-UHFFFAOYSA-N 0 3 349.395 1.195 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(Cn3cncn3)CC2)c1 ZINC000186204824 437464353 /nfs/dbraw/zinc/46/43/53/437464353.db2.gz LRBBAKVORGBYNY-AWEZNQCLSA-N 0 3 335.368 0.156 20 5 ECBDHN C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187720311 437513355 /nfs/dbraw/zinc/51/33/55/437513355.db2.gz UUWJCTIDAWXJNF-ZDUSSCGKSA-N 0 3 336.392 0.922 20 5 ECBDHN Cc1c(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cccc1[N+](=O)[O-] ZINC000360540205 437624784 /nfs/dbraw/zinc/62/47/84/437624784.db2.gz MBBZQZXLUSWIMU-CQSZACIVSA-N 0 3 348.403 0.930 20 5 ECBDHN O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000343482667 437590874 /nfs/dbraw/zinc/59/08/74/437590874.db2.gz WQUXDKYXEUMLDW-UHFFFAOYSA-N 0 3 335.364 0.303 20 5 ECBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000343482667 437590877 /nfs/dbraw/zinc/59/08/77/437590877.db2.gz WQUXDKYXEUMLDW-UHFFFAOYSA-N 0 3 335.364 0.303 20 5 ECBDHN CN1C[C@@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000192917977 437697770 /nfs/dbraw/zinc/69/77/70/437697770.db2.gz IWWMAKXLDPBWBY-OKILXGFUSA-N 0 3 339.417 0.961 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000192916913 437698468 /nfs/dbraw/zinc/69/84/68/437698468.db2.gz ANSYIFGWCVAWGB-PHIMTYICSA-N 0 3 341.389 0.786 20 5 ECBDHN CC(C)[C@H](CO)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000362178297 437721769 /nfs/dbraw/zinc/72/17/69/437721769.db2.gz JXBPMIPQYWWJKD-JTQLQIEISA-N 0 3 325.321 0.869 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1CNCC1(O)CCS(=O)(=O)CC1 ZINC000341262431 437820798 /nfs/dbraw/zinc/82/07/98/437820798.db2.gz HDDNMGWRAJNQAJ-UHFFFAOYSA-N 0 3 328.390 0.933 20 5 ECBDHN CN(C)C1(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000416290448 437904534 /nfs/dbraw/zinc/90/45/34/437904534.db2.gz MAPKDNAPYMEKFN-UHFFFAOYSA-N 0 3 348.359 0.531 20 5 ECBDHN CN1CCC(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000366127772 438023707 /nfs/dbraw/zinc/02/37/07/438023707.db2.gz PNZXHUIGMMMNFG-GFCCVEGCSA-N 0 3 333.392 0.888 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000372054928 438028268 /nfs/dbraw/zinc/02/82/68/438028268.db2.gz IIJSISUNMWYBHG-CQSZACIVSA-N 0 3 347.375 0.368 20 5 ECBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1NCCc2ccccc21 ZINC000417910865 438090355 /nfs/dbraw/zinc/09/03/55/438090355.db2.gz LTAMIPMEUWMGJP-OAHLLOKOSA-N 0 3 344.375 0.978 20 5 ECBDHN O=C1C[C@@]2(CN1)CCCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000342762623 438058856 /nfs/dbraw/zinc/05/88/56/438058856.db2.gz VUBJTKXJPAKXOD-SUMWQHHRSA-N 0 3 349.387 0.937 20 5 ECBDHN O=C(NC[C@@H]1CNCCO1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418773784 438185897 /nfs/dbraw/zinc/18/58/97/438185897.db2.gz URLKNBFTOQGCPU-ZDUSSCGKSA-N 0 3 336.348 0.356 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@]2(CO)CCCc3ccccc32)c1 ZINC000374149547 438190441 /nfs/dbraw/zinc/19/04/41/438190441.db2.gz SYPGZCBOZIVKLX-WBVHZDCISA-N 0 3 346.387 0.966 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358400011 438216654 /nfs/dbraw/zinc/21/66/54/438216654.db2.gz VUGQNNVMULSAAZ-OAHLLOKOSA-N 0 3 336.348 0.025 20 5 ECBDHN C[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1CN ZINC000418874102 438230174 /nfs/dbraw/zinc/23/01/74/438230174.db2.gz VCAMEUTYFZPNBF-DOMZBBRYSA-N 0 3 348.403 0.839 20 5 ECBDHN C[C@@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CCCO1 ZINC000432561479 438203470 /nfs/dbraw/zinc/20/34/70/438203470.db2.gz XVFAKTBJCVXHSA-LLVKDONJSA-N 0 3 337.380 0.803 20 5 ECBDHN CN(CCN1CCOC(C)(C)C1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434708385 438318719 /nfs/dbraw/zinc/31/87/19/438318719.db2.gz ROHFWIFKUDRMRQ-AWEZNQCLSA-N 0 3 341.412 0.195 20 5 ECBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000368486831 438336569 /nfs/dbraw/zinc/33/65/69/438336569.db2.gz DRGLOYQGUSJZEX-MRXNPFEDSA-N 0 3 332.404 0.986 20 5 ECBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCNCC1 ZINC000419131576 438337630 /nfs/dbraw/zinc/33/76/30/438337630.db2.gz ALOSKSPGKHWMIM-UHFFFAOYSA-N 0 3 340.767 0.686 20 5 ECBDHN CCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000388369854 438423845 /nfs/dbraw/zinc/42/38/45/438423845.db2.gz PHEFUAYPWCGWQW-SECBINFHSA-N 0 3 334.170 0.832 20 5 ECBDHN NS(=O)(=O)c1cccc(N[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000352390702 438417286 /nfs/dbraw/zinc/41/72/86/438417286.db2.gz GMZNZXPMVOBWFT-SECBINFHSA-N 0 3 326.378 0.891 20 5 ECBDHN O=C([C@H]1CN2CCN1CCC2)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359645130 438473386 /nfs/dbraw/zinc/47/33/86/438473386.db2.gz ZQAQGUGEHUKABW-OAHLLOKOSA-N 0 3 346.387 0.706 20 5 ECBDHN CC(C)C(=O)NC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438834081 438486715 /nfs/dbraw/zinc/48/67/15/438486715.db2.gz RAAJIBIECIPCRU-CQSZACIVSA-N 0 3 339.396 0.389 20 5 ECBDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369825210 438519664 /nfs/dbraw/zinc/51/96/64/438519664.db2.gz GZQLCMGGWXBAAX-DEQVHRJGSA-N 0 3 337.380 0.271 20 5 ECBDHN C[C@@H]([NH3+])C[C@@H](C)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422977581 438623270 /nfs/dbraw/zinc/62/32/70/438623270.db2.gz FWLPFNOYUAXRCC-GHMZBOCLSA-N 0 3 330.410 0.589 20 5 ECBDHN O=C(CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000447589299 438676883 /nfs/dbraw/zinc/67/68/83/438676883.db2.gz XMTCNCIGTQRJFI-OLZOCXBDSA-N 0 3 337.380 0.723 20 5 ECBDHN CC(C)N1C[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000574982730 438730963 /nfs/dbraw/zinc/73/09/63/438730963.db2.gz JASUDCKNNZXUBH-CHWSQXEVSA-N 0 3 337.376 0.933 20 5 ECBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455638233 438750142 /nfs/dbraw/zinc/75/01/42/438750142.db2.gz KCPRKELPUMDCRI-UHFFFAOYSA-N 0 3 336.396 0.399 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000554864260 438769255 /nfs/dbraw/zinc/76/92/55/438769255.db2.gz WFADOMLMBOCAEH-WDEREUQCSA-N 0 3 325.394 0.970 20 5 ECBDHN CS[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000554864259 438769574 /nfs/dbraw/zinc/76/95/74/438769574.db2.gz WFADOMLMBOCAEH-QWRGUYRKSA-N 0 3 325.394 0.970 20 5 ECBDHN CN1CC[C@@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184089 438828595 /nfs/dbraw/zinc/82/85/95/438828595.db2.gz HAUPDRBTHJIPSD-OLZOCXBDSA-N 0 3 348.407 0.609 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000595612534 438834397 /nfs/dbraw/zinc/83/43/97/438834397.db2.gz RBGZUDJLGDDLIZ-HIFRSBDPSA-N 0 3 347.375 0.948 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](Cn3ccnn3)C2)c1 ZINC000595612532 438834766 /nfs/dbraw/zinc/83/47/66/438834766.db2.gz RBGZUDJLGDDLIZ-DZGCQCFKSA-N 0 3 347.375 0.948 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860518 438844600 /nfs/dbraw/zinc/84/46/00/438844600.db2.gz GRYZIXIVESCJFA-KGLIPLIRSA-N 0 3 335.360 0.641 20 5 ECBDHN COc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864035 438846320 /nfs/dbraw/zinc/84/63/20/438846320.db2.gz XFXAOVGRYUAZIL-CHWSQXEVSA-N 0 3 335.360 0.885 20 5 ECBDHN CN1C[C@H]2[C@@H](CCN2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000590011906 438897693 /nfs/dbraw/zinc/89/76/93/438897693.db2.gz MUZCOKDNWJRZIW-GWCFXTLKSA-N 0 3 348.359 0.898 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590370174 438915231 /nfs/dbraw/zinc/91/52/31/438915231.db2.gz USAXTWNLWHOUKD-LLVKDONJSA-N 0 3 333.348 0.433 20 5 ECBDHN N[C@H]1C[C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000565238829 438935698 /nfs/dbraw/zinc/93/56/98/438935698.db2.gz IHIQQXIABPKGTO-NEPJUHHUSA-N 0 3 347.375 0.167 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000596289444 438951710 /nfs/dbraw/zinc/95/17/10/438951710.db2.gz PVQHKXOENLVONY-KBPBESRZSA-N 0 3 338.364 0.290 20 5 ECBDHN COc1c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000565786018 438979294 /nfs/dbraw/zinc/97/92/94/438979294.db2.gz YQPYMENMCLEKIJ-JTQLQIEISA-N 0 3 338.364 0.400 20 5 ECBDHN Cc1sc(S(=O)(=O)[N-]CCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000471648746 439089564 /nfs/dbraw/zinc/08/95/64/439089564.db2.gz WIIDYPYATHAGIM-UHFFFAOYSA-N 0 3 337.423 0.821 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000591918400 439113032 /nfs/dbraw/zinc/11/30/32/439113032.db2.gz QLFWLLIXIJQPOF-GFCCVEGCSA-N 0 3 349.391 0.856 20 5 ECBDHN CCN(CCO)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487184741 439137861 /nfs/dbraw/zinc/13/78/61/439137861.db2.gz HRYPPHVQCRUCDQ-UHFFFAOYSA-N 0 3 331.319 0.846 20 5 ECBDHN CN(C)C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000488903907 439206588 /nfs/dbraw/zinc/20/65/88/439206588.db2.gz SYEZJDDCARASNX-GFCCVEGCSA-N 0 3 336.327 0.745 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H]2COc3ccccc3O2)c1 ZINC000581645812 439236764 /nfs/dbraw/zinc/23/67/64/439236764.db2.gz ASSAJBBNFKRYEQ-CHWSQXEVSA-N 0 3 334.332 0.582 20 5 ECBDHN COC(=O)[C@@H]1CNCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592493055 439241872 /nfs/dbraw/zinc/24/18/72/439241872.db2.gz VIOKAEUSBGJWMU-ZDUSSCGKSA-N 0 3 336.348 0.031 20 5 ECBDHN COc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000568534262 439258172 /nfs/dbraw/zinc/25/81/72/439258172.db2.gz ZWFVOVWKYBRYMS-RYUDHWBXSA-N 0 3 348.359 0.296 20 5 ECBDHN CC1CCN(C[C@H](O)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000581893056 439262043 /nfs/dbraw/zinc/26/20/43/439262043.db2.gz GBRRLKNPQDCVSW-LLVKDONJSA-N 0 3 337.380 0.395 20 5 ECBDHN CNc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592881599 439296598 /nfs/dbraw/zinc/29/65/98/439296598.db2.gz UOHJDWDJLYMNOI-LLVKDONJSA-N 0 3 349.391 0.829 20 5 ECBDHN CC1(C)CNCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598664210 439297837 /nfs/dbraw/zinc/29/78/37/439297837.db2.gz JSNXHNFZYWNKNQ-UHFFFAOYSA-N 0 3 335.364 0.927 20 5 ECBDHN COCCNCCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665941 439299488 /nfs/dbraw/zinc/29/94/88/439299488.db2.gz UIFURGRPQHNSDC-UHFFFAOYSA-N 0 3 339.352 0.069 20 5 ECBDHN CN(C)CCN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1=O ZINC000593485714 439387018 /nfs/dbraw/zinc/38/70/18/439387018.db2.gz BOKFEDRQGSRPMM-UHFFFAOYSA-N 0 3 327.772 0.853 20 5 ECBDHN CCN1CCC[C@H](C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599229512 439389134 /nfs/dbraw/zinc/38/91/34/439389134.db2.gz QGOSLQZYIMDFGY-SNVBAGLBSA-N 0 3 331.398 0.339 20 5 ECBDHN CC(C)Oc1nc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000570409010 439419695 /nfs/dbraw/zinc/41/96/95/439419695.db2.gz DYPWVBXTWTXUQR-MNOVXSKESA-N 0 3 335.364 0.525 20 5 ECBDHN CN1CCN(C)[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000570273560 439407857 /nfs/dbraw/zinc/40/78/57/439407857.db2.gz PCCMDBWGXQQZFH-CYBMUJFWSA-N 0 3 335.408 0.759 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CO)CN2CCCC2)c1 ZINC000571283948 439490330 /nfs/dbraw/zinc/49/03/30/439490330.db2.gz ISNFVXOPGMZGQF-DZGCQCFKSA-N 0 3 339.392 0.381 20 5 ECBDHN CN(C)C(=O)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000584032106 439540626 /nfs/dbraw/zinc/54/06/26/439540626.db2.gz PKCFKYPVKPFUSK-HNNXBMFYSA-N 0 3 347.375 0.644 20 5 ECBDHN CCN1CCC(NC(=O)CSc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000583823874 439516826 /nfs/dbraw/zinc/51/68/26/439516826.db2.gz KVBWRWCRVYITGX-UHFFFAOYSA-N 0 3 340.409 0.660 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600105749 439613504 /nfs/dbraw/zinc/61/35/04/439613504.db2.gz VJABCIZYFKKVRP-UHFFFAOYSA-N 0 3 337.380 0.817 20 5 ECBDHN O=C(CCN[C@@H](CO)CN1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000573444952 439646389 /nfs/dbraw/zinc/64/63/89/439646389.db2.gz ITMQLDVDWDIMCK-CYBMUJFWSA-N 0 3 336.392 0.970 20 5 ECBDHN Nc1cc(N2CCN([C@H]3CCC[C@@H]3O)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587862282 439668995 /nfs/dbraw/zinc/66/89/95/439668995.db2.gz VGSWCTPXLQOQIS-GJZGRUSLSA-N 0 3 336.392 0.705 20 5 ECBDHN COC[C@](C)(CCO)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273282905 320560145 /nfs/dbraw/zinc/56/01/45/320560145.db2.gz DMJGBRPAMCLXCU-DOMZBBRYSA-N 0 3 328.365 0.712 20 5 ECBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1COC[C@@H]1O ZINC000352799841 321372919 /nfs/dbraw/zinc/37/29/19/321372919.db2.gz MYPRFESLRQIYEH-STQMWFEESA-N 0 3 337.332 0.584 20 5 ECBDHN COC(=O)COc1ccc(CN[C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000353782419 321415358 /nfs/dbraw/zinc/41/53/58/321415358.db2.gz UWIUSTBMQFJRGN-NSHDSACASA-N 0 3 337.332 0.515 20 5 ECBDHN CN(C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)ccc1=O ZINC000535227494 322077989 /nfs/dbraw/zinc/07/79/89/322077989.db2.gz XHGRBZKHAAZYNF-UHFFFAOYSA-N 0 3 333.348 0.909 20 5 ECBDHN C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)NCCN(C)C ZINC000560567194 322247256 /nfs/dbraw/zinc/24/72/56/322247256.db2.gz ZZYLBBZASBHYOK-JTQLQIEISA-N 0 3 347.375 0.872 20 5 ECBDHN O=C1C[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1c1ccccc1 ZINC000562987464 322291417 /nfs/dbraw/zinc/29/14/17/322291417.db2.gz RKCSMWZCTXSBQU-DOMZBBRYSA-N 0 3 345.359 0.547 20 5 ECBDHN C[C@@H](CS(C)(=O)=O)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000562993939 322291876 /nfs/dbraw/zinc/29/18/76/322291876.db2.gz RWLJHGACKKOSNS-JTQLQIEISA-N 0 3 329.378 0.946 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(OC(F)F)cn2)c1 ZINC000563002210 322292480 /nfs/dbraw/zinc/29/24/80/322292480.db2.gz CVJYQXSWFKRGPJ-LLVKDONJSA-N 0 3 343.290 0.938 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@@H]1O ZINC000563393218 322314232 /nfs/dbraw/zinc/31/42/32/322314232.db2.gz CFCYUDXTTYHENW-GJZGRUSLSA-N 0 3 345.359 0.527 20 5 ECBDHN C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)NCCN(C)C ZINC000571225359 322714098 /nfs/dbraw/zinc/71/40/98/322714098.db2.gz YWCVUEXDXRAWGE-SNVBAGLBSA-N 0 3 347.375 0.872 20 5 ECBDHN CN(C)CCNC(=S)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000782385402 578724605 /nfs/dbraw/zinc/72/46/05/578724605.db2.gz OLWCFEHNAIZMHD-UHFFFAOYSA-N 0 3 326.426 0.864 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CCS(=O)(=O)C1 ZINC000783910595 578747119 /nfs/dbraw/zinc/74/71/19/578747119.db2.gz HXJRJOSCFYKHHK-WDEREUQCSA-N 0 3 330.362 0.111 20 5 ECBDHN Cc1nc(NC[C@H]2CCN2C)nc(NC[C@@H]2CCN2C)c1[N+](=O)[O-] ZINC000895769779 586203849 /nfs/dbraw/zinc/20/38/49/586203849.db2.gz IMUFBEPQDNMHOK-NWDGAFQWSA-N 0 3 335.412 0.925 20 5 ECBDHN Cc1nc(NC[C@H]2CCN2C)nc(NC[C@H]2CCN2C)c1[N+](=O)[O-] ZINC000895769781 586203916 /nfs/dbraw/zinc/20/39/16/586203916.db2.gz IMUFBEPQDNMHOK-VXGBXAGGSA-N 0 3 335.412 0.925 20 5 ECBDHN CNS(=O)(=O)c1ccc(N2CC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893939984 586367546 /nfs/dbraw/zinc/36/75/46/586367546.db2.gz LMTZSAKAQCEZJL-IINYFYTJSA-N 0 3 340.405 0.643 20 5 ECBDHN Cn1cc([C@@H](O)CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000843092302 589050206 /nfs/dbraw/zinc/05/02/06/589050206.db2.gz NPATVMGCMSEJBL-ZFWWWQNUSA-N 0 3 336.348 0.391 20 5 ECBDHN O=C(N1CCNCCNCC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000900475948 586636843 /nfs/dbraw/zinc/63/68/43/586636843.db2.gz USOSRVMMQGAQGI-UHFFFAOYSA-N 0 3 344.318 0.588 20 5 ECBDHN CN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](CN)C1 ZINC000843357937 589063717 /nfs/dbraw/zinc/06/37/17/589063717.db2.gz UCXOLMGDYKQGEM-SNVBAGLBSA-N 0 3 326.328 0.214 20 5 ECBDHN COC(=O)c1cn(CCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000819296939 587475722 /nfs/dbraw/zinc/47/57/22/587475722.db2.gz GPDVYWBWNLWHCG-CYBMUJFWSA-N 0 3 335.320 0.296 20 5 ECBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822984529 587694275 /nfs/dbraw/zinc/69/42/75/587694275.db2.gz IJFCICXCKIBKIH-ZDUSSCGKSA-N 0 3 342.440 0.881 20 5 ECBDHN CNc1nccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000847406512 589245962 /nfs/dbraw/zinc/24/59/62/589245962.db2.gz CQSIKZBCGPCLMZ-WDEREUQCSA-N 0 3 335.364 0.625 20 5 ECBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854641695 589597708 /nfs/dbraw/zinc/59/77/08/589597708.db2.gz FBGGNCRJZMBXTA-BZUAXINKSA-N 0 3 349.387 0.950 20 5 ECBDHN CN1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000857765342 589704159 /nfs/dbraw/zinc/70/41/59/589704159.db2.gz FJSHVKDONNVPEG-LLVKDONJSA-N 0 3 344.318 0.668 20 5 ECBDHN CN1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000857766452 589704318 /nfs/dbraw/zinc/70/43/18/589704318.db2.gz QKRSMZQHXAMSJH-LLVKDONJSA-N 0 3 344.318 0.668 20 5 ECBDHN O=C1COC[C@@]2(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])COCCN12 ZINC000866552497 589750319 /nfs/dbraw/zinc/75/03/19/589750319.db2.gz BGAHVIFUJKUMNF-WMLDXEAASA-N 0 3 347.371 0.800 20 5 ECBDHN C[C@@H](NC[C@@]12COCCN1C(=O)COC2)c1cccc([N+](=O)[O-])c1 ZINC000866556243 589750552 /nfs/dbraw/zinc/75/05/52/589750552.db2.gz QXUNTXXNAXELDY-WBMJQRKESA-N 0 3 335.360 0.873 20 5 ECBDHN C[C@H]1[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCN1C ZINC000925334155 611470765 /nfs/dbraw/zinc/47/07/65/611470765.db2.gz AONHDPALJHRBLU-QWHCGFSZSA-N 0 3 348.407 0.914 20 5 ECBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H](CO)CN1CCCC1 ZINC000908204232 609647506 /nfs/dbraw/zinc/64/75/06/609647506.db2.gz PLDOWOVLLQSJRG-LBPRGKRZSA-N 0 3 325.340 0.849 20 5 ECBDHN Cc1nccn1CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943699331 610943258 /nfs/dbraw/zinc/94/32/58/610943258.db2.gz DFLFQFAWSXSTHT-AAVRWANBSA-N 0 3 349.391 0.400 20 5 ECBDHN O=C1NCCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C12CNC2 ZINC001164410490 718878582 /nfs/dbraw/zinc/87/85/82/718878582.db2.gz BWUHETBGVOOAGP-UHFFFAOYSA-N 0 3 347.709 0.466 20 5 ECBDHN CNC(=O)CN1CCCC12CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164690227 719736104 /nfs/dbraw/zinc/73/61/04/719736104.db2.gz VXONYFFIFPUYSP-UHFFFAOYSA-N 0 3 348.407 0.753 20 5 ECBDHN Cc1nc(C(=O)N[C@H]2C[C@H](CNCc3c([N+](=O)[O-])ncn3C)C2)co1 ZINC000983517915 743342909 /nfs/dbraw/zinc/34/29/09/743342909.db2.gz DSAACVSBAYPSHG-XYPYZODXSA-N 0 3 348.363 0.923 20 5 ECBDHN COCC(=O)N1CCC(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997451447 743627656 /nfs/dbraw/zinc/62/76/56/743627656.db2.gz CEHQSEOYNPNVFL-UHFFFAOYSA-N 0 3 325.369 0.303 20 5 ECBDHN Cc1nn(C)cc1CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000675805 745689885 /nfs/dbraw/zinc/68/98/85/745689885.db2.gz VNBUNJLUOINUJX-HUUCEWRRSA-N 0 3 333.392 0.642 20 5 ECBDHN Cc1cc(C(=O)N(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n[nH]1 ZINC000988529219 752256552 /nfs/dbraw/zinc/25/65/52/752256552.db2.gz LHNJWHZKYILVJJ-TZMCWYRMSA-N 0 3 349.391 0.694 20 5 ECBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1CC(=O)NC(=O)C1 ZINC001168310435 754300822 /nfs/dbraw/zinc/30/08/22/754300822.db2.gz MIGWXNAXWUWJPG-UHFFFAOYSA-N 0 3 348.359 0.244 20 5 ECBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(NCc2nc(C3CC3)no2)CC1 ZINC000996430078 757658581 /nfs/dbraw/zinc/65/85/81/757658581.db2.gz ZLVYOBHOUZZWOR-VXGBXAGGSA-N 0 3 335.364 0.693 20 5 ECBDHN CC(C)(C)n1nnc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001127766340 758454389 /nfs/dbraw/zinc/45/43/89/758454389.db2.gz URQFDYMSNFYPGS-UHFFFAOYSA-N 0 3 347.379 0.856 20 5 ECBDHN CCn1ccc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)n1 ZINC001050516675 760411770 /nfs/dbraw/zinc/41/17/70/760411770.db2.gz GLLGUAAJDVERHT-HUUCEWRRSA-N 0 3 347.419 0.993 20 5 ECBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189841341 237307111 /nfs/dbraw/zinc/30/71/11/237307111.db2.gz DJNLUQGFMQEEHZ-LBPRGKRZSA-N 0 3 335.408 0.933 20 5 ECBDHN COCCNCCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000261908770 201200368 /nfs/dbraw/zinc/20/03/68/201200368.db2.gz PXIQUWFRWLAVJN-UHFFFAOYSA-N 0 3 327.337 0.578 20 5 ECBDHN C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000356346656 299380488 /nfs/dbraw/zinc/38/04/88/299380488.db2.gz NFGSWCSLVLUMOO-QWRGUYRKSA-N 0 3 330.348 0.998 20 5 ECBDHN CN(C)CCN1C[C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000073032582 203253903 /nfs/dbraw/zinc/25/39/03/203253903.db2.gz FTVQLGMGJQPVBH-CQSZACIVSA-N 0 3 348.403 0.664 20 5 ECBDHN CC(C)(C)CNC(=O)C(C)(C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000155503255 206012074 /nfs/dbraw/zinc/01/20/74/206012074.db2.gz ZIVJLMVHRSACMC-GFCCVEGCSA-N 0 3 341.412 0.683 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446900724 211162352 /nfs/dbraw/zinc/16/23/52/211162352.db2.gz QUEHLRIVUIYCNV-OAHLLOKOSA-N 0 3 348.363 0.337 20 5 ECBDHN CCc1n[nH]c(C(=O)NC[C@H](C)N2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000444270542 211064338 /nfs/dbraw/zinc/06/43/38/211064338.db2.gz RQQKGLFZPDYSJV-NSHDSACASA-N 0 3 338.412 0.636 20 5 ECBDHN CC(C)OCCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000176694156 207251088 /nfs/dbraw/zinc/25/10/88/207251088.db2.gz FINQHECTEWXOGZ-UHFFFAOYSA-N 0 3 339.396 0.797 20 5 ECBDHN NC[C@H](NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000419343832 209063894 /nfs/dbraw/zinc/06/38/94/209063894.db2.gz DNVTUGMNBOICSL-HNNXBMFYSA-N 0 3 348.403 0.887 20 5 ECBDHN COCCN(CCOC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000298698960 296845175 /nfs/dbraw/zinc/84/51/75/296845175.db2.gz UZXKLDKMNPFXSP-CYBMUJFWSA-N 0 3 328.365 0.929 20 5 ECBDHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000262008160 165274021 /nfs/dbraw/zinc/27/40/21/165274021.db2.gz FFTBAGRXDKAIMB-HNNXBMFYSA-N 0 3 334.376 0.579 20 5 ECBDHN Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000269947333 263214420 /nfs/dbraw/zinc/21/44/20/263214420.db2.gz VCLZKIXCSZQHHA-OAHLLOKOSA-N 0 3 338.364 0.271 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000270084097 263221609 /nfs/dbraw/zinc/22/16/09/263221609.db2.gz JESQHWUDVFKLCK-UHFFFAOYSA-N 0 3 348.363 0.462 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000272775607 263371659 /nfs/dbraw/zinc/37/16/59/263371659.db2.gz CYIZEWVLWQLKHW-UHFFFAOYSA-N 0 3 334.376 0.843 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1COC[C@H]1O ZINC000285524452 264320143 /nfs/dbraw/zinc/32/01/43/264320143.db2.gz KMNBAKNUZUYWCI-CHWSQXEVSA-N 0 3 339.348 0.624 20 5 ECBDHN CN1CC[C@@]2(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000291628541 437612190 /nfs/dbraw/zinc/61/21/90/437612190.db2.gz BHOBOEHCFYCOPS-CQSZACIVSA-N 0 3 340.405 0.774 20 5 ECBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000332620552 297059552 /nfs/dbraw/zinc/05/95/52/297059552.db2.gz CAIQANZNJLFIOU-CYBMUJFWSA-N 0 3 334.376 0.843 20 5 ECBDHN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN1C1CCN(C)CC1 ZINC000374597449 301115914 /nfs/dbraw/zinc/11/59/14/301115914.db2.gz UVOCJADSJDLLQB-CYBMUJFWSA-N 0 3 336.440 0.929 20 5 ECBDHN O=C(CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000375402266 301172051 /nfs/dbraw/zinc/17/20/51/301172051.db2.gz JEEPTBLTXSJSLQ-ZDUSSCGKSA-N 0 3 337.380 0.677 20 5 ECBDHN C[C@H](O)COC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375636467 301193494 /nfs/dbraw/zinc/19/34/94/301193494.db2.gz UTVINGJQLQQZCL-NSHDSACASA-N 0 3 326.353 0.742 20 5 ECBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H](O)CN1CCOCC1 ZINC000083245769 436369997 /nfs/dbraw/zinc/36/99/97/436369997.db2.gz IYLMRXVACJSMBC-HNNXBMFYSA-N 0 3 339.392 0.599 20 5 ECBDHN CC(C)C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000549196610 302337334 /nfs/dbraw/zinc/33/73/34/302337334.db2.gz HOMJWPXUCSNLNY-NSHDSACASA-N 0 3 340.384 0.140 20 5 ECBDHN CC(C)C(=O)NCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000550085566 302343615 /nfs/dbraw/zinc/34/36/15/302343615.db2.gz NAWCEXWMRNKNLQ-CYBMUJFWSA-N 0 3 325.365 0.696 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1=CCN(C)CC1 ZINC000271881546 436696388 /nfs/dbraw/zinc/69/63/88/436696388.db2.gz LPPCTGQGTSYIMZ-UHFFFAOYSA-N 0 3 348.359 0.920 20 5 ECBDHN CCCc1n[nH]c(C(=O)NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000119272229 436665750 /nfs/dbraw/zinc/66/57/50/436665750.db2.gz OWGDXHFNECPINW-UHFFFAOYSA-N 0 3 339.396 0.847 20 5 ECBDHN COCCNCCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000237348023 436730727 /nfs/dbraw/zinc/73/07/27/436730727.db2.gz YEMRJZVKFNLNBZ-UHFFFAOYSA-N 0 3 348.363 0.450 20 5 ECBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2c1cnn2C ZINC000246282725 436776933 /nfs/dbraw/zinc/77/69/33/436776933.db2.gz NTLHIWBYVTUBJW-TZMCWYRMSA-N 0 3 334.380 0.895 20 5 ECBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCC1CCN(CCO)CC1 ZINC000160531549 436873860 /nfs/dbraw/zinc/87/38/60/436873860.db2.gz ZJKQLHMCBVAKSO-UHFFFAOYSA-N 0 3 325.369 0.002 20 5 ECBDHN Cc1cc(OCC(=O)NC[C@@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000280836929 436925014 /nfs/dbraw/zinc/92/50/14/436925014.db2.gz PWZKBPQVTCDVLR-OAHLLOKOSA-N 0 3 325.365 0.711 20 5 ECBDHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000298341167 437036304 /nfs/dbraw/zinc/03/63/04/437036304.db2.gz DVXYRSJSPFFBIL-UHFFFAOYSA-N 0 3 338.364 0.272 20 5 ECBDHN NC(=O)CC[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173625053 437058333 /nfs/dbraw/zinc/05/83/33/437058333.db2.gz ICZSUBJBDSQVIO-DGCLKSJQSA-N 0 3 325.369 0.130 20 5 ECBDHN COC(=O)CNC(=O)c1ccc(NC[C@@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000298442589 437037500 /nfs/dbraw/zinc/03/75/00/437037500.db2.gz DDHUGRJFGZGHSZ-SNVBAGLBSA-N 0 3 338.364 0.860 20 5 ECBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299515675 437085596 /nfs/dbraw/zinc/08/55/96/437085596.db2.gz NVBVDPBBYOXBIM-OLZOCXBDSA-N 0 3 336.392 0.993 20 5 ECBDHN COC(=O)CCN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCO1 ZINC000174864303 437089399 /nfs/dbraw/zinc/08/93/99/437089399.db2.gz VQYQERBMAPUACZ-CYBMUJFWSA-N 0 3 326.353 0.835 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000316961298 437190782 /nfs/dbraw/zinc/19/07/82/437190782.db2.gz HPAURHXIWZUMSS-GFCCVEGCSA-N 0 3 328.394 0.167 20 5 ECBDHN CCN1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178165890 437208302 /nfs/dbraw/zinc/20/83/02/437208302.db2.gz UHHKIHIHTDFNII-UHFFFAOYSA-N 0 3 335.408 0.934 20 5 ECBDHN CC(C)(C)OC(=O)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178531213 437218412 /nfs/dbraw/zinc/21/84/12/437218412.db2.gz YKWNAETVHSSBEJ-YPMHNXCESA-N 0 3 340.380 0.816 20 5 ECBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](CO)CN1CCCCC1 ZINC000288134808 437284221 /nfs/dbraw/zinc/28/42/21/437284221.db2.gz BDJHWVRWZNROCC-GFCCVEGCSA-N 0 3 325.369 0.144 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CO)CN1CCCCC1 ZINC000288141365 437284634 /nfs/dbraw/zinc/28/46/34/437284634.db2.gz BMLTZYUUJLFLPY-ZDUSSCGKSA-N 0 3 339.396 0.453 20 5 ECBDHN NS(=O)(=O)c1cccc(N2CCCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000183850016 437392692 /nfs/dbraw/zinc/39/26/92/437392692.db2.gz IHUMVLDQFJYCFB-UHFFFAOYSA-N 0 3 340.405 0.917 20 5 ECBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000330940443 437654137 /nfs/dbraw/zinc/65/41/37/437654137.db2.gz CLUGQEVQZACQGV-VXGBXAGGSA-N 0 3 338.412 0.990 20 5 ECBDHN CN1CC[C@@]2(CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C2)C1 ZINC000292329139 437681553 /nfs/dbraw/zinc/68/15/53/437681553.db2.gz PHEZCBGWSOWQBW-CQSZACIVSA-N 0 3 340.405 0.774 20 5 ECBDHN COc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000192821582 437692478 /nfs/dbraw/zinc/69/24/78/437692478.db2.gz LNQUYRJYNYNDTG-UHFFFAOYSA-N 0 3 336.392 0.923 20 5 ECBDHN CN(C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)ccc1=O ZINC000356750242 437823541 /nfs/dbraw/zinc/82/35/41/437823541.db2.gz ZZFZLYMOGFDIKV-UHFFFAOYSA-N 0 3 334.336 0.304 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000415444817 437804749 /nfs/dbraw/zinc/80/47/49/437804749.db2.gz DSJGKSGAGRSMTC-LBPRGKRZSA-N 0 3 336.348 0.786 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCN([C@@H]2CCSC2)CC1 ZINC000371286428 437912158 /nfs/dbraw/zinc/91/21/58/437912158.db2.gz CXQIJXPRUQSCKF-CQSZACIVSA-N 0 3 338.433 0.880 20 5 ECBDHN CN(CCCN1CCN(C)CC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357232787 437939588 /nfs/dbraw/zinc/93/95/88/437939588.db2.gz IRMPQDAIGYXJOI-UHFFFAOYSA-N 0 3 336.396 0.162 20 5 ECBDHN CNC(=O)c1ccc(N(C)C2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000357613450 438023480 /nfs/dbraw/zinc/02/34/80/438023480.db2.gz MYCYSKBYGNHXEU-UHFFFAOYSA-N 0 3 336.392 0.847 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000358038596 438126896 /nfs/dbraw/zinc/12/68/96/438126896.db2.gz BGIWJINYOQDPMM-INIZCTEOSA-N 0 3 334.376 0.966 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000358053821 438135221 /nfs/dbraw/zinc/13/52/21/438135221.db2.gz JBNOMDIMTFNFBZ-QGZVFWFLSA-N 0 3 348.403 0.991 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000358062282 438136591 /nfs/dbraw/zinc/13/65/91/438136591.db2.gz HGNSVZQYOVOBMW-MRXNPFEDSA-N 0 3 330.344 0.939 20 5 ECBDHN NC[C@@H]1CCCCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418868021 438227163 /nfs/dbraw/zinc/22/71/63/438227163.db2.gz MVRHWNSTNSXJQL-AWEZNQCLSA-N 0 3 334.376 0.593 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358672284 438275410 /nfs/dbraw/zinc/27/54/10/438275410.db2.gz VJLHXRLMIXGOKC-OAHLLOKOSA-N 0 3 338.364 0.469 20 5 ECBDHN O=C(CCN1CCN2CCOC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368328353 438316307 /nfs/dbraw/zinc/31/63/07/438316307.db2.gz PBNCXZRVXKCCNG-HNNXBMFYSA-N 0 3 334.376 0.940 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CO)Cc2cccnc2)c1 ZINC000574813263 438721410 /nfs/dbraw/zinc/72/14/10/438721410.db2.gz WIJHMKLBRNQLBS-GOEBONIOSA-N 0 3 347.371 0.923 20 5 ECBDHN CCS(=O)(=O)C[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575174861 438741054 /nfs/dbraw/zinc/74/10/54/438741054.db2.gz WYMVUIBXCWOPJN-RYUDHWBXSA-N 0 3 346.405 0.747 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])n1 ZINC000414460135 438707213 /nfs/dbraw/zinc/70/72/13/438707213.db2.gz CFHPAQLWRNLANB-UWVGGRQHSA-N 0 3 331.398 0.572 20 5 ECBDHN Nc1cc(N2CCN(C3CCOCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587990708 438811175 /nfs/dbraw/zinc/81/11/75/438811175.db2.gz ZEYALKBIMBESNG-UHFFFAOYSA-N 0 3 336.392 0.970 20 5 ECBDHN CN(CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000595991351 438911108 /nfs/dbraw/zinc/91/11/08/438911108.db2.gz SJZIAGBEQOBDOD-UHFFFAOYSA-N 0 3 346.347 0.302 20 5 ECBDHN CCn1cc(S(=O)(=O)N(C)[C@H](CN)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000596052551 438919317 /nfs/dbraw/zinc/91/93/17/438919317.db2.gz USMOOKCQEMCEME-SSDOTTSWSA-N 0 3 345.303 0.321 20 5 ECBDHN NC(=O)c1cc(N2CCN(C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596152306 438933278 /nfs/dbraw/zinc/93/32/78/438933278.db2.gz OVQJTGUWBACYGR-LBPRGKRZSA-N 0 3 334.376 0.852 20 5 ECBDHN Nc1ccc(N2CCN([C@H]3CCNC(=O)CC3)CC2)nc1[N+](=O)[O-] ZINC000596260421 438946254 /nfs/dbraw/zinc/94/62/54/438946254.db2.gz GXSMUIHSNBAKBH-LLVKDONJSA-N 0 3 334.380 0.363 20 5 ECBDHN O=C(NCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000578880517 438963534 /nfs/dbraw/zinc/96/35/34/438963534.db2.gz HFNVVKCTHLZVPQ-GFCCVEGCSA-N 0 3 349.343 0.947 20 5 ECBDHN CN1CCN(C)[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000579104042 438980829 /nfs/dbraw/zinc/98/08/29/438980829.db2.gz ZZMYSQDNTGLBLZ-ZIAGYGMSSA-N 0 3 338.408 0.170 20 5 ECBDHN CN[C@@H](C)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000566474464 439061392 /nfs/dbraw/zinc/06/13/92/439061392.db2.gz QIUZMCKOTFGPFB-VIFPVBQESA-N 0 3 344.393 0.134 20 5 ECBDHN CN1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](CN)C1 ZINC000566301297 439038872 /nfs/dbraw/zinc/03/88/72/439038872.db2.gz WRVCGIPBLYHRAL-SECBINFHSA-N 0 3 348.812 0.512 20 5 ECBDHN O=C(NCCNC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccn[nH]1 ZINC000591758748 439083162 /nfs/dbraw/zinc/08/31/62/439083162.db2.gz DKGCEATYMSXVIU-NSHDSACASA-N 0 3 349.347 0.077 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486926648 439122692 /nfs/dbraw/zinc/12/26/92/439122692.db2.gz JBDKLIYCHOSYKT-AWEZNQCLSA-N 0 3 331.319 0.844 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486926650 439123052 /nfs/dbraw/zinc/12/30/52/439123052.db2.gz JBDKLIYCHOSYKT-CQSZACIVSA-N 0 3 331.319 0.844 20 5 ECBDHN CNc1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000521998269 439136416 /nfs/dbraw/zinc/13/64/16/439136416.db2.gz IYMGWNFXFIFPFE-UHFFFAOYSA-N 0 3 346.351 0.417 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000602816304 439139428 /nfs/dbraw/zinc/13/94/28/439139428.db2.gz UXXSLHFTEYOWKN-LBPRGKRZSA-N 0 3 325.413 0.877 20 5 ECBDHN CCn1cc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)c([N+](=O)[O-])n1 ZINC000490522732 439271315 /nfs/dbraw/zinc/27/13/15/439271315.db2.gz BZWGVAGZIJEABK-ZDUSSCGKSA-N 0 3 343.409 0.528 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cnn(CCN(C)C)c1 ZINC000604533314 439318132 /nfs/dbraw/zinc/31/81/32/439318132.db2.gz ULXXYPIFHOXSKB-UHFFFAOYSA-N 0 3 335.368 0.887 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(Cn3cnnc3)CC2)c1 ZINC000593076268 439337420 /nfs/dbraw/zinc/33/74/20/439337420.db2.gz KTJQWPKTDBFBEK-AWEZNQCLSA-N 0 3 335.368 0.156 20 5 ECBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598666202 439300345 /nfs/dbraw/zinc/30/03/45/439300345.db2.gz VSVWQWACHPIJNK-WDEREUQCSA-N 0 3 335.364 0.925 20 5 ECBDHN COC(=O)COc1ccc(CN[C@@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000599011546 439344653 /nfs/dbraw/zinc/34/46/53/439344653.db2.gz KVMIYDCHCSCDME-DGCLKSJQSA-N 0 3 340.332 0.386 20 5 ECBDHN CC[C@@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000582961480 439401809 /nfs/dbraw/zinc/40/18/09/439401809.db2.gz GBPUPQYSPVGTLD-SNVBAGLBSA-N 0 3 344.393 0.264 20 5 ECBDHN NC[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000570333015 439410599 /nfs/dbraw/zinc/41/05/99/439410599.db2.gz HRKLGZJSIQIHES-LBPRGKRZSA-N 0 3 329.378 0.028 20 5 ECBDHN CNc1ccc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593784112 439465729 /nfs/dbraw/zinc/46/57/29/439465729.db2.gz IYNALVFPPMCALW-UHFFFAOYSA-N 0 3 349.391 0.483 20 5 ECBDHN CN1CC[C@@H]2CN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)C[C@@H]21 ZINC000571256185 439486442 /nfs/dbraw/zinc/48/64/42/439486442.db2.gz OEKCTCHMJMFGPU-SKDRFNHKSA-N 0 3 326.378 0.383 20 5 ECBDHN CN1CCC2(CC1)CN(C(=O)c1ccnc(N)c1[N+](=O)[O-])CCO2 ZINC000594371817 439549342 /nfs/dbraw/zinc/54/93/42/439549342.db2.gz NGMRSAQMFSQXPV-UHFFFAOYSA-N 0 3 335.364 0.509 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594056664 439512597 /nfs/dbraw/zinc/51/25/97/439512597.db2.gz TVMAEZFSCJVDEB-NWDGAFQWSA-N 0 3 336.348 0.886 20 5 ECBDHN CN(C[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000584832503 439619751 /nfs/dbraw/zinc/61/97/51/439619751.db2.gz BVNWEDOYDKJKMS-JTQLQIEISA-N 0 3 328.394 0.773 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)C[C@H](O)C1 ZINC000610614653 439630897 /nfs/dbraw/zinc/63/08/97/439630897.db2.gz IYGCKUNRJKZPNQ-TXEJJXNPSA-N 0 3 339.348 0.360 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(N2CCNCC2)n[nH]1 ZINC000573442366 439645946 /nfs/dbraw/zinc/64/59/46/439645946.db2.gz XUFHIQYVEZYVCR-UHFFFAOYSA-N 0 3 347.335 0.140 20 5 ECBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000344732862 321162008 /nfs/dbraw/zinc/16/20/08/321162008.db2.gz SIRUYWVGNJMQPO-ZDUSSCGKSA-N 0 3 337.424 0.937 20 5 ECBDHN CC(C)(C(=O)NCCCN1CCC(O)CC1)n1cc([N+](=O)[O-])cn1 ZINC000345545302 321192357 /nfs/dbraw/zinc/19/23/57/321192357.db2.gz PIAJQLPEQNZLQO-UHFFFAOYSA-N 0 3 339.396 0.489 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(OC(F)F)cn2)c1 ZINC000563002211 322292390 /nfs/dbraw/zinc/29/23/90/322292390.db2.gz CVJYQXSWFKRGPJ-NSHDSACASA-N 0 3 343.290 0.938 20 5 ECBDHN O=c1oc2ccccc2n1CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564845639 322398922 /nfs/dbraw/zinc/39/89/22/322398922.db2.gz VJDVNPJMPJYJLL-GFCCVEGCSA-N 0 3 347.331 0.350 20 5 ECBDHN CCC(=O)N1CC[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000564853871 322399975 /nfs/dbraw/zinc/39/99/75/322399975.db2.gz IKQDVLNCEQLFSJ-OCCSQVGLSA-N 0 3 337.376 0.935 20 5 ECBDHN CN1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000567987133 322608551 /nfs/dbraw/zinc/60/85/51/322608551.db2.gz RJBZEOXONFDCPY-AWEZNQCLSA-N 0 3 342.421 0.042 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](CO)Cc1ccncc1 ZINC000573564994 322763905 /nfs/dbraw/zinc/76/39/05/322763905.db2.gz PMWLRHTVVPGYTF-CABCVRRESA-N 0 3 347.371 0.923 20 5 ECBDHN N[C@H]1C[C@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000575936113 322798715 /nfs/dbraw/zinc/79/87/15/322798715.db2.gz LUWJTXMHSFPVRN-ONGXEEELSA-N 0 3 338.751 0.632 20 5 ECBDHN COc1cccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000578336507 322861378 /nfs/dbraw/zinc/86/13/78/322861378.db2.gz IKEIVNSNEKHGLJ-JTQLQIEISA-N 0 3 338.364 0.400 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCSC3(CCOCC3)C2)c1 ZINC000186844098 545898472 /nfs/dbraw/zinc/89/84/72/545898472.db2.gz DKXOUDWITCBTHN-CYBMUJFWSA-N 0 3 342.421 0.750 20 5 ECBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000619254673 546311741 /nfs/dbraw/zinc/31/17/41/546311741.db2.gz PIWAHJJEJBKNJA-HNNXBMFYSA-N 0 3 340.355 0.845 20 5 ECBDHN COCCN(C)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000726983391 578152122 /nfs/dbraw/zinc/15/21/22/578152122.db2.gz UKDFTFOKKWLMAW-UHFFFAOYSA-N 0 3 335.364 0.639 20 5 ECBDHN COCC[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736990558 578470685 /nfs/dbraw/zinc/47/06/85/578470685.db2.gz PYVZDOOAFWHLTH-UHFFFAOYSA-N 0 3 336.356 0.550 20 5 ECBDHN COCC[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736990558 578470686 /nfs/dbraw/zinc/47/06/86/578470686.db2.gz PYVZDOOAFWHLTH-UHFFFAOYSA-N 0 3 336.356 0.550 20 5 ECBDHN COCC[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736990558 578470687 /nfs/dbraw/zinc/47/06/87/578470687.db2.gz PYVZDOOAFWHLTH-UHFFFAOYSA-N 0 3 336.356 0.550 20 5 ECBDHN COCC[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736990558 578470688 /nfs/dbraw/zinc/47/06/88/578470688.db2.gz PYVZDOOAFWHLTH-UHFFFAOYSA-N 0 3 336.356 0.550 20 5 ECBDHN CNC(=O)C1(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000784181014 578749422 /nfs/dbraw/zinc/74/94/22/578749422.db2.gz KFNBPTBBOBRATC-GFCCVEGCSA-N 0 3 337.376 0.983 20 5 ECBDHN CCNS(=O)(=O)CCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774240989 579243851 /nfs/dbraw/zinc/24/38/51/579243851.db2.gz TYHSJPNKRUPOPT-VXGBXAGGSA-N 0 3 345.425 0.804 20 5 ECBDHN CCNS(=O)(=O)CCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774240987 579243857 /nfs/dbraw/zinc/24/38/57/579243857.db2.gz TYHSJPNKRUPOPT-RYUDHWBXSA-N 0 3 345.425 0.804 20 5 ECBDHN O=C1NC(=O)C2(CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)N1 ZINC000760890087 579516902 /nfs/dbraw/zinc/51/69/02/579516902.db2.gz RIYNAZWKBMKAPG-GFCCVEGCSA-N 0 3 334.332 0.302 20 5 ECBDHN CC(COC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)[N+](=O)[O-] ZINC000813104553 587248169 /nfs/dbraw/zinc/24/81/69/587248169.db2.gz DUYBTXBALHKILT-JTQLQIEISA-N 0 3 327.337 0.792 20 5 ECBDHN COC(=O)[C@@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000840361216 587431181 /nfs/dbraw/zinc/43/11/81/587431181.db2.gz UXDLGAKOHFZPPD-SECBINFHSA-N 0 3 335.320 0.672 20 5 ECBDHN CCN(CC)C(=O)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000818974619 587463199 /nfs/dbraw/zinc/46/31/99/587463199.db2.gz CMYFGKYSUXDJAH-ZDUSSCGKSA-N 0 3 325.365 0.793 20 5 ECBDHN CC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000819141080 587470083 /nfs/dbraw/zinc/47/00/83/587470083.db2.gz UXBJNMGFRLITKL-HUUCEWRRSA-N 0 3 337.376 0.855 20 5 ECBDHN CC(=O)N1C[C@H]2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000821331654 587586131 /nfs/dbraw/zinc/58/61/31/587586131.db2.gz BXJNQVOQSLBNTN-LZWOXQAQSA-N 0 3 349.387 0.745 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000827012925 588095270 /nfs/dbraw/zinc/09/52/70/588095270.db2.gz CYTLYAVDRHSRJH-CYBMUJFWSA-N 0 3 340.424 0.587 20 5 ECBDHN Cc1n[nH]c(C(C)C)c1C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954239883 612789075 /nfs/dbraw/zinc/78/90/75/612789075.db2.gz UYNNISOZFUZHOI-VXGBXAGGSA-N 0 3 349.391 0.790 20 5 ECBDHN Cn1ccc(C(=O)N[C@H]2C[C@H](CNCc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000983462229 743223346 /nfs/dbraw/zinc/22/33/46/743223346.db2.gz VVGATXZNKRTHCI-AULYBMBSSA-N 0 3 346.391 0.965 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000983736141 745136295 /nfs/dbraw/zinc/13/62/95/745136295.db2.gz HKRPQSYEFOTEGW-UMSPYCQHSA-N 0 3 332.364 0.955 20 5 ECBDHN Cc1nnsc1CN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001399264 746340682 /nfs/dbraw/zinc/34/06/82/746340682.db2.gz LEUNVAKWZCRUOY-VXGBXAGGSA-N 0 3 339.421 0.840 20 5 ECBDHN O=C(NCCNCc1ccn(-c2ccccc2F)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936628 756764310 /nfs/dbraw/zinc/76/43/10/756764310.db2.gz NDYWRSCBALBUKK-IUODEOHRSA-N 0 3 347.350 0.882 20 5 ECBDHN CC/C=C/CCN1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001107167533 757234760 /nfs/dbraw/zinc/23/47/60/757234760.db2.gz ANUBPYJBHCLCCV-LRPXVYOUSA-N 0 3 348.407 0.773 20 5 ECBDHN NC(=O)CC(=O)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001050467652 760313717 /nfs/dbraw/zinc/31/37/17/760313717.db2.gz GYNYDPQJCOZCGA-UHFFFAOYSA-N 0 3 346.387 0.895 20 5 ECBDHN O=C(NCC1CN(Cc2ccc3c(c2)OCCO3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661880 766378386 /nfs/dbraw/zinc/37/83/86/766378386.db2.gz LPUUFJNVCDCTFJ-ZIAGYGMSSA-N 0 3 347.371 0.671 20 5 ECBDHN Cn1nnc2cc(CN3CC(CNC(=O)[C@@H]4CC4[N+](=O)[O-])C3)ccc21 ZINC001031662085 766380050 /nfs/dbraw/zinc/38/00/50/766380050.db2.gz UIRDHYJVNQOXCW-IUODEOHRSA-N 0 3 344.375 0.182 20 5 ECBDHN Cn1cc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)nn1 ZINC001020126168 772190122 /nfs/dbraw/zinc/19/01/22/772190122.db2.gz DQFUFBZGCCNJKI-HAQNSBGRSA-N 0 3 330.348 0.774 20 5 ECBDHN O=C(N[C@H]1C[C@H](NCc2cn(CC3CC3)nn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138912 772205675 /nfs/dbraw/zinc/20/56/75/772205675.db2.gz HSPCRDYNSKKLKV-HBJVGIJOSA-N 0 3 334.380 0.090 20 5 ECBDHN Cn1nc(C2CC2)nc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139777 772207189 /nfs/dbraw/zinc/20/71/89/772207189.db2.gz MTFUBBYCSABHEM-DDHJBXDOSA-N 0 3 334.380 0.095 20 5 ECBDHN CCc1[nH]nc(C(=O)N2CCO[C@@H]3CCN(CC)C[C@H]32)c1[N+](=O)[O-] ZINC000355304045 299235196 /nfs/dbraw/zinc/23/51/96/299235196.db2.gz AUPOASUFSRFAHR-VXGBXAGGSA-N 0 3 337.380 0.816 20 5 ECBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CNCCO1 ZINC000420474605 209374382 /nfs/dbraw/zinc/37/43/82/209374382.db2.gz FWYWPXXORIXEAG-GFCCVEGCSA-N 0 3 329.378 0.424 20 5 ECBDHN NC[C@H](NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000420070346 209296832 /nfs/dbraw/zinc/29/68/32/209296832.db2.gz WTTLXRBKVZYHGT-AWEZNQCLSA-N 0 3 348.359 0.038 20 5 ECBDHN COc1ccc(S(=O)(=O)N[C@H]2CNCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193418174 201055660 /nfs/dbraw/zinc/05/56/60/201055660.db2.gz HTPNIDVADRSKAZ-ONGXEEELSA-N 0 3 329.378 0.880 20 5 ECBDHN COc1ccc(S(=O)(=O)N[C@@H]2CNCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193418199 201056126 /nfs/dbraw/zinc/05/61/26/201056126.db2.gz HTPNIDVADRSKAZ-GXSJLCMTSA-N 0 3 329.378 0.880 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262723906 245147246 /nfs/dbraw/zinc/14/72/46/245147246.db2.gz GLVFYOKAACXMDC-WOPDTQHZSA-N 0 3 334.376 0.922 20 5 ECBDHN C[C@@H]1NCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262749876 245159318 /nfs/dbraw/zinc/15/93/18/245159318.db2.gz GMWRZHPVTXWWSD-QWRGUYRKSA-N 0 3 330.348 0.998 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@H]2CCSC2)cc1 ZINC000161958042 206378576 /nfs/dbraw/zinc/37/85/76/206378576.db2.gz PNMMPWAXLTUXAC-JTQLQIEISA-N 0 3 331.419 0.968 20 5 ECBDHN Cc1cc(NC[C@H](O)Cn2ccnn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000413445790 208328146 /nfs/dbraw/zinc/32/81/46/208328146.db2.gz XRYMNANOCBUVBN-LBPRGKRZSA-N 0 3 328.332 0.938 20 5 ECBDHN COC(=O)N1CC(NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000496679948 255120743 /nfs/dbraw/zinc/12/07/43/255120743.db2.gz UQFIYJCXCUUQGX-NSHDSACASA-N 0 3 325.321 0.375 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272186931 296763112 /nfs/dbraw/zinc/76/31/12/296763112.db2.gz DZHJEXPBKRSUGS-ZDUSSCGKSA-N 0 3 339.377 0.642 20 5 ECBDHN [NH3+][C@@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000262830761 165393331 /nfs/dbraw/zinc/39/33/31/165393331.db2.gz ZUOIZAVGOSDSAV-VIFPVBQESA-N 0 3 343.361 0.382 20 5 ECBDHN COc1ccc(CNCC2CN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000189682615 263163627 /nfs/dbraw/zinc/16/36/27/263163627.db2.gz LDDGKWPPEANQGB-UHFFFAOYSA-N 0 3 329.378 0.584 20 5 ECBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269619099 263192241 /nfs/dbraw/zinc/19/22/41/263192241.db2.gz MKQURWITCMCNMI-OLZOCXBDSA-N 0 3 336.392 0.993 20 5 ECBDHN C[NH+]1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])n[n-]3)cn2)CC1 ZINC000285444512 264313644 /nfs/dbraw/zinc/31/36/44/264313644.db2.gz MGHKJYALAPHJQS-UHFFFAOYSA-N 0 3 345.363 0.395 20 5 ECBDHN CC(C)OCCN1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000286100886 264370448 /nfs/dbraw/zinc/37/04/48/264370448.db2.gz MODFNYXQRXDZAI-UHFFFAOYSA-N 0 3 325.369 0.937 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1[C@@H](CO)CC[C@@H]1CO ZINC000287392788 264447063 /nfs/dbraw/zinc/44/70/63/264447063.db2.gz NNDRLRKWMDGWKY-UPJWGTAASA-N 0 3 326.349 0.152 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193479311 277075954 /nfs/dbraw/zinc/07/59/54/277075954.db2.gz WLCUNEQJRRMZJN-AWEZNQCLSA-N 0 3 333.392 0.920 20 5 ECBDHN CCO[C@@H]1C[C@@](CO)(NCCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000189998634 437613124 /nfs/dbraw/zinc/61/31/24/437613124.db2.gz QCKUHKCLOFWZGW-CJNGLKHVSA-N 0 3 339.392 0.912 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)n1 ZINC000332668183 297063976 /nfs/dbraw/zinc/06/39/76/297063976.db2.gz QAQXXKGXKPXGPZ-MWLCHTKSSA-N 0 3 327.410 0.929 20 5 ECBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 ZINC000332676475 297064933 /nfs/dbraw/zinc/06/49/33/297064933.db2.gz ROSREAWCJOYVMV-LLVKDONJSA-N 0 3 345.425 0.916 20 5 ECBDHN CN1CCN(CCC(C)(C)NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000354462609 437622332 /nfs/dbraw/zinc/62/23/32/437622332.db2.gz OCTPHXYHPILOMK-UHFFFAOYSA-N 0 3 338.412 0.324 20 5 ECBDHN CNC(=O)C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000361641686 300112527 /nfs/dbraw/zinc/11/25/27/300112527.db2.gz CZWRZATUFDFOEB-HUUCEWRRSA-N 0 3 347.375 0.619 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363192842 300253663 /nfs/dbraw/zinc/25/36/63/300253663.db2.gz OVXBYAXEGNWDLK-QWHCGFSZSA-N 0 3 334.376 0.986 20 5 ECBDHN CN1CCC(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 ZINC000363869552 300301417 /nfs/dbraw/zinc/30/14/17/300301417.db2.gz RISWRALBVJBVFF-LLVKDONJSA-N 0 3 348.407 0.470 20 5 ECBDHN CN1CCC[C@@H](N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000364884733 300396980 /nfs/dbraw/zinc/39/69/80/300396980.db2.gz DTEUAEIQPXSZEH-CQSZACIVSA-N 0 3 347.419 0.910 20 5 ECBDHN CCOC(=O)[C@](C)(O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373292598 301056826 /nfs/dbraw/zinc/05/68/26/301056826.db2.gz JWWJZVWWWNGBKI-CQSZACIVSA-N 0 3 326.353 0.742 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCCO2)c([N+](=O)[O-])c1 ZINC000390094464 301452368 /nfs/dbraw/zinc/45/23/68/301452368.db2.gz FUQUCNIECRUPTR-LLVKDONJSA-N 0 3 345.377 0.260 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](CN2CCOCC2)C1 ZINC000090550732 436433206 /nfs/dbraw/zinc/43/32/06/436433206.db2.gz FMGMGIRJMINDNK-AWEZNQCLSA-N 0 3 336.392 0.411 20 5 ECBDHN CCc1ccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000552082655 302383494 /nfs/dbraw/zinc/38/34/94/302383494.db2.gz ZNROKUVWDVRSLC-LLVKDONJSA-N 0 3 336.392 0.953 20 5 ECBDHN CN(C)CCN(Cc1ccco1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000121178722 436710524 /nfs/dbraw/zinc/71/05/24/436710524.db2.gz XLQRPLOQPAQBMG-UHFFFAOYSA-N 0 3 348.359 0.940 20 5 ECBDHN CN(C)CCn1cc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000120126857 436679278 /nfs/dbraw/zinc/67/92/78/436679278.db2.gz DIGAPUQIOOZYEB-UHFFFAOYSA-N 0 3 346.347 0.930 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](OCCO)C1 ZINC000273349884 436747994 /nfs/dbraw/zinc/74/79/94/436747994.db2.gz PBYSQOJXEIFPGW-ZIAGYGMSSA-N 0 3 340.376 0.808 20 5 ECBDHN COC(=O)C1=NOC2(C1)CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000274573150 436846197 /nfs/dbraw/zinc/84/61/97/436846197.db2.gz CMNOPDPCHSFZTI-UHFFFAOYSA-N 0 3 337.336 0.575 20 5 ECBDHN CCN(CCO)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000274485255 436832349 /nfs/dbraw/zinc/83/23/49/436832349.db2.gz AVHCKOCOWZKFJT-UHFFFAOYSA-N 0 3 325.321 0.368 20 5 ECBDHN COC(=O)c1cn(CCN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)nn1 ZINC000284142161 437043386 /nfs/dbraw/zinc/04/33/86/437043386.db2.gz QFCZTHXRPUQMCP-VIFPVBQESA-N 0 3 334.336 0.906 20 5 ECBDHN COCCN1CC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000264568432 437046564 /nfs/dbraw/zinc/04/65/64/437046564.db2.gz RYXSGFZSOIVIQF-SNVBAGLBSA-N 0 3 333.348 0.922 20 5 ECBDHN COc1ccc(CNC[C@@](C)(O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000174484766 437080444 /nfs/dbraw/zinc/08/04/44/437080444.db2.gz REDOJRXZHRMLPE-MRXNPFEDSA-N 0 3 339.392 0.776 20 5 ECBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000286485558 437092206 /nfs/dbraw/zinc/09/22/06/437092206.db2.gz SRRLTMGLCNPTPV-RYUDHWBXSA-N 0 3 337.380 0.654 20 5 ECBDHN Cn1cc(C[C@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000304505074 437159296 /nfs/dbraw/zinc/15/92/96/437159296.db2.gz GWCMHXAAROSWIU-DOMZBBRYSA-N 0 3 334.380 0.450 20 5 ECBDHN CNC(=O)OC[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286684637 437116962 /nfs/dbraw/zinc/11/69/62/437116962.db2.gz CNWRMEFJBYKCAM-DGCLKSJQSA-N 0 3 341.368 0.363 20 5 ECBDHN CN1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](CN)C1 ZINC000316255668 437186145 /nfs/dbraw/zinc/18/61/45/437186145.db2.gz ACBAZLRRGDVZHP-SNVBAGLBSA-N 0 3 348.812 0.512 20 5 ECBDHN COc1cc(CCNC(=O)[C@@]2(F)CCNC2)c([N+](=O)[O-])cc1OC ZINC000178349165 437212075 /nfs/dbraw/zinc/21/20/75/437212075.db2.gz JQVMRXNCKZJGLH-OAHLLOKOSA-N 0 3 341.339 0.972 20 5 ECBDHN O=C(C[C@@H]1CNCCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000325608914 437230447 /nfs/dbraw/zinc/23/04/47/437230447.db2.gz SUVMVMAVGQSFQK-CYBMUJFWSA-N 0 3 335.364 0.017 20 5 ECBDHN CC1(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CNC1 ZINC000325885514 437233234 /nfs/dbraw/zinc/23/32/34/437233234.db2.gz JIIZKQZQKVADIY-UHFFFAOYSA-N 0 3 335.364 0.017 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCCCC1 ZINC000288128662 437282390 /nfs/dbraw/zinc/28/23/90/437282390.db2.gz AOIMBFOPXVGEJA-ZDUSSCGKSA-N 0 3 337.376 0.937 20 5 ECBDHN CC(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)S(C)(=O)=O ZINC000278257716 437297528 /nfs/dbraw/zinc/29/75/28/437297528.db2.gz XVIJFSSUEBACPK-SSDOTTSWSA-N 0 3 326.334 0.520 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc2c(c1)CNC2 ZINC000188696060 437562378 /nfs/dbraw/zinc/56/23/78/437562378.db2.gz WALKZFILRTUAAH-UHFFFAOYSA-N 0 3 328.328 0.676 20 5 ECBDHN CC1CCN(C[C@H](O)CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000330658398 437581893 /nfs/dbraw/zinc/58/18/93/437581893.db2.gz OYCHEAIDFBTLRQ-LLVKDONJSA-N 0 3 325.369 0.151 20 5 ECBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000360312937 437581991 /nfs/dbraw/zinc/58/19/91/437581991.db2.gz ZZNLOIJLNVVBMF-TZMCWYRMSA-N 0 3 344.375 0.823 20 5 ECBDHN C[C@H](c1ccccc1)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000292394833 437685533 /nfs/dbraw/zinc/68/55/33/437685533.db2.gz ZYUIBAZVSONMEE-BYCMXARLSA-N 0 3 347.375 0.399 20 5 ECBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNCCOC ZINC000415538568 437818514 /nfs/dbraw/zinc/81/85/14/437818514.db2.gz JYLVSTIULHOHAJ-UHFFFAOYSA-N 0 3 338.364 0.448 20 5 ECBDHN CCOC(=O)c1cc(C(=O)NC[C@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC000423983676 437870194 /nfs/dbraw/zinc/87/01/94/437870194.db2.gz AQJYRMZHEFJYQU-CYBMUJFWSA-N 0 3 337.332 0.490 20 5 ECBDHN O=C(NC[C@H]1CNCCO1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000423996336 437872867 /nfs/dbraw/zinc/87/28/67/437872867.db2.gz WNRWCQNCJSGUCU-CYBMUJFWSA-N 0 3 331.332 0.499 20 5 ECBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCOC2(CNC2)C1 ZINC000415896301 437879186 /nfs/dbraw/zinc/87/91/86/437879186.db2.gz QQPZCAQDSFYZBL-UHFFFAOYSA-N 0 3 348.359 0.297 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000416492935 437944519 /nfs/dbraw/zinc/94/45/19/437944519.db2.gz BZOHZAZCRBXVQU-JTQLQIEISA-N 0 3 329.378 0.833 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000416498100 437946501 /nfs/dbraw/zinc/94/65/01/437946501.db2.gz WIKYZKOFXQTJQL-SNVBAGLBSA-N 0 3 329.378 0.833 20 5 ECBDHN O=C(CCN1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366336697 438056404 /nfs/dbraw/zinc/05/64/04/438056404.db2.gz YRYTZIAOYSJRND-STQMWFEESA-N 0 3 346.343 0.518 20 5 ECBDHN O=C(CCOC1CNC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000348987330 438123804 /nfs/dbraw/zinc/12/38/04/438123804.db2.gz FOVOPVADISMEII-UHFFFAOYSA-N 0 3 334.376 0.622 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000358056721 438133680 /nfs/dbraw/zinc/13/36/80/438133680.db2.gz AYTBCCKLKJPSDL-INIZCTEOSA-N 0 3 345.359 0.577 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000358053820 438133285 /nfs/dbraw/zinc/13/32/85/438133285.db2.gz JBNOMDIMTFNFBZ-KRWDZBQOSA-N 0 3 348.403 0.991 20 5 ECBDHN COc1cnccc1N1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000358304976 438196951 /nfs/dbraw/zinc/19/69/51/438196951.db2.gz HDNQLRBTWMOPLX-UHFFFAOYSA-N 0 3 346.347 0.992 20 5 ECBDHN Nc1nccc([C@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000368455287 438331927 /nfs/dbraw/zinc/33/19/27/438331927.db2.gz OCHMDPOAUSZNAI-AAEUAGOBSA-N 0 3 347.379 0.404 20 5 ECBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419046074 438302251 /nfs/dbraw/zinc/30/22/51/438302251.db2.gz XKDWUUNTBHGDSQ-ZDUSSCGKSA-N 0 3 336.392 0.743 20 5 ECBDHN CN1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358796243 438302924 /nfs/dbraw/zinc/30/29/24/438302924.db2.gz IHLMRLRSRQELSG-UHFFFAOYSA-N 0 3 349.391 0.558 20 5 ECBDHN COCCN(C)C[C@@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000388284063 438424487 /nfs/dbraw/zinc/42/44/87/438424487.db2.gz SDEXONXJCDZJKG-MRVPVSSYSA-N 0 3 337.174 0.493 20 5 ECBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000420972722 438453817 /nfs/dbraw/zinc/45/38/17/438453817.db2.gz LCIXVWVFZFFSOL-LBPRGKRZSA-N 0 3 343.405 0.841 20 5 ECBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000359843007 438507788 /nfs/dbraw/zinc/50/77/88/438507788.db2.gz QUHGKEVWKAZEDB-UKRRQHHQSA-N 0 3 326.349 0.418 20 5 ECBDHN CNc1nc(C(=O)NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000456028461 438756620 /nfs/dbraw/zinc/75/66/20/438756620.db2.gz ILJAQCWAEFIHRZ-LLVKDONJSA-N 0 3 337.380 0.608 20 5 ECBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)Cc1ccccc1 ZINC000595598777 438831325 /nfs/dbraw/zinc/83/13/25/438831325.db2.gz WPQZEFMDKXGSQV-GOEBONIOSA-N 0 3 334.376 0.688 20 5 ECBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)Cc1ccccc1 ZINC000595598776 438832549 /nfs/dbraw/zinc/83/25/49/438832549.db2.gz WPQZEFMDKXGSQV-GDBMZVCRSA-N 0 3 334.376 0.688 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860511 438842940 /nfs/dbraw/zinc/84/29/40/438842940.db2.gz GQLATMNAEPZCRC-KGLIPLIRSA-N 0 3 335.360 0.641 20 5 ECBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860108 438843974 /nfs/dbraw/zinc/84/39/74/438843974.db2.gz DMOOYPYFYOUJDT-RYUDHWBXSA-N 0 3 345.359 0.752 20 5 ECBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000561316780 438844768 /nfs/dbraw/zinc/84/47/68/438844768.db2.gz XWGJRNCGLSUTMJ-NSHDSACASA-N 0 3 336.396 0.328 20 5 ECBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H](CO)CN1CCCC1 ZINC000588869364 438847278 /nfs/dbraw/zinc/84/72/78/438847278.db2.gz NZVALONXEYZYEB-CYBMUJFWSA-N 0 3 336.392 0.970 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@@H](F)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000595947360 438894707 /nfs/dbraw/zinc/89/47/07/438894707.db2.gz KOYFVVKPNFEFQT-VXGBXAGGSA-N 0 3 338.339 0.531 20 5 ECBDHN CN1C[C@H]2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[C@H]2C1 ZINC000590044071 438897897 /nfs/dbraw/zinc/89/78/97/438897897.db2.gz GNLZRIIGGCAQIT-ABAIWWIYSA-N 0 3 342.359 0.952 20 5 ECBDHN C[C@H]([NH3+])C[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000578133822 438898554 /nfs/dbraw/zinc/89/85/54/438898554.db2.gz VJOXZSLNEGMMKU-UWVGGRQHSA-N 0 3 344.393 0.115 20 5 ECBDHN CC(C)NC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595849787 438869778 /nfs/dbraw/zinc/86/97/78/438869778.db2.gz INILGGCQTNDEBF-CYBMUJFWSA-N 0 3 336.392 0.993 20 5 ECBDHN CN1CCN(CC2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000590399861 438918921 /nfs/dbraw/zinc/91/89/21/438918921.db2.gz LTTURRRKFDDOSD-UHFFFAOYSA-N 0 3 332.404 0.843 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590444201 438924782 /nfs/dbraw/zinc/92/47/82/438924782.db2.gz MCTOYAOKWDYNCG-HIFRSBDPSA-N 0 3 346.387 0.796 20 5 ECBDHN CN(C)[C@]1(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCSC1 ZINC000565184606 438925339 /nfs/dbraw/zinc/92/53/39/438925339.db2.gz BBENCIKKKJEEKN-ZDUSSCGKSA-N 0 3 325.394 0.739 20 5 ECBDHN NS(=O)(=O)c1ccc(N[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000596091548 438925601 /nfs/dbraw/zinc/92/56/01/438925601.db2.gz NHBCTADJQRNBPA-JTQLQIEISA-N 0 3 326.378 0.891 20 5 ECBDHN O=C(Nc1ccncc1[N+](=O)[O-])NC1CCN([C@H]2CCOC2)CC1 ZINC000596817840 439004438 /nfs/dbraw/zinc/00/44/38/439004438.db2.gz SPGVXYKEENQRBG-LBPRGKRZSA-N 0 3 335.364 0.787 20 5 ECBDHN O=C(NCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccn[nH]1 ZINC000566132025 439009654 /nfs/dbraw/zinc/00/96/54/439009654.db2.gz IZYJQBQROFLVOI-LBPRGKRZSA-N 0 3 349.347 0.077 20 5 ECBDHN CC(C)(C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000519558488 439040943 /nfs/dbraw/zinc/04/09/43/439040943.db2.gz VFIFTLWAFQZCQU-KBPBESRZSA-N 0 3 346.387 0.643 20 5 ECBDHN O=c1[nH]c2c(cc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000591739610 439077668 /nfs/dbraw/zinc/07/76/68/439077668.db2.gz OVXNZCLXXXCMOU-ZDUSSCGKSA-N 0 3 333.348 0.531 20 5 ECBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000591756652 439080035 /nfs/dbraw/zinc/08/00/35/439080035.db2.gz MRXPVJZIJZDUEL-ZENOOKHLSA-N 0 3 339.392 0.643 20 5 ECBDHN CN1C(=O)CC[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000566733723 439084542 /nfs/dbraw/zinc/08/45/42/439084542.db2.gz XXWCBYKVFHKPQG-GHMZBOCLSA-N 0 3 337.332 0.072 20 5 ECBDHN NCCN(Cc1ccccc1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000592543046 439248960 /nfs/dbraw/zinc/24/89/60/439248960.db2.gz LJUIZLXLJABCDH-UHFFFAOYSA-N 0 3 330.344 0.744 20 5 ECBDHN CN1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598894835 439323410 /nfs/dbraw/zinc/32/34/10/439323410.db2.gz TUNKGTGIKHPDDI-UHFFFAOYSA-N 0 3 335.364 0.880 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(Cn2cnnc2)CC1 ZINC000593078475 439336354 /nfs/dbraw/zinc/33/63/54/439336354.db2.gz ZCKRRWNEGIIROR-UHFFFAOYSA-N 0 3 332.364 0.760 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000592875453 439293283 /nfs/dbraw/zinc/29/32/83/439293283.db2.gz YVVYILWWPXFVPL-GFCCVEGCSA-N 0 3 334.376 0.716 20 5 ECBDHN CN(C)[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000570048803 439387480 /nfs/dbraw/zinc/38/74/80/439387480.db2.gz OZQMVLMRMDBIMK-GJZGRUSLSA-N 0 3 334.376 0.091 20 5 ECBDHN Cc1c(NC(=O)CCN2CCN3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594027857 439509797 /nfs/dbraw/zinc/50/97/97/439509797.db2.gz SUKDWVIFEUHTNJ-UONOGXRCSA-N 0 3 348.403 0.983 20 5 ECBDHN O=C(NC1CC1)c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594603011 439581319 /nfs/dbraw/zinc/58/13/19/439581319.db2.gz HCWZEMQLKOGWNO-UONOGXRCSA-N 0 3 346.387 0.742 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584361929 439582839 /nfs/dbraw/zinc/58/28/39/439582839.db2.gz IARDJSZAVPETCU-NWDGAFQWSA-N 0 3 347.375 0.086 20 5 ECBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC(=O)N(C)C1 ZINC000572682262 439600835 /nfs/dbraw/zinc/60/08/35/439600835.db2.gz KGEJNYFHOSCEPG-STQMWFEESA-N 0 3 337.376 0.887 20 5 ECBDHN CS(=O)(=O)Nc1cccc(CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000610890243 439652669 /nfs/dbraw/zinc/65/26/69/439652669.db2.gz YOILVHRQBVNYKQ-UHFFFAOYSA-N 0 3 339.377 0.953 20 5 ECBDHN COCCNC(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000610484793 439620882 /nfs/dbraw/zinc/62/08/82/439620882.db2.gz JQOYJZYXNWORGL-UHFFFAOYSA-N 0 3 325.369 0.266 20 5 ECBDHN Cn1c(=O)oc2ccc(CNC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000600758973 439700655 /nfs/dbraw/zinc/70/06/55/439700655.db2.gz XYCSLRPDSJLTBU-GFCCVEGCSA-N 0 3 347.331 0.387 20 5 ECBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000611236552 439683761 /nfs/dbraw/zinc/68/37/61/439683761.db2.gz STNMJVWGDJCOSJ-LBPRGKRZSA-N 0 3 336.396 0.180 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H](n2cccn2)C(F)(F)F)c1 ZINC000600744501 439697000 /nfs/dbraw/zinc/69/70/00/439697000.db2.gz GOXYZPQOONBLHA-MNOVXSKESA-N 0 3 348.285 0.742 20 5 ECBDHN N[C@@H](CC(F)F)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000323936366 320720621 /nfs/dbraw/zinc/72/06/21/320720621.db2.gz RUXFQEAAWCDNQV-JTQLQIEISA-N 0 3 329.307 0.621 20 5 ECBDHN CC(C)C[C@H](Nc1c([N+](=O)[O-])ncn1C)C(=O)NCCN(C)C ZINC000340080934 321014855 /nfs/dbraw/zinc/01/48/55/321014855.db2.gz VXMRDONGAXUGBR-NSHDSACASA-N 0 3 326.401 0.833 20 5 ECBDHN NC(C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000353479101 321393994 /nfs/dbraw/zinc/39/39/94/321393994.db2.gz GOBHSCMZMXJKNS-XCBNKYQSSA-N 0 3 333.270 0.892 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000560634528 322247938 /nfs/dbraw/zinc/24/79/38/322247938.db2.gz IEMAFWLCPNEKGT-GJZGRUSLSA-N 0 3 334.376 0.916 20 5 ECBDHN C[S@](=O)C1(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000573597030 322764501 /nfs/dbraw/zinc/76/45/01/322764501.db2.gz PYRLSYVQZHLXRU-YTEVENLXSA-N 0 3 328.390 0.835 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000576600185 322811035 /nfs/dbraw/zinc/81/10/35/322811035.db2.gz UMQUJBVMLLTIRP-CHWSQXEVSA-N 0 3 347.375 0.091 20 5 ECBDHN CNC(=O)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000025755606 545661623 /nfs/dbraw/zinc/66/16/23/545661623.db2.gz LBOYSYPDEVCYAP-AWEZNQCLSA-N 0 3 337.376 0.793 20 5 ECBDHN C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000736759211 578450024 /nfs/dbraw/zinc/45/00/24/578450024.db2.gz QACPAUFGKDCJRV-LLVKDONJSA-N 0 3 333.352 0.542 20 5 ECBDHN Cc1cc(Br)c(NC(=O)C(=O)NCCN)cc1[N+](=O)[O-] ZINC000841147226 588979672 /nfs/dbraw/zinc/97/96/72/588979672.db2.gz YYJXKXZIMPQGCN-UHFFFAOYSA-N 0 3 345.153 0.679 20 5 ECBDHN C[C@H]1CN(c2ccncc2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000895278227 586174017 /nfs/dbraw/zinc/17/40/17/586174017.db2.gz QPTYFFLHCYORNI-LBPRGKRZSA-N 0 3 330.348 0.924 20 5 ECBDHN C[C@@H](C[NH3+])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842782594 589036204 /nfs/dbraw/zinc/03/62/04/589036204.db2.gz PLYJNKTUHFIOTM-LURJTMIESA-N 0 3 338.183 0.983 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000843114700 589051637 /nfs/dbraw/zinc/05/16/37/589051637.db2.gz FRNAUPHNBFLZMV-ZLDLUXBVSA-N 0 3 334.332 0.236 20 5 ECBDHN CN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](CN)C1 ZINC000843357935 589063778 /nfs/dbraw/zinc/06/37/78/589063778.db2.gz UCXOLMGDYKQGEM-JTQLQIEISA-N 0 3 326.328 0.214 20 5 ECBDHN COc1cc([C@H](C)NC[C@@]2(CO)COCCN2C)cc([N+](=O)[O-])c1 ZINC000903224383 586772686 /nfs/dbraw/zinc/77/26/86/586772686.db2.gz VJMUCMIFELDGAL-BLLLJJGKSA-N 0 3 339.392 0.947 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000808174711 587147597 /nfs/dbraw/zinc/14/75/97/587147597.db2.gz OHKKAOZOUGAMIB-YGRLFVJLSA-N 0 3 336.348 0.127 20 5 ECBDHN CC(COC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)[N+](=O)[O-] ZINC000813104556 587247992 /nfs/dbraw/zinc/24/79/92/587247992.db2.gz DUYBTXBALHKILT-SNVBAGLBSA-N 0 3 327.337 0.792 20 5 ECBDHN COCCNS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111140 587248533 /nfs/dbraw/zinc/24/85/33/587248533.db2.gz ONDDSIXOGCAELS-JTQLQIEISA-N 0 3 346.361 0.433 20 5 ECBDHN COCCS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106531 587248618 /nfs/dbraw/zinc/24/86/18/587248618.db2.gz CWADHQZJNYSSPF-JTQLQIEISA-N 0 3 331.346 0.929 20 5 ECBDHN CC(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[N+](=O)[O-] ZINC000813106513 587248626 /nfs/dbraw/zinc/24/86/26/587248626.db2.gz CUJMPWYHEKUEAO-ZETCQYMHSA-N 0 3 337.244 0.399 20 5 ECBDHN O=C(NC[C@H]1CNCCO1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000818007503 587396699 /nfs/dbraw/zinc/39/66/99/587396699.db2.gz BUJAQRRNNWOBBT-CYBMUJFWSA-N 0 3 334.376 0.913 20 5 ECBDHN CC(=O)N1C[C@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000821328888 587586232 /nfs/dbraw/zinc/58/62/32/587586232.db2.gz SKXWHWUQGLKZRK-ZNMIVQPWSA-N 0 3 349.387 0.745 20 5 ECBDHN CC(C)(CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[N+](=O)[O-] ZINC000823091141 587701774 /nfs/dbraw/zinc/70/17/74/587701774.db2.gz DISIFPUAHAZEDC-UHFFFAOYSA-N 0 3 340.424 0.589 20 5 ECBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825516949 587947703 /nfs/dbraw/zinc/94/77/03/587947703.db2.gz HHDQWRMXVCIDJH-KFWWJZLASA-N 0 3 335.360 0.608 20 5 ECBDHN C[C@H](N)CN(C)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000861616105 589867754 /nfs/dbraw/zinc/86/77/54/589867754.db2.gz AYFMHYKEWXTKCX-JTQLQIEISA-N 0 3 344.393 0.357 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@]12COCCN1C(=O)COC2 ZINC000873149431 590185250 /nfs/dbraw/zinc/18/52/50/590185250.db2.gz OPMVHQIGTLRNEF-QGZVFWFLSA-N 0 3 349.387 0.929 20 5 ECBDHN CN(C(=O)CN1C[C@@H]2CCCN2C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000880072510 590365790 /nfs/dbraw/zinc/36/57/90/590365790.db2.gz WKQRBXOEGAAARB-JKSUJKDBSA-N 0 3 348.403 0.699 20 5 ECBDHN O=C([C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1)N1CCNCC1 ZINC000886827815 590886893 /nfs/dbraw/zinc/88/68/93/590886893.db2.gz SAQNZVINLCQFOB-CQSZACIVSA-N 0 3 333.392 0.634 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000932033815 611594271 /nfs/dbraw/zinc/59/42/71/611594271.db2.gz FYVGJQUOLOWLSC-ZDUSSCGKSA-N 0 3 339.396 0.669 20 5 ECBDHN C[C@H]1COC[C@H]1NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000932494370 611634829 /nfs/dbraw/zinc/63/48/29/611634829.db2.gz POSLCIKUJZIFSZ-XJKSGUPXSA-N 0 3 348.403 0.868 20 5 ECBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C2CN(Cc3ccccc3)C2)CC1 ZINC000941407790 610722296 /nfs/dbraw/zinc/72/22/96/610722296.db2.gz WUSSHWOUXWEJAP-IAGOWNOFSA-N 0 3 344.415 0.680 20 5 ECBDHN CCc1oncc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001167462379 734607506 /nfs/dbraw/zinc/60/75/06/734607506.db2.gz QPRBRTYKMKWABV-UHFFFAOYSA-N 0 3 336.352 0.788 20 5 ECBDHN CC(C)=CCNCc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235329 741526284 /nfs/dbraw/zinc/52/62/84/741526284.db2.gz ACEXJPBCWWPLCR-ZIAGYGMSSA-N 0 3 334.380 0.382 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000997039626 743159567 /nfs/dbraw/zinc/15/95/67/743159567.db2.gz DVAAGPYEEMNPOQ-UHFFFAOYSA-N 0 3 347.379 0.375 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)C2=CCOCC2)C1 ZINC000983534245 743375826 /nfs/dbraw/zinc/37/58/26/743375826.db2.gz UNVUTMMZULAKPK-AULYBMBSSA-N 0 3 349.391 0.659 20 5 ECBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CNCc2nnc(C3CC3)o2)CC1 ZINC000997770823 743800204 /nfs/dbraw/zinc/80/02/04/743800204.db2.gz ZECFPJRGQXTUBY-CHWSQXEVSA-N 0 3 349.391 0.940 20 5 ECBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CNCc2cnsn2)CC1 ZINC000997773074 743802133 /nfs/dbraw/zinc/80/21/33/743802133.db2.gz SLEZRAZJJRBLRI-VXGBXAGGSA-N 0 3 325.394 0.532 20 5 ECBDHN Cn1ccc(CN2CCC(C3(NC(=O)[C@@H]4CC4[N+](=O)[O-])CC3)CC2)n1 ZINC001000152234 745295326 /nfs/dbraw/zinc/29/53/26/745295326.db2.gz BFDHIJVDKDJCCA-HUUCEWRRSA-N 0 3 347.419 0.946 20 5 ECBDHN Cc1nnsc1CN(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985426246 747981498 /nfs/dbraw/zinc/98/14/98/747981498.db2.gz OARQJACIKLXFTE-VXGBXAGGSA-N 0 3 339.421 0.935 20 5 ECBDHN CCCN(C)CC(=O)NC/C=C\CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107280219 758145738 /nfs/dbraw/zinc/14/57/38/758145738.db2.gz JNMIUCIZDDNOIM-PLNGDYQASA-N 0 3 337.384 0.393 20 5 ECBDHN Cn1cc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)nn1 ZINC001022040689 758197236 /nfs/dbraw/zinc/19/72/36/758197236.db2.gz DQFUFBZGCCNJKI-TXEJJXNPSA-N 0 3 330.348 0.774 20 5 ECBDHN CN(C)C1(C(=O)NC/C=C/CNc2ncc([N+](=O)[O-])c(N)n2)CCC1 ZINC001107379390 758421313 /nfs/dbraw/zinc/42/13/13/758421313.db2.gz HHPOHNWKOUZGEP-ONEGZZNKSA-N 0 3 349.395 0.536 20 5 ECBDHN O=C(NC1CN(C(=O)c2cccc3c[nH]nc32)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991286394 760131006 /nfs/dbraw/zinc/13/10/06/760131006.db2.gz AHQHZZJYSLUFJL-VXGBXAGGSA-N 0 3 329.316 0.169 20 5 ECBDHN Cn1c(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nnc1C1CCC1 ZINC001020138815 772205328 /nfs/dbraw/zinc/20/53/28/772205328.db2.gz BNAIUQQNRXMWIE-FDYHWXHSSA-N 0 3 348.407 0.485 20 5 ECBDHN COc1ncccc1CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072721083 788648044 /nfs/dbraw/zinc/64/80/44/788648044.db2.gz CJEGYWZAEYRHAE-ZIAGYGMSSA-N 0 3 346.387 0.790 20 5 ECBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cnn(C)c1N ZINC001266681679 836134913 /nfs/dbraw/zinc/13/49/13/836134913.db2.gz BPPYLNNYCZRPIP-UHFFFAOYSA-N 0 3 332.364 0.772 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428555727 210266568 /nfs/dbraw/zinc/26/65/68/210266568.db2.gz ZAZVHUGYQQTFSS-OAHLLOKOSA-N 0 3 345.359 0.997 20 5 ECBDHN COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000193257747 240080137 /nfs/dbraw/zinc/08/01/37/240080137.db2.gz RZFPDINFOWOZAF-QMMMGPOBSA-N 0 3 333.341 0.773 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363759418 204088073 /nfs/dbraw/zinc/08/80/73/204088073.db2.gz VEOGUHKYVRHELM-CHWSQXEVSA-N 0 3 335.360 0.953 20 5 ECBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@](C)(O)CN(C)C ZINC000161510053 206353556 /nfs/dbraw/zinc/35/35/56/206353556.db2.gz WQIZDZNBBUJRRQ-CQSZACIVSA-N 0 3 345.421 0.803 20 5 ECBDHN CCCc1n[nH]c(C(=O)NCCN(C)CCCOC)c1[N+](=O)[O-] ZINC000266170000 248146119 /nfs/dbraw/zinc/14/61/19/248146119.db2.gz SSRUYVBESGQMHY-UHFFFAOYSA-N 0 3 327.385 0.969 20 5 ECBDHN CN1CC[C@@H]2CN([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000448557131 211251602 /nfs/dbraw/zinc/25/16/02/211251602.db2.gz SGEICJYYWCBKOI-DFBGVHRSSA-N 0 3 344.371 0.863 20 5 ECBDHN CCN1CCN([C@H](C)CNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068467612 296611831 /nfs/dbraw/zinc/61/18/31/296611831.db2.gz MNTUSUGPEWTZJF-GFCCVEGCSA-N 0 3 338.412 0.242 20 5 ECBDHN O=C(CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CCNCC1 ZINC000262221071 165310149 /nfs/dbraw/zinc/31/01/49/165310149.db2.gz UNGJZRWGKKYZFG-UHFFFAOYSA-N 0 3 347.419 0.539 20 5 ECBDHN O=[N+]([O-])c1ccc(OCCN(CCO)CCN2CCOCC2)cc1 ZINC000086169058 263143134 /nfs/dbraw/zinc/14/31/34/263143134.db2.gz KOMADWLJFUDDTB-UHFFFAOYSA-N 0 3 339.392 0.600 20 5 ECBDHN COc1ccc(NC(=O)C(=O)NCC(C)(C)N(C)C)cc1[N+](=O)[O-] ZINC000272825389 263378127 /nfs/dbraw/zinc/37/81/27/263378127.db2.gz DNTYPNIZQNPUJW-UHFFFAOYSA-N 0 3 338.364 0.998 20 5 ECBDHN C[C@H]1C[C@@H](N2CCOCC2)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286093463 264369574 /nfs/dbraw/zinc/36/95/74/264369574.db2.gz SXMPAEZYRGTOAN-DZGCQCFKSA-N 0 3 336.392 0.552 20 5 ECBDHN C[C@H](CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])N(C)C ZINC000298355823 265245188 /nfs/dbraw/zinc/24/51/88/265245188.db2.gz OKBLZHVRQRJBAY-SECBINFHSA-N 0 3 340.405 0.852 20 5 ECBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000354354090 437594465 /nfs/dbraw/zinc/59/44/65/437594465.db2.gz RRECFNUFYVJFOI-GFCCVEGCSA-N 0 3 338.364 0.134 20 5 ECBDHN CCO[C@H]1C[C@@](CO)(NCCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000189998650 437613804 /nfs/dbraw/zinc/61/38/04/437613804.db2.gz QCKUHKCLOFWZGW-BBRMVZONSA-N 0 3 339.392 0.912 20 5 ECBDHN CN(C(=O)CN[C@H](CO)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000359858729 299905237 /nfs/dbraw/zinc/90/52/37/299905237.db2.gz HZLYMBPOXZAMDG-OAHLLOKOSA-N 0 3 337.376 0.935 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339763217 297381095 /nfs/dbraw/zinc/38/10/95/297381095.db2.gz ZFXXAJSSTWOHCN-JKSUJKDBSA-N 0 3 337.376 0.666 20 5 ECBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(CC2CCOCC2)CC1 ZINC000346433650 298278180 /nfs/dbraw/zinc/27/81/80/298278180.db2.gz RGROGSHYBVONMJ-UHFFFAOYSA-N 0 3 349.391 0.637 20 5 ECBDHN C[C@@H]1C[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000353378397 299043555 /nfs/dbraw/zinc/04/35/55/299043555.db2.gz GXLSUCRZOJGAFM-YPMHNXCESA-N 0 3 334.376 0.924 20 5 ECBDHN CNC(=O)C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000361641675 300112392 /nfs/dbraw/zinc/11/23/92/300112392.db2.gz CZWRZATUFDFOEB-CABCVRRESA-N 0 3 347.375 0.619 20 5 ECBDHN N[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccc(F)cc1 ZINC000364204246 300335103 /nfs/dbraw/zinc/33/51/03/300335103.db2.gz YZPFOBHCXFABQQ-QWHCGFSZSA-N 0 3 333.323 0.884 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000367787408 300630769 /nfs/dbraw/zinc/63/07/69/300630769.db2.gz ZLXWKNRLLDASEF-IUCAKERBSA-N 0 3 333.341 0.582 20 5 ECBDHN O=C1C[C@@]2(CN1)CCCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000072833661 436056634 /nfs/dbraw/zinc/05/66/34/436056634.db2.gz FYWQPLYWTBVBOI-RHSMWYFYSA-N 0 3 349.387 0.937 20 5 ECBDHN COC(=O)N1CC(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000497012632 301558732 /nfs/dbraw/zinc/55/87/32/301558732.db2.gz BQRBEPOIPAFJJC-GFCCVEGCSA-N 0 3 325.321 0.375 20 5 ECBDHN C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000114379492 436640652 /nfs/dbraw/zinc/64/06/52/436640652.db2.gz OCXGCCYRJVXNFT-GFCCVEGCSA-N 0 3 335.408 0.790 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000120621095 436693091 /nfs/dbraw/zinc/69/30/91/436693091.db2.gz LMINDBOHLMQJNW-MRXNPFEDSA-N 0 3 347.375 0.823 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](OCCO)C1 ZINC000273349880 436748699 /nfs/dbraw/zinc/74/86/99/436748699.db2.gz PBYSQOJXEIFPGW-KGLIPLIRSA-N 0 3 340.376 0.808 20 5 ECBDHN COCCN(C)CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273461716 436757120 /nfs/dbraw/zinc/75/71/20/436757120.db2.gz ILLXRNPALKHBDW-UHFFFAOYSA-N 0 3 332.382 0.232 20 5 ECBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)Cn3cccn3)C2)nc1 ZINC000245431750 436762737 /nfs/dbraw/zinc/76/27/37/436762737.db2.gz AXSFKCUTNSSZGP-OCCSQVGLSA-N 0 3 332.364 0.734 20 5 ECBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1COc2ccccc2O1 ZINC000246681159 436784093 /nfs/dbraw/zinc/78/40/93/436784093.db2.gz HIZTWFJEBZLBDS-KGLIPLIRSA-N 0 3 348.359 0.924 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)cc1C ZINC000161410049 436889674 /nfs/dbraw/zinc/88/96/74/436889674.db2.gz OQQYWBKXCSJZKN-AWEZNQCLSA-N 0 3 345.421 0.803 20 5 ECBDHN Cc1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000161479539 436891483 /nfs/dbraw/zinc/89/14/83/436891483.db2.gz XDTDLHIVESTRNV-CYBMUJFWSA-N 0 3 331.394 0.494 20 5 ECBDHN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000134353669 436895226 /nfs/dbraw/zinc/89/52/26/436895226.db2.gz LVLFCSCZFIQJKJ-CHWSQXEVSA-N 0 3 345.359 0.683 20 5 ECBDHN CCN(C)C(=O)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000296285423 436989183 /nfs/dbraw/zinc/98/91/83/436989183.db2.gz MZLBUTIQDUDYQS-STQMWFEESA-N 0 3 327.385 0.245 20 5 ECBDHN CCc1n[nH]c(C(=O)NC[C@H]2CCCN2CCOC)c1[N+](=O)[O-] ZINC000171808564 436990274 /nfs/dbraw/zinc/99/02/74/436990274.db2.gz VPHYLSNMBNIIPC-SNVBAGLBSA-N 0 3 325.369 0.721 20 5 ECBDHN C[C@H](CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N(C)C ZINC000298342324 437036152 /nfs/dbraw/zinc/03/61/52/437036152.db2.gz JHGXXPZKDPDTSI-SECBINFHSA-N 0 3 334.332 0.257 20 5 ECBDHN COCCCOC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173795309 437063455 /nfs/dbraw/zinc/06/34/55/437063455.db2.gz BSRIRHAPJKXFMJ-AWEZNQCLSA-N 0 3 342.396 0.670 20 5 ECBDHN CCN1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000267218788 437307539 /nfs/dbraw/zinc/30/75/39/437307539.db2.gz NIUHCURWFPBXOD-UHFFFAOYSA-N 0 3 328.394 0.774 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCO)C[C@H](C)O ZINC000289664129 437432014 /nfs/dbraw/zinc/43/20/14/437432014.db2.gz FLXLKBGHDXRYKO-LBPRGKRZSA-N 0 3 325.365 0.907 20 5 ECBDHN Cc1nc([C@@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000268520725 437430494 /nfs/dbraw/zinc/43/04/94/437430494.db2.gz WLSKCFDAOHWNAB-DGCLKSJQSA-N 0 3 335.368 0.458 20 5 ECBDHN Cc1n[nH]c([C@@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268520725 437430497 /nfs/dbraw/zinc/43/04/97/437430497.db2.gz WLSKCFDAOHWNAB-DGCLKSJQSA-N 0 3 335.368 0.458 20 5 ECBDHN COc1ccc(NC(=O)CCN[C@H]2COC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000290237095 437471742 /nfs/dbraw/zinc/47/17/42/437471742.db2.gz YRDPXIKOSNMCCF-JSGCOSHPSA-N 0 3 339.348 0.935 20 5 ECBDHN COC[C@@H](C)C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000187912658 437518873 /nfs/dbraw/zinc/51/88/73/437518873.db2.gz GRKXJKFXMPCNRZ-NSHDSACASA-N 0 3 331.394 0.745 20 5 ECBDHN Cc1c(CNC(=O)C(=O)NCCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000343280960 437546092 /nfs/dbraw/zinc/54/60/92/437546092.db2.gz APAWOAVWMMHZCA-UHFFFAOYSA-N 0 3 334.376 0.730 20 5 ECBDHN CN(C)CCN(CCOCCO)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000354467756 437624554 /nfs/dbraw/zinc/62/45/54/437624554.db2.gz ZYVFGSKKJATUCL-UHFFFAOYSA-N 0 3 340.380 0.999 20 5 ECBDHN COCCCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCN(C)CC1 ZINC000291164663 437566979 /nfs/dbraw/zinc/56/69/79/437566979.db2.gz KRQUMOHHOZEDDO-UHFFFAOYSA-N 0 3 339.396 0.751 20 5 ECBDHN CSC1(CNC(=O)c2cc([N+](=O)[O-])nn2C)CCN(C)CC1 ZINC000355443850 437705882 /nfs/dbraw/zinc/70/58/82/437705882.db2.gz OCXJVMAZDLMUIP-UHFFFAOYSA-N 0 3 327.410 0.886 20 5 ECBDHN O=C1C[C@]2(CN1)CCCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000362409343 437736599 /nfs/dbraw/zinc/73/65/99/437736599.db2.gz FYWQPLYWTBVBOI-PBHICJAKSA-N 0 3 349.387 0.937 20 5 ECBDHN COCCNCCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415543484 437818127 /nfs/dbraw/zinc/81/81/27/437818127.db2.gz DEGAELSGLTYRKM-UHFFFAOYSA-N 0 3 338.364 0.502 20 5 ECBDHN COc1cc(C(=O)NC[C@]2(O)CCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000358044382 438128725 /nfs/dbraw/zinc/12/87/25/438128725.db2.gz ICYWBBDTMZFOBV-OAHLLOKOSA-N 0 3 339.348 0.408 20 5 ECBDHN Cc1c(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000358095734 438151809 /nfs/dbraw/zinc/15/18/09/438151809.db2.gz QOKQZAKRDFEKJV-OAHLLOKOSA-N 0 3 336.348 0.025 20 5 ECBDHN O=C(CNc1ncc([N+](=O)[O-])s1)NCCN1CCCCCC1 ZINC000431498726 438162761 /nfs/dbraw/zinc/16/27/61/438162761.db2.gz YFBSEQCLQVSHRN-UHFFFAOYSA-N 0 3 327.410 1.455 20 5 ECBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1C1CCN(C)CC1 ZINC000374256730 438199582 /nfs/dbraw/zinc/19/95/82/438199582.db2.gz XFBBVAXJIYSVRC-NSHDSACASA-N 0 3 335.412 0.572 20 5 ECBDHN C[C@H]1CN(CCCNC(=O)c2c([N+](=O)[O-])cnn2C)CCCO1 ZINC000432549272 438204074 /nfs/dbraw/zinc/20/40/74/438204074.db2.gz IVNVCIKLFSLWOL-NSHDSACASA-N 0 3 325.369 0.559 20 5 ECBDHN C[C@H]1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1CN ZINC000419047156 438303960 /nfs/dbraw/zinc/30/39/60/438303960.db2.gz ZRMXOJDAGIOWLK-SWLSCSKDSA-N 0 3 348.403 0.839 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000378310689 438374747 /nfs/dbraw/zinc/37/47/47/438374747.db2.gz GPDNCJZEJPCIOA-AWEZNQCLSA-N 0 3 334.376 0.610 20 5 ECBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000378314703 438375183 /nfs/dbraw/zinc/37/51/83/438375183.db2.gz LDJZKJYBCUGFER-UTUOFQBUSA-N 0 3 337.380 0.937 20 5 ECBDHN C[C@@H](CO)N1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000368971247 438405974 /nfs/dbraw/zinc/40/59/74/438405974.db2.gz BAPXICPCKGDLRG-ZDUSSCGKSA-N 0 3 336.392 0.922 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CNCCO2)c1 ZINC000420479394 438410625 /nfs/dbraw/zinc/41/06/25/438410625.db2.gz MVMRYLDZXUWAMC-NSHDSACASA-N 0 3 329.378 0.478 20 5 ECBDHN NS(=O)(=O)c1cccc(N[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000352390703 438417216 /nfs/dbraw/zinc/41/72/16/438417216.db2.gz GMZNZXPMVOBWFT-VIFPVBQESA-N 0 3 326.378 0.891 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000359705096 438481741 /nfs/dbraw/zinc/48/17/41/438481741.db2.gz HRZJWZBAGQZFFJ-DZGCQCFKSA-N 0 3 340.380 0.422 20 5 ECBDHN CNC(=O)[C@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000420981092 438455792 /nfs/dbraw/zinc/45/57/92/438455792.db2.gz VOKZNHOMSROTSD-NSHDSACASA-N 0 3 348.359 0.961 20 5 ECBDHN C[C@@]1(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)NC(=O)NC1=O ZINC000437873313 438457298 /nfs/dbraw/zinc/45/72/98/438457298.db2.gz QRQWHLBAGFQFCA-AWEZNQCLSA-N 0 3 336.352 0.101 20 5 ECBDHN CN(C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000359798889 438499316 /nfs/dbraw/zinc/49/93/16/438499316.db2.gz RTIJXFSDFQTUQY-UHFFFAOYSA-N 0 3 337.380 0.755 20 5 ECBDHN C[C@@H](O)CN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000186819087 533697121 /nfs/dbraw/zinc/69/71/21/533697121.db2.gz IKFGJIGKWYTBDO-SNVBAGLBSA-N 0 3 333.348 0.610 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000493545518 438633528 /nfs/dbraw/zinc/63/35/28/438633528.db2.gz CSVVNMRORIHBNW-CRHJNNSXSA-N 0 3 330.344 0.378 20 5 ECBDHN CNc1nc(C(=O)NC[C@@H]2CCCN2CCOC)ccc1[N+](=O)[O-] ZINC000455457630 438746568 /nfs/dbraw/zinc/74/65/68/438746568.db2.gz FTISWAAGWYUHIF-NSHDSACASA-N 0 3 337.380 0.872 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000588866686 438846784 /nfs/dbraw/zinc/84/67/84/438846784.db2.gz PORSAPCGROCYKH-ZDUSSCGKSA-N 0 3 336.392 0.847 20 5 ECBDHN CC(C)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F ZINC000578470167 438926477 /nfs/dbraw/zinc/92/64/77/438926477.db2.gz RHRBONGBTZTPCM-VWYCJHECSA-N 0 3 340.302 0.690 20 5 ECBDHN CCN1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)CC1 ZINC000596122127 438929084 /nfs/dbraw/zinc/92/90/84/438929084.db2.gz JMOSCLCVRQZVNL-AWEZNQCLSA-N 0 3 347.419 0.910 20 5 ECBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516938130 438939479 /nfs/dbraw/zinc/93/94/79/438939479.db2.gz JVQQUCUWKKVCEJ-YPMHNXCESA-N 0 3 332.360 0.596 20 5 ECBDHN CN(C)C[C@@H](CO)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000596244991 438946223 /nfs/dbraw/zinc/94/62/23/438946223.db2.gz UDKQGKKSARYIEF-JTQLQIEISA-N 0 3 346.409 0.180 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2COc3ccc(F)cc3C2)c1 ZINC000519594580 439042267 /nfs/dbraw/zinc/04/22/67/439042267.db2.gz HEKLGFHBJIKHNS-JSGCOSHPSA-N 0 3 336.323 0.885 20 5 ECBDHN CNc1ccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000519700407 439056212 /nfs/dbraw/zinc/05/62/12/439056212.db2.gz FHUMCLDREPMPBG-SNVBAGLBSA-N 0 3 337.380 0.433 20 5 ECBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000519000590 439019357 /nfs/dbraw/zinc/01/93/57/439019357.db2.gz FUYLJFSWYTXGFO-LERXQTSPSA-N 0 3 347.375 0.166 20 5 ECBDHN CN(C)CCNC(=O)C1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602450277 439089171 /nfs/dbraw/zinc/08/91/71/439089171.db2.gz KIWCLUMJZRURAI-UHFFFAOYSA-N 0 3 338.412 0.218 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCN2C1=O ZINC000566573015 439074382 /nfs/dbraw/zinc/07/43/82/439074382.db2.gz UWYFDLYJUOVARJ-NWDGAFQWSA-N 0 3 344.327 0.725 20 5 ECBDHN C[S@](=O)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591749932 439079491 /nfs/dbraw/zinc/07/94/91/439079491.db2.gz PFWCWCKRGSZMSK-ZLOXQWCVSA-N 0 3 338.389 0.679 20 5 ECBDHN O=C1C[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000581126443 439171554 /nfs/dbraw/zinc/17/15/54/439171554.db2.gz LVBVIGILGVEBTL-RISCZKNCSA-N 0 3 335.360 0.687 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000591983049 439126225 /nfs/dbraw/zinc/12/62/25/439126225.db2.gz WCIOURATEFLNEE-SECBINFHSA-N 0 3 338.393 0.860 20 5 ECBDHN COc1cc(C(=O)N2CC(CN3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000597693854 439161392 /nfs/dbraw/zinc/16/13/92/439161392.db2.gz GANBGCFLBFGHSZ-UHFFFAOYSA-N 0 3 348.403 0.923 20 5 ECBDHN COC(=O)[C@H]1CNCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592493054 439240660 /nfs/dbraw/zinc/24/06/60/439240660.db2.gz VIOKAEUSBGJWMU-CYBMUJFWSA-N 0 3 336.348 0.031 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000581694255 439242655 /nfs/dbraw/zinc/24/26/55/439242655.db2.gz KACURWAQPPTGNE-GJZGRUSLSA-N 0 3 336.392 0.920 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1C ZINC000568870059 439284229 /nfs/dbraw/zinc/28/42/29/439284229.db2.gz KTIXXMXNCAXQCH-GFCCVEGCSA-N 0 3 342.421 0.475 20 5 ECBDHN O=C(NC[C@@H]1CNCCO1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592567091 439256870 /nfs/dbraw/zinc/25/68/70/439256870.db2.gz RJWBGSMPQQMEEY-AWEZNQCLSA-N 0 3 348.403 0.916 20 5 ECBDHN COC[C@@H]1C[C@@H](O)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593064856 439335028 /nfs/dbraw/zinc/33/50/28/439335028.db2.gz STSSMLYGZWSPLB-XQQFMLRXSA-N 0 3 326.349 0.416 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000592882393 439297374 /nfs/dbraw/zinc/29/73/74/439297374.db2.gz XDPXYYIOGTUGIA-LBPRGKRZSA-N 0 3 334.376 0.716 20 5 ECBDHN C[C@@H](C(=O)N1CCN(CCN(C)C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000593235861 439355972 /nfs/dbraw/zinc/35/59/72/439355972.db2.gz XSEAXYZRMKYRSC-CYBMUJFWSA-N 0 3 348.403 0.931 20 5 ECBDHN Cc1cc(OCC(=O)NC[C@]2(O)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000569865795 439370231 /nfs/dbraw/zinc/37/02/31/439370231.db2.gz RXQUTHRKJHJXTN-KRWDZBQOSA-N 0 3 349.387 0.855 20 5 ECBDHN CCN1CCC[C@@H](C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599229511 439389384 /nfs/dbraw/zinc/38/93/84/439389384.db2.gz QGOSLQZYIMDFGY-JTQLQIEISA-N 0 3 331.398 0.339 20 5 ECBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599244984 439397246 /nfs/dbraw/zinc/39/72/46/439397246.db2.gz OUXZDVAZBRIHNS-QWRGUYRKSA-N 0 3 345.425 0.679 20 5 ECBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593542057 439398966 /nfs/dbraw/zinc/39/89/66/439398966.db2.gz DKEACNOJSPWGON-UHFFFAOYSA-N 0 3 328.394 0.952 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000583511171 439474766 /nfs/dbraw/zinc/47/47/66/439474766.db2.gz RZFVBTOAMOHLOP-BXKDBHETSA-N 0 3 338.751 0.632 20 5 ECBDHN COc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000571342500 439495827 /nfs/dbraw/zinc/49/58/27/439495827.db2.gz GQAZFJIXGSWOFS-RYUDHWBXSA-N 0 3 327.312 0.489 20 5 ECBDHN CN1CCN(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1(C)C ZINC000594355840 439545485 /nfs/dbraw/zinc/54/54/85/439545485.db2.gz YNOXWWUAUNIQCW-UHFFFAOYSA-N 0 3 336.396 0.328 20 5 ECBDHN COCCN1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000609269144 439561066 /nfs/dbraw/zinc/56/10/66/439561066.db2.gz MAOAANMXKXMLRC-GFCCVEGCSA-N 0 3 325.369 0.408 20 5 ECBDHN NC[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(F)(F)F ZINC000594450719 439561944 /nfs/dbraw/zinc/56/19/44/439561944.db2.gz VFHIRLLYSRGFMT-SNVBAGLBSA-N 0 3 344.253 0.795 20 5 ECBDHN N[C@@H]1C[C@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000594736411 439599635 /nfs/dbraw/zinc/59/96/35/439599635.db2.gz GBBXLHGQZSOBRF-NWDGAFQWSA-N 0 3 348.359 0.110 20 5 ECBDHN COC[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000595111811 439653886 /nfs/dbraw/zinc/65/38/86/439653886.db2.gz PSQSKJIWZHIIGG-LBPRGKRZSA-N 0 3 330.366 0.037 20 5 ECBDHN CCc1nn(C)c(CC)c1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574393314 439702107 /nfs/dbraw/zinc/70/21/07/439702107.db2.gz UATGCTNRQAIRHL-GFCCVEGCSA-N 0 3 336.396 0.800 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000611185091 439677522 /nfs/dbraw/zinc/67/75/22/439677522.db2.gz UVUYQIQWXMAGOK-LSDHHAIUSA-N 0 3 336.392 0.288 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000595254019 439683940 /nfs/dbraw/zinc/68/39/40/439683940.db2.gz ZLQPQWKCFWVSAW-UHFFFAOYSA-N 0 3 348.359 0.882 20 5 ECBDHN CC(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)NCCN(C)C ZINC000340412533 321041910 /nfs/dbraw/zinc/04/19/10/321041910.db2.gz MEKCMAVAMKXFJM-GFCCVEGCSA-N 0 3 339.396 0.745 20 5 ECBDHN CN(C)CCOc1cnccc1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000356464196 321532255 /nfs/dbraw/zinc/53/22/55/321532255.db2.gz XWDLFOYZEKYMEK-UHFFFAOYSA-N 0 3 348.363 0.594 20 5 ECBDHN COc1ccc(CC(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000532789952 322061283 /nfs/dbraw/zinc/06/12/83/322061283.db2.gz WOKMMMZXBZLDOL-HNNXBMFYSA-N 0 3 325.365 0.575 20 5 ECBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@@H]1C ZINC000567690461 322592951 /nfs/dbraw/zinc/59/29/51/322592951.db2.gz BRGHSGXCNFSQPV-OBJOEFQTSA-N 0 3 339.396 0.531 20 5 ECBDHN COc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000571418200 322721138 /nfs/dbraw/zinc/72/11/38/322721138.db2.gz XNFIFXZYRGTLMK-RYUDHWBXSA-N 0 3 339.348 0.359 20 5 ECBDHN Cc1c(NC(=O)[C@H](C)N2C[C@H](O)[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000577189238 518186162 /nfs/dbraw/zinc/18/61/62/518186162.db2.gz WKPZREUHUYZRBR-CQDKDKBSSA-N 0 3 336.392 0.837 20 5 ECBDHN CCN1CCN(CCNC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000264957263 535703254 /nfs/dbraw/zinc/70/32/54/535703254.db2.gz YYFMNPDYQKHLBZ-UHFFFAOYSA-N 0 3 336.392 0.971 20 5 ECBDHN CN(C)C[C@@H](O)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000732566897 578327565 /nfs/dbraw/zinc/32/75/65/578327565.db2.gz YCZSXLYOWNRAGN-LBPRGKRZSA-N 0 3 347.375 0.894 20 5 ECBDHN CNC(=O)C1(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000733998960 578351451 /nfs/dbraw/zinc/35/14/51/578351451.db2.gz IJOKIOHKHIIZHB-ZDUSSCGKSA-N 0 3 337.376 0.983 20 5 ECBDHN CN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786764114 578792853 /nfs/dbraw/zinc/79/28/53/578792853.db2.gz QIOLWNOGBHWVPD-UHFFFAOYSA-N 0 3 335.408 0.934 20 5 ECBDHN Cc1c(C(=O)NC[C@]2(O)CCN(C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000762718071 579546841 /nfs/dbraw/zinc/54/68/41/579546841.db2.gz NTLRZKFTDYCPPO-CQSZACIVSA-N 0 3 338.320 0.608 20 5 ECBDHN CN(C)CCN(C)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000895988676 586216717 /nfs/dbraw/zinc/21/67/17/586216717.db2.gz FMRRHCKAXSUBFS-UHFFFAOYSA-N 0 3 332.364 0.868 20 5 ECBDHN CC(COC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)[N+](=O)[O-] ZINC000813109515 587248377 /nfs/dbraw/zinc/24/83/77/587248377.db2.gz KIQISXCAQOMEOZ-VIFPVBQESA-N 0 3 328.346 0.831 20 5 ECBDHN CC(COC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)[N+](=O)[O-] ZINC000813109017 587248514 /nfs/dbraw/zinc/24/85/14/587248514.db2.gz DKDHKRWGGGNIGM-SECBINFHSA-N 0 3 328.346 0.949 20 5 ECBDHN CC(COC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O)[N+](=O)[O-] ZINC000813115654 587248846 /nfs/dbraw/zinc/24/88/46/587248846.db2.gz XCZLQGBLLFVNPZ-GMTAPVOTSA-N 0 3 341.364 0.942 20 5 ECBDHN O=C(CCOC1CNC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818476161 587431587 /nfs/dbraw/zinc/43/15/87/587431587.db2.gz HIUIOZSIYFQABK-UHFFFAOYSA-N 0 3 334.376 0.622 20 5 ECBDHN CCN(CC)C(=O)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000818975408 587462818 /nfs/dbraw/zinc/46/28/18/587462818.db2.gz NVBLQFFZRHHIRB-GFCCVEGCSA-N 0 3 325.365 0.793 20 5 ECBDHN CS(=O)(=O)CCOCCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819104159 587468678 /nfs/dbraw/zinc/46/86/78/587468678.db2.gz IFELGJGXMZCQSV-ZDUSSCGKSA-N 0 3 332.378 0.279 20 5 ECBDHN CS(=O)(=O)CCOCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819106739 587468882 /nfs/dbraw/zinc/46/88/82/587468882.db2.gz YETVLLJYKRUPCL-CYBMUJFWSA-N 0 3 332.378 0.279 20 5 ECBDHN CN1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000844226113 589103968 /nfs/dbraw/zinc/10/39/68/589103968.db2.gz COLDEOQXSCCENZ-JTQLQIEISA-N 0 3 348.812 0.512 20 5 ECBDHN Cc1cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc([N+](=O)[O-])c1F ZINC000844227026 589104443 /nfs/dbraw/zinc/10/44/43/589104443.db2.gz QIYANZHYMWVUET-SNVBAGLBSA-N 0 3 346.384 0.306 20 5 ECBDHN CN(C)CCN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000844760777 589119760 /nfs/dbraw/zinc/11/97/60/589119760.db2.gz VEXAGEWKCVWKFL-VMPITWQZSA-N 0 3 346.387 0.840 20 5 ECBDHN NC[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000848439061 589294089 /nfs/dbraw/zinc/29/40/89/589294089.db2.gz NTIALNDLXDYSED-SNVBAGLBSA-N 0 3 331.254 0.950 20 5 ECBDHN CC(COC(=O)c1c(Br)nc2n1CCOC2)[N+](=O)[O-] ZINC000857028265 589684043 /nfs/dbraw/zinc/68/40/43/589684043.db2.gz BBSHXFQIPVQCRN-LURJTMIESA-N 0 3 334.126 0.998 20 5 ECBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000868343991 589894152 /nfs/dbraw/zinc/89/41/52/589894152.db2.gz MRCBWAWTHIPRRJ-CHWSQXEVSA-N 0 3 337.351 0.944 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865900014 590161437 /nfs/dbraw/zinc/16/14/37/590161437.db2.gz DBLHALUFMPANLC-SNVBAGLBSA-N 0 3 340.355 0.782 20 5 ECBDHN CN1CCNC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911973645 609925435 /nfs/dbraw/zinc/92/54/35/609925435.db2.gz NJVAEHPNIKOFMX-HNNXBMFYSA-N 0 3 333.392 0.147 20 5 ECBDHN O=C(CCc1c[nH]cn1)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000947124383 611785695 /nfs/dbraw/zinc/78/56/95/611785695.db2.gz KVBKGXQYQOIINL-CHWSQXEVSA-N 0 3 335.364 0.115 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cc(C2CC2)n[nH]1 ZINC001167248712 733094158 /nfs/dbraw/zinc/09/41/58/733094158.db2.gz CTHHPXUXXLZWCI-UHFFFAOYSA-N 0 3 347.379 0.839 20 5 ECBDHN CCc1noc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997776900 743805156 /nfs/dbraw/zinc/80/51/56/743805156.db2.gz PDIVCZWIIHHBBL-VXGBXAGGSA-N 0 3 337.380 0.625 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2cocn2)CC1 ZINC000990243129 754891557 /nfs/dbraw/zinc/89/15/57/754891557.db2.gz ASVASVUITJBINA-UHFFFAOYSA-N 0 3 334.336 0.711 20 5 ECBDHN O=C(NCCNCc1ccn(CC(F)(F)F)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936940 756767553 /nfs/dbraw/zinc/76/75/53/756767553.db2.gz XTCYOGSSQUPEDV-NXEZZACHSA-N 0 3 335.286 0.316 20 5 ECBDHN O=C(CN1CCCC1)NC/C=C\CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001107201532 757546875 /nfs/dbraw/zinc/54/68/75/757546875.db2.gz SXMOGICISZAGAG-UPHRSURJSA-N 0 3 335.364 0.876 20 5 ECBDHN CC(C)N(C)CC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107234327 757978180 /nfs/dbraw/zinc/97/81/80/757978180.db2.gz YRKQJXGAMTTXDU-SNAWJCMRSA-N 0 3 337.384 0.392 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2cncnc2)CC1 ZINC000991513522 761303748 /nfs/dbraw/zinc/30/37/48/761303748.db2.gz UKQABQXTVXWMDA-UHFFFAOYSA-N 0 3 345.363 0.513 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)C2=CCOCC2)CC1 ZINC000991547337 761507253 /nfs/dbraw/zinc/50/72/53/761507253.db2.gz IPJYSVXYNNAWTL-UHFFFAOYSA-N 0 3 349.391 0.756 20 5 ECBDHN CC(C)(C)C(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055642355 769329209 /nfs/dbraw/zinc/32/92/09/769329209.db2.gz XILCQUCATAKIIM-CHWSQXEVSA-N 0 3 340.424 0.395 20 5 ECBDHN COc1ccc(CN2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001045436731 775610053 /nfs/dbraw/zinc/61/00/53/775610053.db2.gz VQFNZRSDGKCAHK-CHWSQXEVSA-N 0 3 349.391 0.621 20 5 ECBDHN CCN1CC[C@@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)[C@H]2C1 ZINC000355345237 299241355 /nfs/dbraw/zinc/24/13/55/299241355.db2.gz MZWPJADGNPZICV-STQMWFEESA-N 0 3 337.380 0.421 20 5 ECBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420054986 209292584 /nfs/dbraw/zinc/29/25/84/209292584.db2.gz GCVOWPZOONWQBJ-AWEZNQCLSA-N 0 3 334.376 0.449 20 5 ECBDHN Nc1c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc(F)cc1[N+](=O)[O-] ZINC000326910463 201077693 /nfs/dbraw/zinc/07/76/93/201077693.db2.gz NVNYQKQDPGLIOF-MNOVXSKESA-N 0 3 338.339 0.909 20 5 ECBDHN Nc1c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc(F)cc1[N+](=O)[O-] ZINC000326910460 201077798 /nfs/dbraw/zinc/07/77/98/201077798.db2.gz NVNYQKQDPGLIOF-GHMZBOCLSA-N 0 3 338.339 0.909 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237323959 201149947 /nfs/dbraw/zinc/14/99/47/201149947.db2.gz QRUCMKCYFFAZIW-SNVBAGLBSA-N 0 3 329.378 0.881 20 5 ECBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCNCCOC ZINC000193362471 240132271 /nfs/dbraw/zinc/13/22/71/240132271.db2.gz AMTOXRPILHIWNF-UHFFFAOYSA-N 0 3 331.394 0.672 20 5 ECBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000363681915 204022323 /nfs/dbraw/zinc/02/23/23/204022323.db2.gz GTUSOWDVWYPSDU-UONOGXRCSA-N 0 3 348.359 0.513 20 5 ECBDHN CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2CN)cc([N+](=O)[O-])c1 ZINC000160384735 206294641 /nfs/dbraw/zinc/29/46/41/206294641.db2.gz QSBMEHAKNTZXBM-JTQLQIEISA-N 0 3 327.362 0.562 20 5 ECBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450683981 211337700 /nfs/dbraw/zinc/33/77/00/211337700.db2.gz RAYBYQLQSICAKQ-UHFFFAOYSA-N 0 3 347.375 0.825 20 5 ECBDHN Cc1cc(NC[C@@H](O)Cn2ccnn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000413445789 208328695 /nfs/dbraw/zinc/32/86/95/208328695.db2.gz XRYMNANOCBUVBN-GFCCVEGCSA-N 0 3 328.332 0.938 20 5 ECBDHN Cc1ccc(NCCCNC(=O)C(=O)N(C)CCN)c([N+](=O)[O-])c1 ZINC000419456802 209099532 /nfs/dbraw/zinc/09/95/32/209099532.db2.gz UNNPDZOCSVWNCC-UHFFFAOYSA-N 0 3 337.380 0.239 20 5 ECBDHN CN(C)CCN(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000358543848 299734238 /nfs/dbraw/zinc/73/42/38/299734238.db2.gz TVHHQIRTKGBWDD-UHFFFAOYSA-N 0 3 336.348 0.340 20 5 ECBDHN Cn1c(C(=O)Nc2ccc(N3CCNCC3)cn2)ccc1[N+](=O)[O-] ZINC000261665757 165222652 /nfs/dbraw/zinc/22/26/52/165222652.db2.gz LDKPCJAJCSWSBJ-UHFFFAOYSA-N 0 3 330.348 0.990 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@@H]1CC[NH2+]C1 ZINC000261858054 165253968 /nfs/dbraw/zinc/25/39/68/165253968.db2.gz FKFNBZBYNNUDDL-JTQLQIEISA-N 0 3 329.378 0.881 20 5 ECBDHN COCCNCCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000262293133 165323474 /nfs/dbraw/zinc/32/34/74/165323474.db2.gz NLGDWEHNDKWGNX-UHFFFAOYSA-N 0 3 333.366 0.118 20 5 ECBDHN COC[C@]1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262430967 165348380 /nfs/dbraw/zinc/34/83/80/165348380.db2.gz FWLQTXYNYLCRMH-CYBMUJFWSA-N 0 3 329.378 0.642 20 5 ECBDHN CC(C)(N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262436808 165349969 /nfs/dbraw/zinc/34/99/69/165349969.db2.gz LSOLDMZAIKLCFS-UHFFFAOYSA-N 0 3 344.393 0.264 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000194814234 263169191 /nfs/dbraw/zinc/16/91/91/263169191.db2.gz KKMRKUARALCBHT-UHFFFAOYSA-N 0 3 334.376 0.843 20 5 ECBDHN CC(C)NS(=O)(=O)NCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285065305 264274122 /nfs/dbraw/zinc/27/41/22/264274122.db2.gz JBMSLGWMJHXIRR-JTQLQIEISA-N 0 3 345.425 0.660 20 5 ECBDHN CN1CC[C@H]2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375048373 277178330 /nfs/dbraw/zinc/17/83/30/277178330.db2.gz HXXFGTPKUYDGRI-HZMBPMFUSA-N 0 3 340.405 0.773 20 5 ECBDHN C[C@H]1CN(CC(C)(C)O)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000189451681 437599393 /nfs/dbraw/zinc/59/93/93/437599393.db2.gz PCYJVNJWUJCAAN-ZDUSSCGKSA-N 0 3 338.408 0.534 20 5 ECBDHN CC1(C)CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCN1 ZINC000332279988 297025594 /nfs/dbraw/zinc/02/55/94/297025594.db2.gz BIOJFFPOGMNJIM-UHFFFAOYSA-N 0 3 348.359 0.531 20 5 ECBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1N(C)C ZINC000330817378 437623140 /nfs/dbraw/zinc/62/31/40/437623140.db2.gz CENDEBDJCKUSDN-QWRGUYRKSA-N 0 3 325.394 0.690 20 5 ECBDHN O=C1CCCN1[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075738404 436173725 /nfs/dbraw/zinc/17/37/25/436173725.db2.gz ZEEXBQRKNGLGSG-JSGCOSHPSA-N 0 3 337.380 0.239 20 5 ECBDHN CC(C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000076168563 436192685 /nfs/dbraw/zinc/19/26/85/436192685.db2.gz IKKSQGANLYFDOG-NSHDSACASA-N 0 3 341.389 0.677 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(C)CC1 ZINC000078473137 436269495 /nfs/dbraw/zinc/26/94/95/436269495.db2.gz LGXYIGIJIHLZED-NSHDSACASA-N 0 3 334.376 0.924 20 5 ECBDHN CN(C)[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000516192035 301660220 /nfs/dbraw/zinc/66/02/20/301660220.db2.gz POIIPKXRMOUBNP-GJZGRUSLSA-N 0 3 334.376 0.091 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1CN1CCOCC1 ZINC000090550906 436433013 /nfs/dbraw/zinc/43/30/13/436433013.db2.gz RSXZTALDGVBCGF-CQSZACIVSA-N 0 3 336.392 0.553 20 5 ECBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NCC1CCN(c2ccncc2)CC1 ZINC000090144831 436428523 /nfs/dbraw/zinc/42/85/23/436428523.db2.gz OQQKEAQZGKXAAU-UHFFFAOYSA-N 0 3 345.363 0.614 20 5 ECBDHN C[C@@H]1CN(CCN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000195311100 436688104 /nfs/dbraw/zinc/68/81/04/436688104.db2.gz FCYLWOCKOWEGMG-VNHYZAJKSA-N 0 3 341.412 0.193 20 5 ECBDHN COCCNCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000152281402 436724664 /nfs/dbraw/zinc/72/46/64/436724664.db2.gz YTNCNLRXAMXJNZ-UHFFFAOYSA-N 0 3 333.348 0.746 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)cc1C ZINC000237666711 436740721 /nfs/dbraw/zinc/74/07/21/436740721.db2.gz KAOIBYLKLUNWPH-UHFFFAOYSA-N 0 3 342.421 0.395 20 5 ECBDHN COCCN1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000069502463 436778036 /nfs/dbraw/zinc/77/80/36/436778036.db2.gz VCQLXXDUNPNMAL-GFCCVEGCSA-N 0 3 325.369 0.327 20 5 ECBDHN CN(C)CCn1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000125947729 436779881 /nfs/dbraw/zinc/77/98/81/436779881.db2.gz KMORCFCDESJUFQ-UHFFFAOYSA-N 0 3 336.356 0.371 20 5 ECBDHN CCCNC(=O)[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247352821 436793187 /nfs/dbraw/zinc/79/31/87/436793187.db2.gz GVEBHSPSVGEKNH-GXTWGEPZSA-N 0 3 339.396 0.390 20 5 ECBDHN CCN1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)[C@H]2C1 ZINC000293902895 436918918 /nfs/dbraw/zinc/91/89/18/436918918.db2.gz MZWPJADGNPZICV-QWHCGFSZSA-N 0 3 337.380 0.421 20 5 ECBDHN O=C(NCC(F)(F)F)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000275132111 436927555 /nfs/dbraw/zinc/92/75/55/436927555.db2.gz RZTHNOXGWUOVRU-VIFPVBQESA-N 0 3 335.286 0.792 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000280935532 436934810 /nfs/dbraw/zinc/93/48/10/436934810.db2.gz HLJYWYCVPBJXAD-JKSUJKDBSA-N 0 3 347.375 0.838 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170860902 436957247 /nfs/dbraw/zinc/95/72/47/436957247.db2.gz ZYTPQHLBOKIRRC-SMDDNHRTSA-N 0 3 334.376 0.876 20 5 ECBDHN Cn1ccnc1[C@H]1CNCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000261679978 303010003 /nfs/dbraw/zinc/01/00/03/303010003.db2.gz DBDPTDQHYPIKCW-CQSZACIVSA-N 0 3 344.375 0.574 20 5 ECBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000332013868 437194423 /nfs/dbraw/zinc/19/44/23/437194423.db2.gz YMQHPOIQJKWSOG-GFCCVEGCSA-N 0 3 330.348 0.706 20 5 ECBDHN CCCc1n[nH]c(C(=O)NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265639512 437166483 /nfs/dbraw/zinc/16/64/83/437166483.db2.gz LLSIFYFWCYUBKO-UHFFFAOYSA-N 0 3 338.412 0.638 20 5 ECBDHN O=C1C[C@@]2(CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278858123 437350582 /nfs/dbraw/zinc/35/05/82/437350582.db2.gz KYUYBUJNUOAWDR-CJNGLKHVSA-N 0 3 335.360 0.547 20 5 ECBDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184732936 437411523 /nfs/dbraw/zinc/41/15/23/437411523.db2.gz ONNMPHZPQGUAIT-CYBMUJFWSA-N 0 3 331.394 0.327 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(Cn2cncn2)CC1 ZINC000186238591 437466740 /nfs/dbraw/zinc/46/67/40/437466740.db2.gz LGAGZPRSMFFJEO-UHFFFAOYSA-N 0 3 332.364 0.760 20 5 ECBDHN CCn1cc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)c([N+](=O)[O-])n1 ZINC000330455989 437518096 /nfs/dbraw/zinc/51/80/96/437518096.db2.gz OQZAKESSIROMCO-SNVBAGLBSA-N 0 3 331.398 0.383 20 5 ECBDHN CS[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000290941559 437544190 /nfs/dbraw/zinc/54/41/90/437544190.db2.gz LLXQMMUBYLUVFX-UWVGGRQHSA-N 0 3 325.394 0.571 20 5 ECBDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000330612984 437568530 /nfs/dbraw/zinc/56/85/30/437568530.db2.gz RNBJSCNFXYDLBS-NWDGAFQWSA-N 0 3 331.398 0.241 20 5 ECBDHN C[C@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)C[C@H](C)O1 ZINC000360734838 437640575 /nfs/dbraw/zinc/64/05/75/437640575.db2.gz FKAGKFLZGRBTHW-RYUDHWBXSA-N 0 3 339.396 0.948 20 5 ECBDHN CN1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C2)C1 ZINC000292419315 437690603 /nfs/dbraw/zinc/69/06/03/437690603.db2.gz WJCZBOKUTLZNBI-CQSZACIVSA-N 0 3 340.405 0.774 20 5 ECBDHN CN1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C2)C1 ZINC000292419312 437691286 /nfs/dbraw/zinc/69/12/86/437691286.db2.gz WJCZBOKUTLZNBI-AWEZNQCLSA-N 0 3 340.405 0.774 20 5 ECBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCCNCC1 ZINC000423615095 437779643 /nfs/dbraw/zinc/77/96/43/437779643.db2.gz UAVFEIZXJYOYGA-UHFFFAOYSA-N 0 3 334.376 0.418 20 5 ECBDHN CN(C)CCN1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000363487229 437795983 /nfs/dbraw/zinc/79/59/83/437795983.db2.gz XGXWYSGEAWTQJF-UHFFFAOYSA-N 0 3 335.408 0.887 20 5 ECBDHN O=C(NC[C@@H]1CNCCO1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000423996337 437872158 /nfs/dbraw/zinc/87/21/58/437872158.db2.gz WNRWCQNCJSGUCU-ZDUSSCGKSA-N 0 3 331.332 0.499 20 5 ECBDHN O=C(NC[C@@H]1CNCCO1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000423992653 437873988 /nfs/dbraw/zinc/87/39/88/437873988.db2.gz PEMJFFLFSBNFNY-LBPRGKRZSA-N 0 3 331.332 0.499 20 5 ECBDHN C[C@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])nn2C)CCCO1 ZINC000347159989 437843696 /nfs/dbraw/zinc/84/36/96/437843696.db2.gz MTTNWUZHELSFIW-NSHDSACASA-N 0 3 325.369 0.559 20 5 ECBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CN2CCN1CCC2 ZINC000371268331 437909400 /nfs/dbraw/zinc/90/94/00/437909400.db2.gz JDTHBSNMEOAOIH-ZDUSSCGKSA-N 0 3 330.348 0.800 20 5 ECBDHN CN1CC[C@@H]2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@H]21 ZINC000371702654 437980783 /nfs/dbraw/zinc/98/07/83/437980783.db2.gz ZCBQZXSVQDCCMG-ZWNOBZJWSA-N 0 3 340.405 0.773 20 5 ECBDHN COC(=O)c1cc(C(=O)NC[C@@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000358058764 438137566 /nfs/dbraw/zinc/13/75/66/438137566.db2.gz QSHPUHGCLIWFKS-HNNXBMFYSA-N 0 3 337.332 0.178 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358068960 438142348 /nfs/dbraw/zinc/14/23/48/438142348.db2.gz RZTVXOPHYDRRLN-AWEZNQCLSA-N 0 3 327.768 0.974 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@]2(CO)CCCc3ccccc32)c1 ZINC000374149544 438188919 /nfs/dbraw/zinc/18/89/19/438188919.db2.gz SYPGZCBOZIVKLX-DOTOQJQBSA-N 0 3 346.387 0.966 20 5 ECBDHN O=c1[nH]c(NC[C@@H]2CN3CCC[C@@H]3CO2)nc2ccc([N+](=O)[O-])cc21 ZINC000367714639 438241084 /nfs/dbraw/zinc/24/10/84/438241084.db2.gz DBOYNLZKGZREHX-VXGBXAGGSA-N 0 3 345.359 1.519 20 5 ECBDHN C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H]1CN ZINC000418923035 438251041 /nfs/dbraw/zinc/25/10/41/438251041.db2.gz LZNJQKBKSLEZKC-IUODEOHRSA-N 0 3 348.403 0.839 20 5 ECBDHN C[C@]1(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)NC(=O)NC1=O ZINC000437875624 438457826 /nfs/dbraw/zinc/45/78/26/438457826.db2.gz WHOZUDHELDUQBV-CQSZACIVSA-N 0 3 336.352 0.101 20 5 ECBDHN O=C1CNC(=O)N1CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440507033 438554290 /nfs/dbraw/zinc/55/42/90/438554290.db2.gz SHRQBJIDTRIONK-LLVKDONJSA-N 0 3 348.363 0.418 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCN1CCO ZINC000452393345 438660487 /nfs/dbraw/zinc/66/04/87/438660487.db2.gz SJCWQDRMDKNJTH-AWEZNQCLSA-N 0 3 337.376 0.937 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCN1CCCO ZINC000452786381 438673576 /nfs/dbraw/zinc/67/35/76/438673576.db2.gz VAUALZCPURNCSL-ZDUSSCGKSA-N 0 3 336.392 0.970 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1CCO ZINC000452387306 438657857 /nfs/dbraw/zinc/65/78/57/438657857.db2.gz GVBDFUDGIPTKJW-CYBMUJFWSA-N 0 3 337.376 0.937 20 5 ECBDHN CNc1nc(C(=O)NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000456028462 438756467 /nfs/dbraw/zinc/75/64/67/438756467.db2.gz ILJAQCWAEFIHRZ-NSHDSACASA-N 0 3 337.380 0.608 20 5 ECBDHN CN(C)[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000555877025 438778961 /nfs/dbraw/zinc/77/89/61/438778961.db2.gz AFQUNVMLHLEGCU-STQMWFEESA-N 0 3 342.783 0.793 20 5 ECBDHN N[C@H]1C[C@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000576600188 438790088 /nfs/dbraw/zinc/79/00/88/438790088.db2.gz UMQUJBVMLLTIRP-STQMWFEESA-N 0 3 347.375 0.091 20 5 ECBDHN COc1cc(C(=O)N[C@@H](CO)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000588864446 438846896 /nfs/dbraw/zinc/84/68/96/438846896.db2.gz JGENKXOHXYRNNB-SECBINFHSA-N 0 3 327.337 0.264 20 5 ECBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000590044076 438898948 /nfs/dbraw/zinc/89/89/48/438898948.db2.gz GNLZRIIGGCAQIT-NHYWBVRUSA-N 0 3 342.359 0.952 20 5 ECBDHN COc1ccc(NC(=O)C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590279226 438905678 /nfs/dbraw/zinc/90/56/78/438905678.db2.gz ANJXTRRGJPZLPF-ZWNOBZJWSA-N 0 3 348.359 0.704 20 5 ECBDHN Cc1c(NC(=O)CCN2CCC(CO)(CO)C2)cccc1[N+](=O)[O-] ZINC000595798772 438863196 /nfs/dbraw/zinc/86/31/96/438863196.db2.gz GMNYELQZKXXMLH-UHFFFAOYSA-N 0 3 337.376 0.909 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595990057 438908128 /nfs/dbraw/zinc/90/81/28/438908128.db2.gz NVDSIXFPWWRBIZ-ZWKOPEQDSA-N 0 3 338.339 0.611 20 5 ECBDHN COc1ccc(NC(=O)CN2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])c1 ZINC000595907465 438885396 /nfs/dbraw/zinc/88/53/96/438885396.db2.gz UZALSRVFAFQGAM-GHMZBOCLSA-N 0 3 326.328 0.913 20 5 ECBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC000595947352 438893623 /nfs/dbraw/zinc/89/36/23/438893623.db2.gz KKLGHUDQORAVOJ-UHFFFAOYSA-N 0 3 346.347 0.668 20 5 ECBDHN CN1C[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590440747 438923708 /nfs/dbraw/zinc/92/37/08/438923708.db2.gz BJPPUDSHGNPIKW-TZMCWYRMSA-N 0 3 332.360 0.487 20 5 ECBDHN CN1C[C@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590447260 438926008 /nfs/dbraw/zinc/92/60/08/438926008.db2.gz WZTCRVGMQRHMHX-DOMZBBRYSA-N 0 3 342.359 0.952 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOC[C@@H]1[C@H]1CCCN1C ZINC000590564013 438932705 /nfs/dbraw/zinc/93/27/05/438932705.db2.gz BSXKNDJKDYPTGY-CHWSQXEVSA-N 0 3 337.380 0.421 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596170141 438937408 /nfs/dbraw/zinc/93/74/08/438937408.db2.gz WZCIHEQCHQKMFB-LBPRGKRZSA-N 0 3 335.364 0.438 20 5 ECBDHN CCCc1[nH]nc(C(=O)[N-]c2nc(N3CC[NH2+]CC3)n[nH]2)c1[N+](=O)[O-] ZINC000566200002 439021806 /nfs/dbraw/zinc/02/18/06/439021806.db2.gz JZGHOFJRVQABRU-UHFFFAOYSA-N 0 3 349.355 0.050 20 5 ECBDHN COc1cc(S(=O)(=O)NCCOCCN(C)C)ccc1[N+](=O)[O-] ZINC000471646501 439090221 /nfs/dbraw/zinc/09/02/21/439090221.db2.gz VRZUQSHRBQQYOK-UHFFFAOYSA-N 0 3 347.393 0.460 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000591902977 439106929 /nfs/dbraw/zinc/10/69/29/439106929.db2.gz GWWRPOJJGAZNQT-GFCCVEGCSA-N 0 3 349.391 0.856 20 5 ECBDHN COc1ccc(NC(=O)CCN[C@@H]2COC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000520226084 439074828 /nfs/dbraw/zinc/07/48/28/439074828.db2.gz YRDPXIKOSNMCCF-TZMCWYRMSA-N 0 3 339.348 0.935 20 5 ECBDHN CN1Cc2ccccc2[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591757255 439082792 /nfs/dbraw/zinc/08/27/92/439082792.db2.gz DYXJARLOVCQUIM-ZBFHGGJFSA-N 0 3 331.376 0.929 20 5 ECBDHN O=C1C[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000581126444 439172317 /nfs/dbraw/zinc/17/23/17/439172317.db2.gz LVBVIGILGVEBTL-SMDDNHRTSA-N 0 3 335.360 0.687 20 5 ECBDHN C[C@H]1CS(=O)(=O)C[C@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580710377 439120617 /nfs/dbraw/zinc/12/06/17/439120617.db2.gz VOMOXGUKAVPJQD-VHRBIJSZSA-N 0 3 344.389 0.357 20 5 ECBDHN CN1CCC[C@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897497 439322777 /nfs/dbraw/zinc/32/27/77/439322777.db2.gz FPSNHMCVPLIPNU-ZDUSSCGKSA-N 0 3 335.364 0.927 20 5 ECBDHN Cc1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)c(C)c1[N+](=O)[O-] ZINC000598608760 439286236 /nfs/dbraw/zinc/28/62/36/439286236.db2.gz VZPXAQCSMSXAMU-AWEZNQCLSA-N 0 3 345.421 0.803 20 5 ECBDHN Cc1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c(C)c1[N+](=O)[O-] ZINC000598608761 439287707 /nfs/dbraw/zinc/28/77/07/439287707.db2.gz VZPXAQCSMSXAMU-CQSZACIVSA-N 0 3 345.421 0.803 20 5 ECBDHN CN(CCN(C)C1CC1)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598619422 439290401 /nfs/dbraw/zinc/29/04/01/439290401.db2.gz RSGWDOODBUOVOQ-UHFFFAOYSA-N 0 3 336.396 0.752 20 5 ECBDHN N[C@H]1C[C@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)CCN2C1=O ZINC000583575998 439483900 /nfs/dbraw/zinc/48/39/00/439483900.db2.gz YWYJFIQRPASGNG-STQMWFEESA-N 0 3 327.344 0.891 20 5 ECBDHN CNc1nccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000594314763 439541292 /nfs/dbraw/zinc/54/12/92/439541292.db2.gz OWKSLGHDQBNVRF-LBPRGKRZSA-N 0 3 349.391 1.015 20 5 ECBDHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594392604 439554566 /nfs/dbraw/zinc/55/45/66/439554566.db2.gz IOSIQBLVOHRTQZ-NWDGAFQWSA-N 0 3 330.344 0.967 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584361931 439583813 /nfs/dbraw/zinc/58/38/13/439583813.db2.gz IARDJSZAVPETCU-VXGBXAGGSA-N 0 3 347.375 0.086 20 5 ECBDHN CN1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000572480981 439587854 /nfs/dbraw/zinc/58/78/54/439587854.db2.gz IZJIDZPTWXLVAV-ZDUSSCGKSA-N 0 3 333.392 0.884 20 5 ECBDHN N[C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)CCN2C1=O ZINC000594694866 439591043 /nfs/dbraw/zinc/59/10/43/439591043.db2.gz WQDMGBTWPDYMSK-MFKMUULPSA-N 0 3 327.344 0.891 20 5 ECBDHN Cn1ncc(C2CCC2)c1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594733310 439598628 /nfs/dbraw/zinc/59/86/28/439598628.db2.gz VFZNWHNXLAQTJT-ZDUSSCGKSA-N 0 3 334.380 0.943 20 5 ECBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594758850 439603302 /nfs/dbraw/zinc/60/33/02/439603302.db2.gz GYUJOINFGJGMDH-UHFFFAOYSA-N 0 3 328.394 0.952 20 5 ECBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000610262213 439606206 /nfs/dbraw/zinc/60/62/06/439606206.db2.gz PPBUORKWKPRFSD-MNOVXSKESA-N 0 3 326.378 0.895 20 5 ECBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000610262213 439606210 /nfs/dbraw/zinc/60/62/10/439606210.db2.gz PPBUORKWKPRFSD-MNOVXSKESA-N 0 3 326.378 0.895 20 5 ECBDHN CN(CCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])CC[NH+](C)C ZINC000594778568 439610120 /nfs/dbraw/zinc/61/01/20/439610120.db2.gz KLRHIFAKJOZBDN-UHFFFAOYSA-N 0 3 345.425 0.152 20 5 ECBDHN CN(C)CC[N@H+](C)CCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778568 439610122 /nfs/dbraw/zinc/61/01/22/439610122.db2.gz KLRHIFAKJOZBDN-UHFFFAOYSA-N 0 3 345.425 0.152 20 5 ECBDHN CN(C)CC[N@@H+](C)CCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778568 439610125 /nfs/dbraw/zinc/61/01/25/439610125.db2.gz KLRHIFAKJOZBDN-UHFFFAOYSA-N 0 3 345.425 0.152 20 5 ECBDHN CNc1nccc(C(=O)NC[C@H]2CCCN2CCOC)c1[N+](=O)[O-] ZINC000573813225 439668571 /nfs/dbraw/zinc/66/85/71/439668571.db2.gz BGXBRKHCJTWPKV-LLVKDONJSA-N 0 3 337.380 0.872 20 5 ECBDHN CN1C(=O)c2ccccc2[C@@H]1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600753405 439699812 /nfs/dbraw/zinc/69/98/12/439699812.db2.gz AWMFOGMWJNXVTP-DOMZBBRYSA-N 0 3 345.359 0.569 20 5 ECBDHN [NH3+]Cc1cc(=O)[n-]c(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000600777697 439700832 /nfs/dbraw/zinc/70/08/32/439700832.db2.gz WCZDDCSETJKLCI-UHFFFAOYSA-N 0 3 347.331 0.610 20 5 ECBDHN CN1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000340378295 321037747 /nfs/dbraw/zinc/03/77/47/321037747.db2.gz QBGXONAKQIUAOM-JSGCOSHPSA-N 0 3 330.348 0.748 20 5 ECBDHN CC(C)NC(=O)CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000555563524 322183693 /nfs/dbraw/zinc/18/36/93/322183693.db2.gz IWSSMWDLFXIRFJ-ZDUSSCGKSA-N 0 3 325.365 0.839 20 5 ECBDHN CC(=O)Nc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000565829059 322480607 /nfs/dbraw/zinc/48/06/07/322480607.db2.gz SDEHZRZNZXDGGQ-CYBMUJFWSA-N 0 3 334.336 0.295 20 5 ECBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@]1(O)CN2CCC1CC2 ZINC000567626847 322590249 /nfs/dbraw/zinc/59/02/49/322590249.db2.gz YWGBANSHTLMTIM-QGZVFWFLSA-N 0 3 349.387 0.937 20 5 ECBDHN CN(C)S(=O)(=O)CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578760478 322874110 /nfs/dbraw/zinc/87/41/10/322874110.db2.gz JCTGPIYVNWUULE-UHFFFAOYSA-N 0 3 344.393 0.404 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc3c(c2)OCCO3)c1 ZINC000579190751 322888718 /nfs/dbraw/zinc/88/87/18/322888718.db2.gz BXBCHSDKFOKABF-CYBMUJFWSA-N 0 3 334.332 0.713 20 5 ECBDHN COCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737006838 578472948 /nfs/dbraw/zinc/47/29/48/578472948.db2.gz JWEHFKHCIZGUHC-VIFPVBQESA-N 0 3 334.340 0.303 20 5 ECBDHN COCC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737006838 578472949 /nfs/dbraw/zinc/47/29/49/578472949.db2.gz JWEHFKHCIZGUHC-VIFPVBQESA-N 0 3 334.340 0.303 20 5 ECBDHN CC(C)N1CCN(CCCOC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000791747402 578892319 /nfs/dbraw/zinc/89/23/19/578892319.db2.gz FTCDQBVFTAFXMQ-UHFFFAOYSA-N 0 3 339.396 0.751 20 5 ECBDHN C[C@H](OC(=O)C1CCN(C)C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000772530703 579209657 /nfs/dbraw/zinc/20/96/57/579209657.db2.gz ZARNFPXWBIHFJN-CABZTGNLSA-N 0 3 335.316 0.943 20 5 ECBDHN C[C@@H](OC(=O)C1CCN(C)C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000772530702 579209676 /nfs/dbraw/zinc/20/96/76/579209676.db2.gz ZARNFPXWBIHFJN-BXKDBHETSA-N 0 3 335.316 0.943 20 5 ECBDHN CNC(=O)c1ccc(N2CCN(C)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000897098685 586285713 /nfs/dbraw/zinc/28/57/13/586285713.db2.gz TYHTYJIUDZETAF-UHFFFAOYSA-N 0 3 335.408 0.638 20 5 ECBDHN COc1cc([C@@H](C)NC[C@@]2(CO)COCCN2C)cc([N+](=O)[O-])c1 ZINC000903224385 586772704 /nfs/dbraw/zinc/77/27/04/586772704.db2.gz VJMUCMIFELDGAL-MLGOLLRUSA-N 0 3 339.392 0.947 20 5 ECBDHN COCCNS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111141 587248637 /nfs/dbraw/zinc/24/86/37/587248637.db2.gz ONDDSIXOGCAELS-SNVBAGLBSA-N 0 3 346.361 0.433 20 5 ECBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(OC)c1OCC(N)=O ZINC000813114403 587248812 /nfs/dbraw/zinc/24/88/12/587248812.db2.gz APLBMADXALFISQ-MRVPVSSYSA-N 0 3 342.304 0.390 20 5 ECBDHN COCCN(CCN(C)C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825722561 587957520 /nfs/dbraw/zinc/95/75/20/587957520.db2.gz WEKXHQVTMVVFMZ-CQSZACIVSA-N 0 3 325.365 0.665 20 5 ECBDHN NC[C@@H]1CC(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)=NO1 ZINC000852871529 589520384 /nfs/dbraw/zinc/52/03/84/589520384.db2.gz QNUSKFFAKGFIQQ-ONGXEEELSA-N 0 3 334.336 0.106 20 5 ECBDHN COCCN(CC1CCN(C)CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000869767727 589978013 /nfs/dbraw/zinc/97/80/13/589978013.db2.gz TWLWVZQQKDWGSB-UHFFFAOYSA-N 0 3 339.396 0.608 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880071449 590366133 /nfs/dbraw/zinc/36/61/33/590366133.db2.gz ACDHQJINYFJKHK-LSDHHAIUSA-N 0 3 348.403 0.983 20 5 ECBDHN C[C@@H]1[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000925316162 611468034 /nfs/dbraw/zinc/46/80/34/611468034.db2.gz XBQFDZWOLIGVQS-TZMCWYRMSA-N 0 3 348.407 0.914 20 5 ECBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916663681 609946196 /nfs/dbraw/zinc/94/61/96/609946196.db2.gz LCKIPDTVEZDSJP-MNOVXSKESA-N 0 3 326.378 0.562 20 5 ECBDHN O=C(Cc1nc[nH]n1)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001022952987 736309554 /nfs/dbraw/zinc/30/95/54/736309554.db2.gz BNHJTIRKLKHXHM-AOOOYVTPSA-N 0 3 336.377 0.754 20 5 ECBDHN Cn1nnc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)n1 ZINC001020478596 751681604 /nfs/dbraw/zinc/68/16/04/751681604.db2.gz SIQHAIPUFCGSGA-XYPYZODXSA-N 0 3 331.336 0.169 20 5 ECBDHN Cc1cnc(CN2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cn1 ZINC000981764143 751075305 /nfs/dbraw/zinc/07/53/05/751075305.db2.gz OGNWUZXCEQZRLH-HUUCEWRRSA-N 0 3 345.403 0.875 20 5 ECBDHN Cc1nccn1CC(=O)N[C@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001021053688 752483600 /nfs/dbraw/zinc/48/36/00/752483600.db2.gz VNEFRKWBPCZPAV-HAQNSBGRSA-N 0 3 347.379 0.270 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2ccc[nH]2)C1 ZINC000983152840 754725973 /nfs/dbraw/zinc/72/59/73/754725973.db2.gz HGURIVCEWXRNJK-XYPYZODXSA-N 0 3 332.364 0.955 20 5 ECBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1c[nH]c(=O)cn1 ZINC001022615339 758960472 /nfs/dbraw/zinc/96/04/72/758960472.db2.gz HTPSELRTEAONJS-TXEJJXNPSA-N 0 3 343.343 0.729 20 5 ECBDHN COCCCN1CC(OC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001105707148 759559928 /nfs/dbraw/zinc/55/99/28/759559928.db2.gz ONJHPUAAFLHMQN-HUUCEWRRSA-N 0 3 341.408 0.380 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(N(C)C)CCSC2)n1 ZINC000427634258 210212198 /nfs/dbraw/zinc/21/21/98/210212198.db2.gz RESUAGNRCYNUQG-ZDUSSCGKSA-N 0 3 327.410 0.978 20 5 ECBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419968709 209264216 /nfs/dbraw/zinc/26/42/16/209264216.db2.gz DZJIWVUNTUQJFL-AWEZNQCLSA-N 0 3 348.403 0.969 20 5 ECBDHN CN(C)C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000246058090 205173922 /nfs/dbraw/zinc/17/39/22/205173922.db2.gz YHVXCXPOTTWIIK-CVEARBPZSA-N 0 3 348.403 0.963 20 5 ECBDHN CN(C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000111660350 220177321 /nfs/dbraw/zinc/17/73/21/220177321.db2.gz AAWHRUGVENSOEO-SNVBAGLBSA-N 0 3 340.405 0.939 20 5 ECBDHN COC(=O)[C@]1(C)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412073430 208198446 /nfs/dbraw/zinc/19/84/46/208198446.db2.gz QEUAKQCIIDBPIG-TZMCWYRMSA-N 0 3 326.353 0.427 20 5 ECBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N1CCNCC1 ZINC000430628382 210392870 /nfs/dbraw/zinc/39/28/70/210392870.db2.gz OORCTPZPRJXRHJ-UHFFFAOYSA-N 0 3 349.391 0.287 20 5 ECBDHN CN(C)CCN1C[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000073100338 296614294 /nfs/dbraw/zinc/61/42/94/296614294.db2.gz AZHMBOOZACWOCC-ZDUSSCGKSA-N 0 3 334.376 0.621 20 5 ECBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H](C)C1 ZINC000250283288 165206491 /nfs/dbraw/zinc/20/64/91/165206491.db2.gz ITBJARPKCWUNIX-QWHCGFSZSA-N 0 3 336.392 0.993 20 5 ECBDHN COCCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000261814676 165247634 /nfs/dbraw/zinc/24/76/34/165247634.db2.gz AHEVFEUHKNUCMG-UHFFFAOYSA-N 0 3 333.366 0.118 20 5 ECBDHN COCC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261955608 165269225 /nfs/dbraw/zinc/26/92/25/165269225.db2.gz WZOVLZLREYNOQR-UHFFFAOYSA-N 0 3 343.405 0.889 20 5 ECBDHN C[C@H]1NCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000262811528 165391847 /nfs/dbraw/zinc/39/18/47/165391847.db2.gz REYPJGMASCRIPA-GHMZBOCLSA-N 0 3 348.359 0.529 20 5 ECBDHN C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000269646176 263194464 /nfs/dbraw/zinc/19/44/64/263194464.db2.gz SNXCONJBDQHCQX-STQMWFEESA-N 0 3 336.392 0.993 20 5 ECBDHN CN1CCC(O)(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270503136 263247059 /nfs/dbraw/zinc/24/70/59/263247059.db2.gz KJDIEPXIRFLVMM-UHFFFAOYSA-N 0 3 336.392 0.893 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](NC(N)=O)C1 ZINC000270592068 263255456 /nfs/dbraw/zinc/25/54/56/263255456.db2.gz FFGULGPWMHGONV-NSHDSACASA-N 0 3 335.364 0.974 20 5 ECBDHN CN1CC[C@H](CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000283474374 264121060 /nfs/dbraw/zinc/12/10/60/264121060.db2.gz YNCVDYDFFPSXKX-SNVBAGLBSA-N 0 3 341.389 0.680 20 5 ECBDHN CNC(=O)c1ccc(N2CCO[C@@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000284556064 264227300 /nfs/dbraw/zinc/22/73/00/264227300.db2.gz MXLPESSMARFMQY-HUUCEWRRSA-N 0 3 334.376 0.864 20 5 ECBDHN CCc1n[n-]c(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)c1[N+](=O)[O-] ZINC000284613539 264233928 /nfs/dbraw/zinc/23/39/28/264233928.db2.gz BHSDZRJVZWEKMK-UWVGGRQHSA-N 0 3 325.369 0.671 20 5 ECBDHN CCc1n[n-]c(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c1[N+](=O)[O-] ZINC000284613539 264233931 /nfs/dbraw/zinc/23/39/31/264233931.db2.gz BHSDZRJVZWEKMK-UWVGGRQHSA-N 0 3 325.369 0.671 20 5 ECBDHN CCc1[nH]nc(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)c1[N+](=O)[O-] ZINC000284613539 264233932 /nfs/dbraw/zinc/23/39/32/264233932.db2.gz BHSDZRJVZWEKMK-UWVGGRQHSA-N 0 3 325.369 0.671 20 5 ECBDHN CCc1n[nH]c(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)c1[N+](=O)[O-] ZINC000284613539 264233934 /nfs/dbraw/zinc/23/39/34/264233934.db2.gz BHSDZRJVZWEKMK-UWVGGRQHSA-N 0 3 325.369 0.671 20 5 ECBDHN CC(C)NS(=O)(=O)NCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285065310 264274207 /nfs/dbraw/zinc/27/42/07/264274207.db2.gz JBMSLGWMJHXIRR-SNVBAGLBSA-N 0 3 345.425 0.660 20 5 ECBDHN CN1CC[C@]2(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000291628535 437612908 /nfs/dbraw/zinc/61/29/08/437612908.db2.gz BHOBOEHCFYCOPS-AWEZNQCLSA-N 0 3 340.405 0.774 20 5 ECBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000331993571 296989870 /nfs/dbraw/zinc/98/98/70/296989870.db2.gz YGTRNERTCOZALL-STQMWFEESA-N 0 3 334.376 0.842 20 5 ECBDHN CCN(CC)CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000339574291 297360645 /nfs/dbraw/zinc/36/06/45/297360645.db2.gz GVIXYABNZZKSEM-UHFFFAOYSA-N 0 3 336.392 0.977 20 5 ECBDHN COC(=O)C1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000343162892 297837364 /nfs/dbraw/zinc/83/73/64/297837364.db2.gz FXOWCBNVRMVIQU-UHFFFAOYSA-N 0 3 338.364 0.928 20 5 ECBDHN COCCCN1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000363206703 300254388 /nfs/dbraw/zinc/25/43/88/300254388.db2.gz OWADWUWRXNJGLN-UHFFFAOYSA-N 0 3 325.369 0.362 20 5 ECBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377593343 301362583 /nfs/dbraw/zinc/36/25/83/301362583.db2.gz NNLILDLRTKTGSD-GHMZBOCLSA-N 0 3 337.380 0.863 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCN(c2ccncc2)CC1 ZINC000090552394 436432308 /nfs/dbraw/zinc/43/23/08/436432308.db2.gz KXZRYMZLSPJBRN-UHFFFAOYSA-N 0 3 329.360 0.974 20 5 ECBDHN CN1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000530811640 302028951 /nfs/dbraw/zinc/02/89/51/302028951.db2.gz XJJZXFCFNUZTPD-UHFFFAOYSA-N 0 3 333.392 0.980 20 5 ECBDHN CN(C)CCN(CCN(C)C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000530880597 302033398 /nfs/dbraw/zinc/03/33/98/302033398.db2.gz WQFSLRXZLSEFNC-UHFFFAOYSA-N 0 3 338.408 0.925 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCN1C ZINC000139185800 436664896 /nfs/dbraw/zinc/66/48/96/436664896.db2.gz IWRYNAIPAONENM-FZMZJTMJSA-N 0 3 334.376 0.924 20 5 ECBDHN COCCNCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237342802 436731079 /nfs/dbraw/zinc/73/10/79/436731079.db2.gz FQGIEZXLSDEQBQ-UHFFFAOYSA-N 0 3 334.336 0.141 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2C[NH2+]C2)c(C(F)(F)F)c1 ZINC000237796182 436745091 /nfs/dbraw/zinc/74/50/91/436745091.db2.gz BTFHQGMZCFGAQH-UHFFFAOYSA-N 0 3 325.268 0.864 20 5 ECBDHN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](C)C1 ZINC000126234671 436783940 /nfs/dbraw/zinc/78/39/40/436783940.db2.gz ITBJARPKCWUNIX-OLZOCXBDSA-N 0 3 336.392 0.993 20 5 ECBDHN CC1CCN(C[C@@H](O)CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000126606926 436788724 /nfs/dbraw/zinc/78/87/24/436788724.db2.gz LHLABJCUHKRELE-NSHDSACASA-N 0 3 325.369 0.151 20 5 ECBDHN NC(=O)[C@@H]1CCCN1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000131563071 436854337 /nfs/dbraw/zinc/85/43/37/436854337.db2.gz NEQUTNPJHPVFRT-ZDUSSCGKSA-N 0 3 336.396 0.205 20 5 ECBDHN CC(C)(C(=O)NC[C@H](O)CN1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000160115673 436867995 /nfs/dbraw/zinc/86/79/95/436867995.db2.gz CYCZDPNKUMHASC-ZDUSSCGKSA-N 0 3 339.396 0.489 20 5 ECBDHN NS(=O)(=O)NC[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000170691066 436950190 /nfs/dbraw/zinc/95/01/90/436950190.db2.gz LUGORDLJHZYMBR-CYBMUJFWSA-N 0 3 342.421 0.642 20 5 ECBDHN COCCN(C)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000263817368 436990826 /nfs/dbraw/zinc/99/08/26/436990826.db2.gz YSOYJRPHVCSLEY-UHFFFAOYSA-N 0 3 341.364 0.920 20 5 ECBDHN CCc1n[n-]c(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000172413970 437014533 /nfs/dbraw/zinc/01/45/33/437014533.db2.gz RLYVBFBRGYURRS-SNVBAGLBSA-N 0 3 325.369 0.578 20 5 ECBDHN C[C@H](CO)N(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000276149037 437063311 /nfs/dbraw/zinc/06/33/11/437063311.db2.gz DNLCHJADQBPDPL-FRRDWIJNSA-N 0 3 328.365 0.398 20 5 ECBDHN Cn1cc(C[C@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000304505075 437158535 /nfs/dbraw/zinc/15/85/35/437158535.db2.gz GWCMHXAAROSWIU-IUODEOHRSA-N 0 3 334.380 0.450 20 5 ECBDHN COc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000324619063 437229973 /nfs/dbraw/zinc/22/99/73/437229973.db2.gz NMMILJVFOSEFNH-ZDUSSCGKSA-N 0 3 336.348 0.959 20 5 ECBDHN NC(=O)c1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000178826475 437234166 /nfs/dbraw/zinc/23/41/66/437234166.db2.gz GKQZLIHVVRPURW-ZDUSSCGKSA-N 0 3 348.403 0.848 20 5 ECBDHN COCCN(C)C[C@@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000326758925 437234868 /nfs/dbraw/zinc/23/48/68/437234868.db2.gz NJJGFFUIEPPLTC-CQSZACIVSA-N 0 3 335.364 0.792 20 5 ECBDHN O=C1C[C@@]2(CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278751774 437341458 /nfs/dbraw/zinc/34/14/58/437341458.db2.gz AYFIZSWOMBSYHP-WBMJQRKESA-N 0 3 335.360 0.547 20 5 ECBDHN CN(CCCN1CCN(C)CC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000182967832 437370124 /nfs/dbraw/zinc/37/01/24/437370124.db2.gz DZPXNMRYTCPQRW-UHFFFAOYSA-N 0 3 337.424 0.326 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H](CO)CN1CCCCC1 ZINC000288571146 437334815 /nfs/dbraw/zinc/33/48/15/437334815.db2.gz QVLXVBBTMLUPTP-CYBMUJFWSA-N 0 3 336.392 0.970 20 5 ECBDHN C[C@@H]1OCC[C@H]1N(CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361556053 437670953 /nfs/dbraw/zinc/67/09/53/437670953.db2.gz DZQGGQZHPPVMSG-BFHYXJOUSA-N 0 3 340.376 0.806 20 5 ECBDHN CN(C)CCOc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000340561081 437695100 /nfs/dbraw/zinc/69/51/00/437695100.db2.gz INXASMDIUWLAHZ-UHFFFAOYSA-N 0 3 348.363 0.443 20 5 ECBDHN CCN1CC[C@@H]2OCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000355317903 437696037 /nfs/dbraw/zinc/69/60/37/437696037.db2.gz LZBKAFNOHMXJMI-KGLIPLIRSA-N 0 3 337.380 0.503 20 5 ECBDHN CNCC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423891463 437848278 /nfs/dbraw/zinc/84/82/78/437848278.db2.gz DFZUKTNRAGMYNG-UHFFFAOYSA-N 0 3 332.364 0.729 20 5 ECBDHN CCNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000357070602 437903528 /nfs/dbraw/zinc/90/35/28/437903528.db2.gz DMXYZKFPGJIERQ-QMMMGPOBSA-N 0 3 329.334 0.603 20 5 ECBDHN O=C(CCN1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366307627 438050379 /nfs/dbraw/zinc/05/03/79/438050379.db2.gz DUZQQACRQMEPSY-WDEREUQCSA-N 0 3 346.343 0.518 20 5 ECBDHN COC1CCN(C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000357899583 438094761 /nfs/dbraw/zinc/09/47/61/438094761.db2.gz SVSBRGZLRNXKCH-UHFFFAOYSA-N 0 3 339.396 0.948 20 5 ECBDHN CN1CCC[C@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000357911742 438097159 /nfs/dbraw/zinc/09/71/59/438097159.db2.gz KZDSZFLCBLIMRB-LBPRGKRZSA-N 0 3 348.359 0.531 20 5 ECBDHN O=c1[nH]c(NC[C@H]2CN3CCC[C@@H]3CO2)nc2ccc([N+](=O)[O-])cc21 ZINC000367714636 438240539 /nfs/dbraw/zinc/24/05/39/438240539.db2.gz DBOYNLZKGZREHX-NEPJUHHUSA-N 0 3 345.359 1.519 20 5 ECBDHN O=C1NC[C@@H]2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377666983 438322201 /nfs/dbraw/zinc/32/22/01/438322201.db2.gz CREKLPJKWHBMRY-OSAQELSMSA-N 0 3 335.360 0.402 20 5 ECBDHN Cc1c(C(=O)N(C)CCN(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000443221194 438647937 /nfs/dbraw/zinc/64/79/37/438647937.db2.gz LFRMZTLMAIITOV-UHFFFAOYSA-N 0 3 344.393 0.184 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCN1CCCO ZINC000452348288 438654091 /nfs/dbraw/zinc/65/40/91/438654091.db2.gz KWYWWRODJPBQFK-AWEZNQCLSA-N 0 3 337.376 0.937 20 5 ECBDHN CC(=O)NCCN(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000575120648 438738995 /nfs/dbraw/zinc/73/89/95/438738995.db2.gz COVDWDACNFHDKM-UHFFFAOYSA-N 0 3 336.348 0.961 20 5 ECBDHN CNc1nc(C(=O)NC[C@H]2CCCN2CCOC)ccc1[N+](=O)[O-] ZINC000455457629 438745860 /nfs/dbraw/zinc/74/58/60/438745860.db2.gz FTISWAAGWYUHIF-LLVKDONJSA-N 0 3 337.380 0.872 20 5 ECBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)Cc1ccccc1 ZINC000595598778 438831716 /nfs/dbraw/zinc/83/17/16/438831716.db2.gz WPQZEFMDKXGSQV-HOCLYGCPSA-N 0 3 334.376 0.688 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](Cn3ccnn3)C2)c1 ZINC000595612536 438834020 /nfs/dbraw/zinc/83/40/20/438834020.db2.gz RBGZUDJLGDDLIZ-ZFWWWQNUSA-N 0 3 347.375 0.948 20 5 ECBDHN CCN(C)C(=O)[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578127828 438900010 /nfs/dbraw/zinc/90/00/10/438900010.db2.gz RCVIQCSQCSUIJF-RYUDHWBXSA-N 0 3 325.365 0.791 20 5 ECBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCC4(CNC4)O3)CC2)cn1 ZINC000595892543 438878620 /nfs/dbraw/zinc/87/86/20/438878620.db2.gz RVIPFIFDFLIKFA-AWEZNQCLSA-N 0 3 333.392 0.633 20 5 ECBDHN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCOC2(CNC2)C1 ZINC000596097068 438924993 /nfs/dbraw/zinc/92/49/93/438924993.db2.gz AFHPENXTLFQNQA-UHFFFAOYSA-N 0 3 335.316 0.180 20 5 ECBDHN CN1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)C1 ZINC000596128318 438928524 /nfs/dbraw/zinc/92/85/24/438928524.db2.gz HSBKYAFBXLDUNM-CQSZACIVSA-N 0 3 347.419 0.910 20 5 ECBDHN CN(C)C[C@H](CO)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000596244992 438945836 /nfs/dbraw/zinc/94/58/36/438945836.db2.gz UDKQGKKSARYIEF-SNVBAGLBSA-N 0 3 346.409 0.180 20 5 ECBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNS(=O)(=O)N(C)C ZINC000459543161 438975680 /nfs/dbraw/zinc/97/56/80/438975680.db2.gz XHSJBKCFMKXWAV-XFXZXTDPSA-N 0 3 342.421 0.984 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000579129092 438982911 /nfs/dbraw/zinc/98/29/11/438982911.db2.gz DWAXKODINJHQJZ-UONOGXRCSA-N 0 3 347.375 0.091 20 5 ECBDHN N[C@H]1C[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496960 439063737 /nfs/dbraw/zinc/06/37/37/439063737.db2.gz VUNKUJKDXGXWLB-NEPJUHHUSA-N 0 3 347.375 0.167 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@]1(O)CN2CCC1CC2 ZINC000580619664 439110173 /nfs/dbraw/zinc/11/01/73/439110173.db2.gz PXUMDEIEUBFSEG-MRXNPFEDSA-N 0 3 334.376 0.580 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cnn(CC(F)(F)F)c2)c1 ZINC000591754415 439080574 /nfs/dbraw/zinc/08/05/74/439080574.db2.gz JQXAFWHXFDFFJJ-NSHDSACASA-N 0 3 348.285 0.701 20 5 ECBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567521144 439150385 /nfs/dbraw/zinc/15/03/85/439150385.db2.gz RJWAWHQWKCIYIP-PWSUYJOCSA-N 0 3 348.359 0.438 20 5 ECBDHN CNc1ccc(C(=O)N2CC(CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000597693126 439159582 /nfs/dbraw/zinc/15/95/82/439159582.db2.gz BFSTWPIFHXRHAL-UHFFFAOYSA-N 0 3 347.419 0.956 20 5 ECBDHN CCc1n[nH]c(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000597694802 439161653 /nfs/dbraw/zinc/16/16/53/439161653.db2.gz NXOBYQGAMUGCFA-NEPJUHHUSA-N 0 3 337.380 0.816 20 5 ECBDHN N[C@@H]1C[C@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568783175 439279016 /nfs/dbraw/zinc/27/90/16/439279016.db2.gz OTCWTWQUCDCNAN-UONOGXRCSA-N 0 3 347.375 0.167 20 5 ECBDHN CN(C[C@@H]1CCCN1C)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598630295 439292789 /nfs/dbraw/zinc/29/27/89/439292789.db2.gz GSKRWQIUUZYYCU-LBPRGKRZSA-N 0 3 336.396 0.752 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-]C2(C[NH3+])CCOCC2)c([N+](=O)[O-])c1 ZINC000599102174 439356411 /nfs/dbraw/zinc/35/64/11/439356411.db2.gz IHNIFORDCDFDSP-UHFFFAOYSA-N 0 3 345.377 0.390 20 5 ECBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599237070 439394961 /nfs/dbraw/zinc/39/49/61/439394961.db2.gz KNTOCDOWVWOGSZ-JTQLQIEISA-N 0 3 331.398 0.291 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)n1 ZINC000599263814 439407580 /nfs/dbraw/zinc/40/75/80/439407580.db2.gz RTIUCWKJGGJTSC-MNOVXSKESA-N 0 3 343.409 0.433 20 5 ECBDHN Cc1c(NC(=O)[C@@H](C)N2CCN3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594026460 439510276 /nfs/dbraw/zinc/51/02/76/439510276.db2.gz CKWJKPYIENJTQI-HZSPNIEDSA-N 0 3 348.403 0.981 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](CO)CN1CCCC1 ZINC000583871906 439522029 /nfs/dbraw/zinc/52/20/29/439522029.db2.gz HYNUOGPNGHUWIL-KGLIPLIRSA-N 0 3 339.392 0.381 20 5 ECBDHN NC(=O)c1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000571909085 439541013 /nfs/dbraw/zinc/54/10/13/439541013.db2.gz VFVXDAYGXZGETK-GFCCVEGCSA-N 0 3 346.343 0.618 20 5 ECBDHN CN(C)C(=O)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000584032107 439541436 /nfs/dbraw/zinc/54/14/36/439541436.db2.gz PKCFKYPVKPFUSK-OAHLLOKOSA-N 0 3 347.375 0.644 20 5 ECBDHN COc1ccc(CC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599938342 439579662 /nfs/dbraw/zinc/57/96/62/439579662.db2.gz NTPLBMYTKIDXEV-KGLIPLIRSA-N 0 3 349.387 0.813 20 5 ECBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939523 439581745 /nfs/dbraw/zinc/58/17/45/439581745.db2.gz WGZOUHXANGXFSU-WDEREUQCSA-N 0 3 337.380 0.722 20 5 ECBDHN CSC1(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCN(C)CC1 ZINC000584361047 439581850 /nfs/dbraw/zinc/58/18/50/439581850.db2.gz ZPIVPJRXQPVUIW-UHFFFAOYSA-N 0 3 339.421 1.129 20 5 ECBDHN CC(C)(C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000599938931 439581946 /nfs/dbraw/zinc/58/19/46/439581946.db2.gz STKZNWIKTBAVHA-DGCLKSJQSA-N 0 3 337.380 0.194 20 5 ECBDHN Cn1c2cc([N+](=O)[O-])c(N3CCN4C[C@H](O)C[C@H]4C3)cc2n(C)c1=O ZINC000594604120 439582640 /nfs/dbraw/zinc/58/26/40/439582640.db2.gz QUORQDHVDMMTMC-WDEREUQCSA-N 0 3 347.375 0.040 20 5 ECBDHN N[C@H]1C[C@@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)CCN2C1=O ZINC000594702744 439593929 /nfs/dbraw/zinc/59/39/29/439593929.db2.gz WHEZWDGYJJQXKX-YPMHNXCESA-N 0 3 327.344 0.891 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cnc(C(F)(F)F)nc2)c1 ZINC000594718819 439594864 /nfs/dbraw/zinc/59/48/64/439594864.db2.gz VDXWGJRYGYXXAY-SNVBAGLBSA-N 0 3 346.269 0.751 20 5 ECBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594878126 439637607 /nfs/dbraw/zinc/63/76/07/439637607.db2.gz OFOZMRLDFNQHKF-OLZOCXBDSA-N 0 3 346.387 0.904 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000595251616 439682368 /nfs/dbraw/zinc/68/23/68/439682368.db2.gz PJDDQTKXWLRDPF-UHFFFAOYSA-N 0 3 334.332 0.492 20 5 ECBDHN N[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[C@H]1F ZINC000595260513 439683768 /nfs/dbraw/zinc/68/37/68/439683768.db2.gz AHPXBTACZBETFK-VXGBXAGGSA-N 0 3 334.311 0.687 20 5 ECBDHN CN(C)S(=O)(=O)CCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353870103 321422592 /nfs/dbraw/zinc/42/25/92/321422592.db2.gz VRGHNCFGGJAXLB-NWDGAFQWSA-N 0 3 345.425 0.756 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1N1CCCC1 ZINC000361620193 321617609 /nfs/dbraw/zinc/61/76/09/321617609.db2.gz DZVKVHUZPITYSR-NWDGAFQWSA-N 0 3 339.421 0.980 20 5 ECBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000556930576 322200043 /nfs/dbraw/zinc/20/00/43/322200043.db2.gz TVBZEFRWVNQCQA-GFCCVEGCSA-N 0 3 336.396 0.558 20 5 ECBDHN CC(=O)Nc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000562988047 322291203 /nfs/dbraw/zinc/29/12/03/322291203.db2.gz LGTGZQLBQKFYRQ-HNNXBMFYSA-N 0 3 333.348 0.900 20 5 ECBDHN CCOC(=O)c1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000564469223 322376662 /nfs/dbraw/zinc/37/66/62/322376662.db2.gz CBEJXXRTKFSBMU-DGCLKSJQSA-N 0 3 348.359 0.520 20 5 ECBDHN CC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F ZINC000566231784 322515895 /nfs/dbraw/zinc/51/58/95/322515895.db2.gz UDNNZFLOXCBFRQ-GUBZILKMSA-N 0 3 326.275 0.444 20 5 ECBDHN CN(C[C@@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736856037 578457797 /nfs/dbraw/zinc/45/77/97/578457797.db2.gz KJEHERNJIDIZIF-SNVBAGLBSA-N 0 3 332.368 0.948 20 5 ECBDHN CN(C[C@@H]1CCC[N@@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736856037 578457798 /nfs/dbraw/zinc/45/77/98/578457798.db2.gz KJEHERNJIDIZIF-SNVBAGLBSA-N 0 3 332.368 0.948 20 5 ECBDHN CN(C[C@@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736856037 578457799 /nfs/dbraw/zinc/45/77/99/578457799.db2.gz KJEHERNJIDIZIF-SNVBAGLBSA-N 0 3 332.368 0.948 20 5 ECBDHN CN(C[C@@H]1CCC[N@@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736856037 578457800 /nfs/dbraw/zinc/45/78/00/578457800.db2.gz KJEHERNJIDIZIF-SNVBAGLBSA-N 0 3 332.368 0.948 20 5 ECBDHN CCN1CCC[C@H]1CNC(=S)NCCn1cc([N+](=O)[O-])cn1 ZINC000768480438 579126680 /nfs/dbraw/zinc/12/66/80/579126680.db2.gz RFSJEUWOTKLVBY-NSHDSACASA-N 0 3 326.426 0.740 20 5 ECBDHN CNS(=O)(=O)c1ccc(N2CC[C@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893939983 586367437 /nfs/dbraw/zinc/36/74/37/586367437.db2.gz LMTZSAKAQCEZJL-HZMBPMFUSA-N 0 3 340.405 0.643 20 5 ECBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000807937383 587139919 /nfs/dbraw/zinc/13/99/19/587139919.db2.gz BQJDWEPPYAHMFB-HNNXBMFYSA-N 0 3 340.355 0.845 20 5 ECBDHN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])n(C)c1 ZINC000813101838 587248245 /nfs/dbraw/zinc/24/82/45/587248245.db2.gz JWIGHVKXJSXEFT-JTQLQIEISA-N 0 3 347.393 0.878 20 5 ECBDHN Cc1ccc(S(=O)(=O)NCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110265 587248558 /nfs/dbraw/zinc/24/85/58/587248558.db2.gz WCIDPLJBUJCMPM-NSHDSACASA-N 0 3 330.362 0.872 20 5 ECBDHN CN1CCN(C[C@H](O)CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000819150264 587470654 /nfs/dbraw/zinc/47/06/54/587470654.db2.gz OJYHNTNYMOCQGA-CQSZACIVSA-N 0 3 342.827 0.946 20 5 ECBDHN CS(=O)(=O)NC1CC(NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819296244 587475472 /nfs/dbraw/zinc/47/54/72/587475472.db2.gz WIMXBDLTYRWJTQ-XIVSLSHWSA-N 0 3 329.378 0.298 20 5 ECBDHN CN(CC(=O)N[C@@H](CO)CN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000819837812 587493156 /nfs/dbraw/zinc/49/31/56/587493156.db2.gz SGQKWISAMRVGDV-CYBMUJFWSA-N 0 3 336.392 0.604 20 5 ECBDHN COCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821687680 587621986 /nfs/dbraw/zinc/62/19/86/587621986.db2.gz JUOMHFDERTXZTK-UHFFFAOYSA-N 0 3 336.356 0.550 20 5 ECBDHN COCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821687680 587621988 /nfs/dbraw/zinc/62/19/88/587621988.db2.gz JUOMHFDERTXZTK-UHFFFAOYSA-N 0 3 336.356 0.550 20 5 ECBDHN COCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821687680 587621989 /nfs/dbraw/zinc/62/19/89/587621989.db2.gz JUOMHFDERTXZTK-UHFFFAOYSA-N 0 3 336.356 0.550 20 5 ECBDHN COCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821687680 587621991 /nfs/dbraw/zinc/62/19/91/587621991.db2.gz JUOMHFDERTXZTK-UHFFFAOYSA-N 0 3 336.356 0.550 20 5 ECBDHN O=C(N1CCOC2(CNC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766734 589704138 /nfs/dbraw/zinc/70/41/38/589704138.db2.gz RMZCJENTBKBZDM-UHFFFAOYSA-N 0 3 343.286 0.767 20 5 ECBDHN O=C1OC[C@H]2CN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000860163672 589750452 /nfs/dbraw/zinc/75/04/52/589750452.db2.gz CPYYXLXFHCCVPY-ZYHUDNBSSA-N 0 3 347.327 0.998 20 5 ECBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCCN1CC[C@H](O)C1 ZINC000858868349 589779631 /nfs/dbraw/zinc/77/96/31/589779631.db2.gz YAFGLFAKNNNCPS-ZDUSSCGKSA-N 0 3 334.376 0.966 20 5 ECBDHN CN1CC[C@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000867811071 589846806 /nfs/dbraw/zinc/84/68/06/589846806.db2.gz NLIPJQICVYOOFZ-WDEREUQCSA-N 0 3 326.378 0.705 20 5 ECBDHN Cc1c(NC(=O)CCN2CCN(C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931405017 611537103 /nfs/dbraw/zinc/53/71/03/611537103.db2.gz FDUUFVZVCQCLDG-CYBMUJFWSA-N 0 3 336.392 0.840 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H]2OCCN[C@H]2C1 ZINC000923384383 611235817 /nfs/dbraw/zinc/23/58/17/611235817.db2.gz GNYSLASIOMHCJJ-VNHYZAJKSA-N 0 3 337.376 0.397 20 5 ECBDHN COc1ccnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025775322 739943123 /nfs/dbraw/zinc/94/31/23/739943123.db2.gz PASXYVIYOBUVMH-QMIVOQANSA-N 0 3 332.360 0.302 20 5 ECBDHN COc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001025775386 739943648 /nfs/dbraw/zinc/94/36/48/739943648.db2.gz VDVRWLRGBHZPEI-VVSAWPALSA-N 0 3 332.360 0.302 20 5 ECBDHN O=C(N[C@@H]1[C@H]2CN(Cc3cc(CO)ccc3F)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776358 739945519 /nfs/dbraw/zinc/94/55/19/739945519.db2.gz ABOXADRKVBINON-QUEVPRLRSA-N 0 3 349.362 0.530 20 5 ECBDHN O=C(N[C@@H]1[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21)c1nnc[nH]1 ZINC001026114643 740386323 /nfs/dbraw/zinc/38/63/23/740386323.db2.gz IATNDRPFUNHEDR-ITGUQSILSA-N 0 3 328.332 0.573 20 5 ECBDHN O=C(N[C@@H]1[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21)c1ncn[nH]1 ZINC001026114643 740386328 /nfs/dbraw/zinc/38/63/28/740386328.db2.gz IATNDRPFUNHEDR-ITGUQSILSA-N 0 3 328.332 0.573 20 5 ECBDHN O=C(N[C@@H]1[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21)c1nc[nH]n1 ZINC001026114643 740386332 /nfs/dbraw/zinc/38/63/32/740386332.db2.gz IATNDRPFUNHEDR-ITGUQSILSA-N 0 3 328.332 0.573 20 5 ECBDHN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974112410 740952599 /nfs/dbraw/zinc/95/25/99/740952599.db2.gz XPJFGHPNMIMQER-WRWGMCAJSA-N 0 3 349.391 0.884 20 5 ECBDHN Cc1nc[nH]c1C(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997436155 743615941 /nfs/dbraw/zinc/61/59/41/743615941.db2.gz LBACGLUBBHWCMT-UHFFFAOYSA-N 0 3 347.379 0.754 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)c2ccon2)CC1 ZINC000997569881 743683111 /nfs/dbraw/zinc/68/31/11/743683111.db2.gz HGBQSBQXLRSIRM-UHFFFAOYSA-N 0 3 348.363 0.958 20 5 ECBDHN CCN(CC)CC(=O)N(C)CCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001105408903 747389068 /nfs/dbraw/zinc/38/90/68/747389068.db2.gz KGKUCZHJXBFORJ-UHFFFAOYSA-N 0 3 339.396 0.932 20 5 ECBDHN CCn1cc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC000985433460 748013250 /nfs/dbraw/zinc/01/32/50/748013250.db2.gz KPEOQPPJBMAUHU-ZIAGYGMSSA-N 0 3 336.396 0.386 20 5 ECBDHN O=C(Cn1cncn1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021019705 752440201 /nfs/dbraw/zinc/44/02/01/752440201.db2.gz PWTGCOUHLPODLI-JOCQHMNTSA-N 0 3 330.348 0.623 20 5 ECBDHN CCCN(C)CC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107280220 758145827 /nfs/dbraw/zinc/14/58/27/758145827.db2.gz JNMIUCIZDDNOIM-SNAWJCMRSA-N 0 3 337.384 0.393 20 5 ECBDHN O=C(N[C@H]1C[C@@H](NCc2nc3c(o2)CCCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063515 758226464 /nfs/dbraw/zinc/22/64/64/758226464.db2.gz CQMSULWKPWRCMX-LSCVPOLPSA-N 0 3 334.376 0.955 20 5 ECBDHN O=C(Cn1nccn1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022141527 758329886 /nfs/dbraw/zinc/32/98/86/758329886.db2.gz ZVKGQVLCJJQKSE-BETUJISGSA-N 0 3 330.348 0.623 20 5 ECBDHN O=C(CNC(=O)N1CCCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001127036037 760131913 /nfs/dbraw/zinc/13/19/13/760131913.db2.gz ZBEOAELIPRVYCR-UHFFFAOYSA-N 0 3 349.391 0.606 20 5 ECBDHN CNC(=O)c1ccc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001031661885 766378357 /nfs/dbraw/zinc/37/83/57/766378357.db2.gz LXBRTTSYAORMSV-HUUCEWRRSA-N 0 3 346.387 0.259 20 5 ECBDHN Cc1nccn1CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073015588 789275945 /nfs/dbraw/zinc/27/59/45/789275945.db2.gz LCUJCRVSSXRAAY-CHWSQXEVSA-N 0 3 349.391 0.354 20 5 ECBDHN CN(CCNC(=O)CCc1nc[nH]n1)Cc1cccc([N+](=O)[O-])c1 ZINC001266265613 835579638 /nfs/dbraw/zinc/57/96/38/835579638.db2.gz JQOALXBZNAMTFR-UHFFFAOYSA-N 0 3 332.364 0.894 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000425550933 210071596 /nfs/dbraw/zinc/07/15/96/210071596.db2.gz PSKNUBBNRVTXFV-WCQYABFASA-N 0 3 333.348 0.942 20 5 ECBDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000183764470 235219477 /nfs/dbraw/zinc/21/94/77/235219477.db2.gz RRXOQBAKCOVNBA-ZDUSSCGKSA-N 0 3 345.359 0.815 20 5 ECBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)CN1CCN(C)CC1 ZINC000184403428 235389359 /nfs/dbraw/zinc/38/93/59/235389359.db2.gz NSFHBONQGGNWRT-GFCCVEGCSA-N 0 3 335.408 0.790 20 5 ECBDHN CCN1CCN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000193991122 240389943 /nfs/dbraw/zinc/38/99/43/240389943.db2.gz LIDKSGCERYAXKH-UHFFFAOYSA-N 0 3 342.421 0.511 20 5 ECBDHN CCOC(=O)[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000155693113 206027398 /nfs/dbraw/zinc/02/73/98/206027398.db2.gz JQKQVJWRLITIBM-YPMHNXCESA-N 0 3 326.353 0.427 20 5 ECBDHN CN(CCN1CCCC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000103204079 206397019 /nfs/dbraw/zinc/39/70/19/206397019.db2.gz RFSJUARZDWUZBZ-UHFFFAOYSA-N 0 3 334.376 0.879 20 5 ECBDHN CC[C@@H]1CN(C(=O)c2[n-]nc(C)c2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000266500211 248332713 /nfs/dbraw/zinc/33/27/13/248332713.db2.gz RXMZCDFKGTWPRG-GXSJLCMTSA-N 0 3 325.369 0.544 20 5 ECBDHN CC[C@@H]1CN(C(=O)c2[n-]nc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000266500211 248332715 /nfs/dbraw/zinc/33/27/15/248332715.db2.gz RXMZCDFKGTWPRG-GXSJLCMTSA-N 0 3 325.369 0.544 20 5 ECBDHN COCCCNC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174832077 207063497 /nfs/dbraw/zinc/06/34/97/207063497.db2.gz SDEPQTQONFNHGJ-UHFFFAOYSA-N 0 3 339.396 0.656 20 5 ECBDHN CO[C@@H](C)[C@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000268865863 252315002 /nfs/dbraw/zinc/31/50/02/252315002.db2.gz WOGOJFLZBGURCN-QWRGUYRKSA-N 0 3 331.394 0.886 20 5 ECBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@](C)(O)CN(C)C)c1F ZINC000412211374 208212570 /nfs/dbraw/zinc/21/25/70/208212570.db2.gz TXWOYIXHJXIRIJ-HNNXBMFYSA-N 0 3 343.355 0.714 20 5 ECBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H](CN)C2CC2)cc1[N+](=O)[O-] ZINC000419271389 209047086 /nfs/dbraw/zinc/04/70/86/209047086.db2.gz ONYLDJNMEFESFG-GWCFXTLKSA-N 0 3 334.376 0.934 20 5 ECBDHN CN(C)CCn1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)ccc1=O ZINC000270054426 296748242 /nfs/dbraw/zinc/74/82/42/296748242.db2.gz CXDCFUXJAUYTSE-UHFFFAOYSA-N 0 3 334.336 0.153 20 5 ECBDHN COC[C@]1(C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000261890019 165259115 /nfs/dbraw/zinc/25/91/15/165259115.db2.gz NQDRGZRXEZYNDL-CQSZACIVSA-N 0 3 343.405 0.783 20 5 ECBDHN CS[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H]1N(C)C ZINC000270451214 263243277 /nfs/dbraw/zinc/24/32/77/263243277.db2.gz JJEPWEHZMIYXPI-VXGBXAGGSA-N 0 3 341.437 0.994 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000283531205 264126979 /nfs/dbraw/zinc/12/69/79/264126979.db2.gz MFXAEJCDODAOIW-SECBINFHSA-N 0 3 329.334 0.381 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000294636007 265010692 /nfs/dbraw/zinc/01/06/92/265010692.db2.gz LRDAZIBUVPFTDQ-ZYHUDNBSSA-N 0 3 325.369 0.013 20 5 ECBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000337955122 297228386 /nfs/dbraw/zinc/22/83/86/297228386.db2.gz WXJCYAOIXQDVBR-CYBMUJFWSA-N 0 3 337.380 0.595 20 5 ECBDHN CN(C)CC[C@](C)(O)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000352119273 298888519 /nfs/dbraw/zinc/88/85/19/298888519.db2.gz DKPMODOHUARHPU-HNNXBMFYSA-N 0 3 325.365 0.793 20 5 ECBDHN CN(C)CCN1C[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000073848732 436093373 /nfs/dbraw/zinc/09/33/73/436093373.db2.gz NCPVJUVFHIFLAB-GFCCVEGCSA-N 0 3 346.387 0.894 20 5 ECBDHN CCCNC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090522630 436433546 /nfs/dbraw/zinc/43/35/46/436433546.db2.gz KJQVCFMSEKWZII-ZDUSSCGKSA-N 0 3 336.392 0.995 20 5 ECBDHN CC(C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)S(C)(=O)=O ZINC000049679283 436470765 /nfs/dbraw/zinc/47/07/65/436470765.db2.gz ZSKJKAJZSPXKOM-JTQLQIEISA-N 0 3 342.377 0.072 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCCC1 ZINC000053283877 436528490 /nfs/dbraw/zinc/52/84/90/436528490.db2.gz JBKJGVVIUCIPOY-GFCCVEGCSA-N 0 3 334.376 0.925 20 5 ECBDHN CN(C)C[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000109133086 436623436 /nfs/dbraw/zinc/62/34/36/436623436.db2.gz YHVXCXPOTTWIIK-JKSUJKDBSA-N 0 3 348.403 0.963 20 5 ECBDHN CN1CCC[C@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000108461973 436619782 /nfs/dbraw/zinc/61/97/82/436619782.db2.gz DJDKLRGBHXZWOM-GFCCVEGCSA-N 0 3 334.376 0.783 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000061650329 436638790 /nfs/dbraw/zinc/63/87/90/436638790.db2.gz VEOGUHKYVRHELM-QWHCGFSZSA-N 0 3 335.360 0.953 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000152698647 436738477 /nfs/dbraw/zinc/73/84/77/436738477.db2.gz OHJYGFPAWNUNOX-HNNXBMFYSA-N 0 3 346.387 0.973 20 5 ECBDHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000274421465 436825481 /nfs/dbraw/zinc/82/54/81/436825481.db2.gz IGNCRVYWARHUOU-UHFFFAOYSA-N 0 3 338.364 0.272 20 5 ECBDHN Cc1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000161479415 436891292 /nfs/dbraw/zinc/89/12/92/436891292.db2.gz XDTDLHIVESTRNV-ZDUSSCGKSA-N 0 3 331.394 0.494 20 5 ECBDHN COCCN(C)CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280623778 436908548 /nfs/dbraw/zinc/90/85/48/436908548.db2.gz TVBNQPCUUCDADZ-UHFFFAOYSA-N 0 3 325.365 0.976 20 5 ECBDHN COc1ccc(NC(=O)CNC2(CO)CCOCC2)c([N+](=O)[O-])c1 ZINC000264596296 437050592 /nfs/dbraw/zinc/05/05/92/437050592.db2.gz BSMNHJRTYDWLST-UHFFFAOYSA-N 0 3 339.348 0.673 20 5 ECBDHN CN(C)CCN1C[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])CC1=O ZINC000174007958 437073708 /nfs/dbraw/zinc/07/37/08/437073708.db2.gz YNYPXOJWKMNZII-CYBMUJFWSA-N 0 3 334.376 0.621 20 5 ECBDHN Cn1cc(C[C@@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000304505077 437158441 /nfs/dbraw/zinc/15/84/41/437158441.db2.gz GWCMHXAAROSWIU-WFASDCNBSA-N 0 3 334.380 0.450 20 5 ECBDHN Cc1c(C(=O)N[C@@H](C)CN(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000287351183 437181785 /nfs/dbraw/zinc/18/17/85/437181785.db2.gz ZQBKLYRFCCOTSM-QMMMGPOBSA-N 0 3 344.393 0.231 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCC2=CCCOC2)cc1 ZINC000178162480 437208867 /nfs/dbraw/zinc/20/88/67/437208867.db2.gz RLKUEGKBFZIXQP-UHFFFAOYSA-N 0 3 341.389 0.809 20 5 ECBDHN COCCN(C)C[C@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000326760690 437235640 /nfs/dbraw/zinc/23/56/40/437235640.db2.gz NUFDMLVORDUAPC-AWEZNQCLSA-N 0 3 335.364 0.792 20 5 ECBDHN CN(CC(=O)NCC1(O)CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000267014751 437279593 /nfs/dbraw/zinc/27/95/93/437279593.db2.gz BZGNSHDGXLJOAX-UHFFFAOYSA-N 0 3 336.392 0.604 20 5 ECBDHN NC(=O)CC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182213768 437341305 /nfs/dbraw/zinc/34/13/05/437341305.db2.gz IPZBPUGLKMHRFJ-CYBMUJFWSA-N 0 3 337.376 0.922 20 5 ECBDHN CNS(=O)(=O)c1ccc(NCCOCCN(C)C)c([N+](=O)[O-])c1 ZINC000354047408 437510256 /nfs/dbraw/zinc/51/02/56/437510256.db2.gz KXSFZTUYQUSMQX-UHFFFAOYSA-N 0 3 346.409 0.493 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082357 437768765 /nfs/dbraw/zinc/76/87/65/437768765.db2.gz TVIKBRDUFLANPY-RYUDHWBXSA-N 0 3 337.380 0.552 20 5 ECBDHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423717222 437811911 /nfs/dbraw/zinc/81/19/11/437811911.db2.gz AEGVDVPGCODLHD-LBPRGKRZSA-N 0 3 334.336 0.509 20 5 ECBDHN CN(CCN)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415874899 437876291 /nfs/dbraw/zinc/87/62/91/437876291.db2.gz BUAOKDBBDNNQHL-UHFFFAOYSA-N 0 3 345.153 0.713 20 5 ECBDHN O=[N+]([O-])c1cnn(CCN2CCC(n3ncc4c3CNC4)CC2)c1 ZINC000424294364 437920050 /nfs/dbraw/zinc/92/00/50/437920050.db2.gz QBEBDUDMOUFJIK-UHFFFAOYSA-N 0 3 331.380 0.928 20 5 ECBDHN C[C@@H]1CC[C@@H](C(N)=O)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348531285 438071001 /nfs/dbraw/zinc/07/10/01/438071001.db2.gz MEMMHOHRPMMBFN-BZPMIXESSA-N 0 3 337.376 0.920 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000358041105 438130295 /nfs/dbraw/zinc/13/02/95/438130295.db2.gz FJWXKUJOSJDSSI-INIZCTEOSA-N 0 3 345.359 0.577 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358066067 438139776 /nfs/dbraw/zinc/13/97/76/438139776.db2.gz MAGUMZHCQGOSRO-AWEZNQCLSA-N 0 3 345.302 0.993 20 5 ECBDHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420456494 438408816 /nfs/dbraw/zinc/40/88/16/438408816.db2.gz AMVXKDMTLGXFLR-QMMMGPOBSA-N 0 3 331.350 0.382 20 5 ECBDHN C[C@]1(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)NC(=O)NC1=O ZINC000437873314 438457487 /nfs/dbraw/zinc/45/74/87/438457487.db2.gz QRQWHLBAGFQFCA-CQSZACIVSA-N 0 3 336.352 0.101 20 5 ECBDHN CN1CCC[C@@H](N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000369358233 438459624 /nfs/dbraw/zinc/45/96/24/438459624.db2.gz KOUCUZYNBZKDBD-CYBMUJFWSA-N 0 3 336.396 0.030 20 5 ECBDHN CCN1CCN([C@@H](C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000353867334 438546316 /nfs/dbraw/zinc/54/63/16/438546316.db2.gz DMIFATAWDHXPHG-ZDUSSCGKSA-N 0 3 338.412 0.324 20 5 ECBDHN CNC(=O)CCOC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000494956460 438714142 /nfs/dbraw/zinc/71/41/42/438714142.db2.gz MLTSVLUYBMVZRM-UHFFFAOYSA-N 0 3 325.369 0.408 20 5 ECBDHN CNc1nc(C(=O)NC[C@@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000455981424 438755781 /nfs/dbraw/zinc/75/57/81/438755781.db2.gz DLDIDQMMIVOQCD-LLVKDONJSA-N 0 3 337.380 0.608 20 5 ECBDHN O=C1CCCN1C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595827314 438868287 /nfs/dbraw/zinc/86/82/87/438868287.db2.gz BQNNYGBFZJXTIH-CYBMUJFWSA-N 0 3 334.376 0.701 20 5 ECBDHN CN1C[C@H]2[C@@H](CCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000590447560 438925589 /nfs/dbraw/zinc/92/55/89/438925589.db2.gz YUZOVHOGOBOMBH-ZFWWWQNUSA-N 0 3 346.387 0.877 20 5 ECBDHN CN1CCC[C@@H](N2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)C1 ZINC000591459468 439016019 /nfs/dbraw/zinc/01/60/19/439016019.db2.gz RJWRZKDNVYITSC-CYBMUJFWSA-N 0 3 347.419 0.910 20 5 ECBDHN COc1cccc2c1OC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000591733839 439077743 /nfs/dbraw/zinc/07/77/43/439077743.db2.gz RQVQXNWWCKVBLF-OCCSQVGLSA-N 0 3 348.359 0.754 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)n1 ZINC000597694203 439161683 /nfs/dbraw/zinc/16/16/83/439161683.db2.gz JUFFXHZZUGLBNF-YPMHNXCESA-N 0 3 337.380 0.746 20 5 ECBDHN C[C@@H]1C[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000592363283 439212997 /nfs/dbraw/zinc/21/29/97/439212997.db2.gz VSIJCAGNRHJEGB-GHMZBOCLSA-N 0 3 329.378 0.640 20 5 ECBDHN COCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCO[C@H]1C ZINC000489447165 439229349 /nfs/dbraw/zinc/22/93/49/439229349.db2.gz KBSGIBGMUKZFTG-UBHSHLNASA-N 0 3 328.369 0.278 20 5 ECBDHN Cc1cc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc([N+](=O)[O-])c1 ZINC000598188524 439238049 /nfs/dbraw/zinc/23/80/49/439238049.db2.gz UWYVONIMZPPJDV-UHFFFAOYSA-N 0 3 336.392 0.995 20 5 ECBDHN O=C(CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCNCC1 ZINC000581878609 439258946 /nfs/dbraw/zinc/25/89/46/439258946.db2.gz SINDLFOWYHRZDJ-QWHCGFSZSA-N 0 3 336.396 0.296 20 5 ECBDHN CN(CCN1CCCC1)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598596222 439285346 /nfs/dbraw/zinc/28/53/46/439285346.db2.gz XRXYEFHCBAWJIT-UHFFFAOYSA-N 0 3 336.396 0.753 20 5 ECBDHN Cc1ccc(S(=O)(=O)NC[C@H]2CNCCO2)c(C)c1[N+](=O)[O-] ZINC000598715759 439308418 /nfs/dbraw/zinc/30/84/18/439308418.db2.gz SZSUIUALDMANIU-LLVKDONJSA-N 0 3 329.378 0.478 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593234127 439354677 /nfs/dbraw/zinc/35/46/77/439354677.db2.gz FHGDMUPHOZELGO-UHFFFAOYSA-N 0 3 334.376 0.749 20 5 ECBDHN NC(=O)c1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000571909086 439540589 /nfs/dbraw/zinc/54/05/89/439540589.db2.gz VFVXDAYGXZGETK-LBPRGKRZSA-N 0 3 346.343 0.618 20 5 ECBDHN CN(C)CCn1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cn1 ZINC000608839667 439548257 /nfs/dbraw/zinc/54/82/57/439548257.db2.gz RZASNTMSDDJYJR-UHFFFAOYSA-N 0 3 335.368 0.923 20 5 ECBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594393361 439554503 /nfs/dbraw/zinc/55/45/03/439554503.db2.gz LDQJFMFPVBRTNT-WDEREUQCSA-N 0 3 331.332 0.362 20 5 ECBDHN CNc1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599936805 439579710 /nfs/dbraw/zinc/57/97/10/439579710.db2.gz CANBKGUETCHHSZ-OLZOCXBDSA-N 0 3 334.376 0.918 20 5 ECBDHN N[C@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CCN2C1=O ZINC000594694432 439592169 /nfs/dbraw/zinc/59/21/69/439592169.db2.gz PZVOXKVQWIURQX-UWVGGRQHSA-N 0 3 342.302 0.944 20 5 ECBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC(N2CCCOCC2)CC1 ZINC000600006671 439593153 /nfs/dbraw/zinc/59/31/53/439593153.db2.gz BJJLKOYKGCREJR-UHFFFAOYSA-N 0 3 337.380 0.505 20 5 ECBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCOC2(CNC2)C1 ZINC000572856310 439614234 /nfs/dbraw/zinc/61/42/34/439614234.db2.gz NTFREAQLNXXFSD-UHFFFAOYSA-N 0 3 336.348 0.357 20 5 ECBDHN COCCNC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610447595 439616743 /nfs/dbraw/zinc/61/67/43/439616743.db2.gz OUXDSJZJTVIXNT-UHFFFAOYSA-N 0 3 325.369 0.266 20 5 ECBDHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595122058 439657463 /nfs/dbraw/zinc/65/74/63/439657463.db2.gz PUAOODOIJAKNPZ-MRVPVSSYSA-N 0 3 331.350 0.252 20 5 ECBDHN CN(CCC[NH+](C)C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594822194 439622250 /nfs/dbraw/zinc/62/22/50/439622250.db2.gz SBZHDSYJOYGSHJ-UHFFFAOYSA-N 0 3 345.425 0.152 20 5 ECBDHN COC(=O)COc1ccc(CNC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600775191 439700743 /nfs/dbraw/zinc/70/07/43/439700743.db2.gz LOHANYFCAGFNAE-LBPRGKRZSA-N 0 3 339.348 0.225 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN2CC[C@H](O)C2)c1 ZINC000600808686 439703980 /nfs/dbraw/zinc/70/39/80/439703980.db2.gz PBXYLMZMPWMNMH-ZDUSSCGKSA-N 0 3 337.376 0.855 20 5 ECBDHN CN(C)CCOc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000345289479 321181912 /nfs/dbraw/zinc/18/19/12/321181912.db2.gz DDBKTPDCAVNQSI-UHFFFAOYSA-N 0 3 334.336 0.765 20 5 ECBDHN C[C@](CO)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000347724732 321248701 /nfs/dbraw/zinc/24/87/01/321248701.db2.gz VENAVDSMXGADBE-HUUCEWRRSA-N 0 3 336.348 0.355 20 5 ECBDHN CN(C)C[C@H](O)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353499838 321395742 /nfs/dbraw/zinc/39/57/42/321395742.db2.gz DOGLEGLURRNEPB-HUUCEWRRSA-N 0 3 333.392 0.930 20 5 ECBDHN CN(C)CCOc1cnccc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000356455199 321532025 /nfs/dbraw/zinc/53/20/25/321532025.db2.gz GAHNPBFBXSRORX-UHFFFAOYSA-N 0 3 348.363 0.443 20 5 ECBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531887553 322047475 /nfs/dbraw/zinc/04/74/75/322047475.db2.gz HEXRWRXNDZRVOV-AWEZNQCLSA-N 0 3 349.391 0.662 20 5 ECBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531888448 322047558 /nfs/dbraw/zinc/04/75/58/322047558.db2.gz QDZGQXGLQQAHGT-CYBMUJFWSA-N 0 3 335.408 0.993 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000566495825 322538738 /nfs/dbraw/zinc/53/87/38/322538738.db2.gz KSSOBJRANRMIAO-ZWNOBZJWSA-N 0 3 348.359 0.378 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])CCN2C1=O ZINC000569355534 322651723 /nfs/dbraw/zinc/65/17/23/322651723.db2.gz PWSUAILHMQBVGR-ZYHUDNBSSA-N 0 3 327.344 0.891 20 5 ECBDHN CC(C)N1CC[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000569715967 322662943 /nfs/dbraw/zinc/66/29/43/322662943.db2.gz XCYKOTWKOJSMIS-CHWSQXEVSA-N 0 3 337.376 0.933 20 5 ECBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC(=O)N1CCNCC1 ZINC000571431233 322721394 /nfs/dbraw/zinc/72/13/94/322721394.db2.gz KCWUICWPEWQXTK-LBPRGKRZSA-N 0 3 349.391 0.333 20 5 ECBDHN CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C1(CN)CCC1 ZINC000577365609 322832678 /nfs/dbraw/zinc/83/26/78/322832678.db2.gz XWJZUYZHVPGEGZ-UHFFFAOYSA-N 0 3 341.389 0.952 20 5 ECBDHN CC(C)(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)n1cc([N+](=O)[O-])cn1 ZINC000726531581 578143023 /nfs/dbraw/zinc/14/30/23/578143023.db2.gz LXCUHJQPSKKFCD-WCQYABFASA-N 0 3 337.380 0.506 20 5 ECBDHN O=C1NC(=O)[C@@]2(CCCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000789380298 578853050 /nfs/dbraw/zinc/85/30/50/578853050.db2.gz XONOQVVWEKDBAE-DOMZBBRYSA-N 0 3 334.332 0.302 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000762721804 579547033 /nfs/dbraw/zinc/54/70/33/579547033.db2.gz OCKRFVGCPMETNS-KRWDZBQOSA-N 0 3 348.403 0.991 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCS(=O)(=O)C2)c1 ZINC000746286056 579835421 /nfs/dbraw/zinc/83/54/21/579835421.db2.gz DZAVTUGSRZPATO-JQWIXIFHSA-N 0 3 330.362 0.111 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H](O)c2c(F)cccc2F)c1 ZINC000843086914 589049890 /nfs/dbraw/zinc/04/98/90/589049890.db2.gz JPDWVGIIILOERC-ZWNOBZJWSA-N 0 3 342.302 0.754 20 5 ECBDHN CN1CCN(C)CC(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000907138927 587017482 /nfs/dbraw/zinc/01/74/82/587017482.db2.gz FPYGJCDJROKJHG-UHFFFAOYSA-N 0 3 332.404 0.973 20 5 ECBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000808222025 587149834 /nfs/dbraw/zinc/14/98/34/587149834.db2.gz JKJJKJOGYXMRMO-SECBINFHSA-N 0 3 326.328 0.503 20 5 ECBDHN CC(COC(=O)c1ccc(CCNS(C)(=O)=O)cc1)[N+](=O)[O-] ZINC000813106443 587248555 /nfs/dbraw/zinc/24/85/55/587248555.db2.gz CDRAMNMSQTVOEI-SNVBAGLBSA-N 0 3 330.362 0.600 20 5 ECBDHN CCS(=O)(=O)N[C@H](CCSC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112671 587248581 /nfs/dbraw/zinc/24/85/81/587248581.db2.gz SMYDJSAWKKPCRB-DTWKUNHWSA-N 0 3 328.412 0.256 20 5 ECBDHN CC(C)NS(=O)(=O)NCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819264525 587474802 /nfs/dbraw/zinc/47/48/02/587474802.db2.gz WMXQYUUPEADMCZ-ZDUSSCGKSA-N 0 3 346.409 0.050 20 5 ECBDHN COC(=O)c1cn(CCNC[C@H](O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000819296940 587475773 /nfs/dbraw/zinc/47/57/73/587475773.db2.gz GPDVYWBWNLWHCG-ZDUSSCGKSA-N 0 3 335.320 0.296 20 5 ECBDHN O=C(N[C@@H](CO)CN1CCCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000840452504 587581503 /nfs/dbraw/zinc/58/15/03/587581503.db2.gz ICBGXZUCEMFARK-HIFRSBDPSA-N 0 3 337.376 0.591 20 5 ECBDHN C[N@H+](C[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000821595089 587604054 /nfs/dbraw/zinc/60/40/54/587604054.db2.gz MIOFLOQXYNICLZ-LLVKDONJSA-N 0 3 334.336 0.609 20 5 ECBDHN C[N@@H+](C[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000821595089 587604055 /nfs/dbraw/zinc/60/40/55/587604055.db2.gz MIOFLOQXYNICLZ-LLVKDONJSA-N 0 3 334.336 0.609 20 5 ECBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856097576 589654312 /nfs/dbraw/zinc/65/43/12/589654312.db2.gz CNIDVXGZCCXDPZ-JKSUJKDBSA-N 0 3 349.387 0.998 20 5 ECBDHN COCCN(CC1CCN(C)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000869762860 589977143 /nfs/dbraw/zinc/97/71/43/589977143.db2.gz SPODDNARCVCPOR-UHFFFAOYSA-N 0 3 339.396 0.759 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000932714444 611658417 /nfs/dbraw/zinc/65/84/17/611658417.db2.gz IEAJRWIEOSHJMM-GFCCVEGCSA-N 0 3 338.412 0.099 20 5 ECBDHN Cn1c(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nnc1-c1ccccc1 ZINC001126936486 756762048 /nfs/dbraw/zinc/76/20/48/756762048.db2.gz KTVOXHCGDZZOAP-CHWSQXEVSA-N 0 3 344.375 0.353 20 5 ECBDHN Cc1noc(CN2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C3)n1 ZINC001048524909 760662266 /nfs/dbraw/zinc/66/22/66/760662266.db2.gz FIVURBNQZGBWTO-XVIXHAIJSA-N 0 3 349.391 0.902 20 5 ECBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000420020362 209279375 /nfs/dbraw/zinc/27/93/75/209279375.db2.gz SEDCCQXMWGPRHZ-HNNXBMFYSA-N 0 3 339.348 0.756 20 5 ECBDHN CN(C)CCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000356882300 299465691 /nfs/dbraw/zinc/46/56/91/299465691.db2.gz YDPYVCKAUQTAMN-UHFFFAOYSA-N 0 3 334.376 0.877 20 5 ECBDHN CC[C@@H](COC)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161971411 206378746 /nfs/dbraw/zinc/37/87/46/206378746.db2.gz BNUIVDBZTQLPOL-NSHDSACASA-N 0 3 331.394 0.888 20 5 ECBDHN COC(=O)[C@H]1CC12CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000266563087 248361392 /nfs/dbraw/zinc/36/13/92/248361392.db2.gz YKUNVXIOAJKHDE-QWHCGFSZSA-N 0 3 338.364 0.427 20 5 ECBDHN COCCCNC(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176215726 207202846 /nfs/dbraw/zinc/20/28/46/207202846.db2.gz NNMQJVXFZLZZPU-UHFFFAOYSA-N 0 3 339.396 0.656 20 5 ECBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCOCCN(C)C)c1F ZINC000412255112 208215647 /nfs/dbraw/zinc/21/56/47/208215647.db2.gz ZEYZOQZBWOGCTR-UHFFFAOYSA-N 0 3 343.355 0.979 20 5 ECBDHN COc1cnccc1N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000358268953 299706752 /nfs/dbraw/zinc/70/67/52/299706752.db2.gz BBQRSYVUXXOTLJ-UHFFFAOYSA-N 0 3 332.320 0.684 20 5 ECBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000301717749 296890064 /nfs/dbraw/zinc/89/00/64/296890064.db2.gz LASMDTZBFFNJFO-LLVKDONJSA-N 0 3 335.364 0.754 20 5 ECBDHN CN(C)CCn1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)ccc1=O ZINC000270305593 263234260 /nfs/dbraw/zinc/23/42/60/263234260.db2.gz ZDUJTCHJULIAEB-UHFFFAOYSA-N 0 3 334.336 0.153 20 5 ECBDHN CS[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H]1N(C)C ZINC000270451209 263243000 /nfs/dbraw/zinc/24/30/00/263243000.db2.gz JJEPWEHZMIYXPI-NEPJUHHUSA-N 0 3 341.437 0.994 20 5 ECBDHN O=C1NC(=O)C2(CCN(CCOc3ccccc3[N+](=O)[O-])CC2)N1 ZINC000270476838 263244894 /nfs/dbraw/zinc/24/48/94/263244894.db2.gz DAVMZVMALVASTN-UHFFFAOYSA-N 0 3 334.332 0.648 20 5 ECBDHN CN1C(=O)NC2(CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000270950137 263288060 /nfs/dbraw/zinc/28/80/60/263288060.db2.gz SRTBQGDNLCRABF-UHFFFAOYSA-N 0 3 348.359 0.990 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCO)[C@H]1CCCSC1 ZINC000433189794 280394700 /nfs/dbraw/zinc/39/47/00/280394700.db2.gz DQNPIMVBCWDUFQ-ZDUSSCGKSA-N 0 3 327.406 0.946 20 5 ECBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000354398340 437606554 /nfs/dbraw/zinc/60/65/54/437606554.db2.gz GIBZSODEWFVDGX-NSHDSACASA-N 0 3 336.396 0.328 20 5 ECBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000331877028 296977279 /nfs/dbraw/zinc/97/72/79/296977279.db2.gz HHXYVSDEHSHJOF-UHFFFAOYSA-N 0 3 336.348 0.568 20 5 ECBDHN Cc1nn(C)c(NC2CCN(CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000344438364 298020288 /nfs/dbraw/zinc/02/02/88/298020288.db2.gz HIBJBUYRSDJXKH-UHFFFAOYSA-N 0 3 338.412 0.991 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000346177904 298233223 /nfs/dbraw/zinc/23/32/23/298233223.db2.gz AKOKSKAZLIZSTK-YPMHNXCESA-N 0 3 348.363 0.902 20 5 ECBDHN CN(C)CCOCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352645673 298957196 /nfs/dbraw/zinc/95/71/96/298957196.db2.gz QTQHACRQHHLEJD-UHFFFAOYSA-N 0 3 325.321 0.632 20 5 ECBDHN CSC1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCN(C)CC1 ZINC000362189492 300168908 /nfs/dbraw/zinc/16/89/08/300168908.db2.gz LDGMGLNXWKDFAM-UHFFFAOYSA-N 0 3 328.398 0.130 20 5 ECBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCN(C2CCOCC2)CC1 ZINC000364628102 300373875 /nfs/dbraw/zinc/37/38/75/300373875.db2.gz ITTPLUHKQDNUPY-UHFFFAOYSA-N 0 3 337.380 0.505 20 5 ECBDHN COC[C@H](C)OC[C@H](O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375731538 301203478 /nfs/dbraw/zinc/20/34/78/301203478.db2.gz OCBMBVMVRGSIOC-GZBFAFLISA-N 0 3 342.396 0.841 20 5 ECBDHN CN(CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000067282716 436709781 /nfs/dbraw/zinc/70/97/81/436709781.db2.gz XWGFTFRSSRONQR-UHFFFAOYSA-N 0 3 348.359 0.531 20 5 ECBDHN CCN(CCO)CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000274531627 436839349 /nfs/dbraw/zinc/83/93/49/436839349.db2.gz ISKSUGGEVVGBCU-UHFFFAOYSA-N 0 3 341.364 0.656 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000135535813 436919021 /nfs/dbraw/zinc/91/90/21/436919021.db2.gz WLKXVEGLVRZANR-AGIUHOORSA-N 0 3 328.394 0.359 20 5 ECBDHN CN1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000263740434 436982759 /nfs/dbraw/zinc/98/27/59/436982759.db2.gz GRBVYZDQMSQFBH-UHFFFAOYSA-N 0 3 336.348 0.900 20 5 ECBDHN CCN(CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000263763055 436984915 /nfs/dbraw/zinc/98/49/15/436984915.db2.gz RMGIADYOHLWDSK-UHFFFAOYSA-N 0 3 334.376 0.925 20 5 ECBDHN CN(CCNC(=O)OC(C)(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000297504635 437009637 /nfs/dbraw/zinc/00/96/37/437009637.db2.gz VGRYCAAPJHJMFS-GFCCVEGCSA-N 0 3 343.384 0.609 20 5 ECBDHN CCN1CCN([C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178199364 437208968 /nfs/dbraw/zinc/20/89/68/437208968.db2.gz XCCZIKHDMDNQOM-LBPRGKRZSA-N 0 3 335.408 0.933 20 5 ECBDHN COCC[NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000179380081 437261727 /nfs/dbraw/zinc/26/17/27/437261727.db2.gz PNRMYILCKQIFAR-UHFFFAOYSA-N 0 3 337.785 0.763 20 5 ECBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000278937417 437358313 /nfs/dbraw/zinc/35/83/13/437358313.db2.gz XATUDOXKWICLLN-LBPRGKRZSA-N 0 3 337.380 0.503 20 5 ECBDHN O=C(C[C@@H]1CNCCO1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269186094 437464479 /nfs/dbraw/zinc/46/44/79/437464479.db2.gz IDAXBFRYAWVUEP-OAHLLOKOSA-N 0 3 334.376 0.622 20 5 ECBDHN CN1CCN(CC2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC000330618252 437569252 /nfs/dbraw/zinc/56/92/52/437569252.db2.gz YDBUKZTVSCQYQQ-UHFFFAOYSA-N 0 3 336.396 0.418 20 5 ECBDHN COCCCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCN(C)CC1 ZINC000291923925 437641391 /nfs/dbraw/zinc/64/13/91/437641391.db2.gz VKLWMBVWGXDCAW-UHFFFAOYSA-N 0 3 325.369 0.891 20 5 ECBDHN C[C@H]1CN(CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000347171016 437845850 /nfs/dbraw/zinc/84/58/50/437845850.db2.gz UKSFNGHZJLFUGY-LBPRGKRZSA-N 0 3 325.369 0.408 20 5 ECBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CCN(C)CC1 ZINC000371341308 437922380 /nfs/dbraw/zinc/92/23/80/437922380.db2.gz NCORBFBJNXMXCC-GDBMZVCRSA-N 0 3 336.440 0.749 20 5 ECBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000347525193 437903427 /nfs/dbraw/zinc/90/34/27/437903427.db2.gz PHDKMWYXNLXWKC-LBPRGKRZSA-N 0 3 338.412 0.332 20 5 ECBDHN Cc1c(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000358095733 438151841 /nfs/dbraw/zinc/15/18/41/438151841.db2.gz QOKQZAKRDFEKJV-HNNXBMFYSA-N 0 3 336.348 0.025 20 5 ECBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[C@@H]1N1CCN(C)CC1 ZINC000374311689 438201335 /nfs/dbraw/zinc/20/13/35/438201335.db2.gz POSCYBFONBFITI-NEPJUHHUSA-N 0 3 335.412 0.429 20 5 ECBDHN COc1ccc(CNC(=O)C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000418952196 438261760 /nfs/dbraw/zinc/26/17/60/438261760.db2.gz VIYDOXZFSGCAQI-UHFFFAOYSA-N 0 3 336.348 0.042 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCCO2)cc1C ZINC000390277766 438431496 /nfs/dbraw/zinc/43/14/96/438431496.db2.gz ZKJYESGTAXMBKP-LBPRGKRZSA-N 0 3 343.405 0.868 20 5 ECBDHN CC(C)C(=O)NC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438834078 438487103 /nfs/dbraw/zinc/48/71/03/438487103.db2.gz RAAJIBIECIPCRU-AWEZNQCLSA-N 0 3 339.396 0.389 20 5 ECBDHN [NH3+][C@H]1CCC[C@@H]1NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979030 438623805 /nfs/dbraw/zinc/62/38/05/438623805.db2.gz IQVRATVKBOGKJD-QWRGUYRKSA-N 0 3 328.394 0.343 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000493545530 438633013 /nfs/dbraw/zinc/63/30/13/438633013.db2.gz CSVVNMRORIHBNW-VTUYONSCSA-N 0 3 330.344 0.378 20 5 ECBDHN Cc1nc(NCC2(N3CCOCC3)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000413479826 438694716 /nfs/dbraw/zinc/69/47/16/438694716.db2.gz KQMKLYVTXQAZOR-UHFFFAOYSA-N 0 3 349.435 1.507 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCN1CCO ZINC000452391082 438659293 /nfs/dbraw/zinc/65/92/93/438659293.db2.gz PLEPUTGUMUVFJT-AWEZNQCLSA-N 0 3 337.376 0.937 20 5 ECBDHN COCCCN1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000547758058 438719940 /nfs/dbraw/zinc/71/99/40/438719940.db2.gz RIPVVBVFHNMRHV-UHFFFAOYSA-N 0 3 337.380 0.803 20 5 ECBDHN O=C1CCCN1C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595833130 438868245 /nfs/dbraw/zinc/86/82/45/438868245.db2.gz RZQGDUWHLVFGTI-TZMCWYRMSA-N 0 3 337.380 0.097 20 5 ECBDHN CSC[C@H](O)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000578232417 438907727 /nfs/dbraw/zinc/90/77/27/438907727.db2.gz SAMKJMCVGAVBRE-LLVKDONJSA-N 0 3 349.434 0.187 20 5 ECBDHN CN(C)CCCS(=O)(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000601389465 438870159 /nfs/dbraw/zinc/87/01/59/438870159.db2.gz IQIXCRHGWCCYSL-UHFFFAOYSA-N 0 3 328.394 0.629 20 5 ECBDHN NS(=O)(=O)c1cc(N[C@H]2CCN(C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000596091204 438924077 /nfs/dbraw/zinc/92/40/77/438924077.db2.gz YEPTUSNAXHMECO-VIFPVBQESA-N 0 3 326.378 0.891 20 5 ECBDHN COC(=O)c1cc(C(=O)N2CCOC3(CNC3)C2)cc([N+](=O)[O-])c1 ZINC000596097237 438925673 /nfs/dbraw/zinc/92/56/73/438925673.db2.gz GNNWWOWPYPNYBN-UHFFFAOYSA-N 0 3 335.316 0.196 20 5 ECBDHN CN(C)CCOc1cc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])ccn1 ZINC000565728529 438976319 /nfs/dbraw/zinc/97/63/19/438976319.db2.gz VJNUAHYYEHKMAG-UHFFFAOYSA-N 0 3 334.336 0.583 20 5 ECBDHN CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](CN)C1 ZINC000579474680 439010617 /nfs/dbraw/zinc/01/06/17/439010617.db2.gz IRSYZVNHSRBWQJ-LBPRGKRZSA-N 0 3 326.784 0.892 20 5 ECBDHN C[C@H](CS(C)(=O)=O)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566118231 439006446 /nfs/dbraw/zinc/00/64/46/439006446.db2.gz YKKRVXYKYIYKJB-MNOVXSKESA-N 0 3 332.378 0.357 20 5 ECBDHN C[C@H]1CCN(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000519576504 439043166 /nfs/dbraw/zinc/04/31/66/439043166.db2.gz UZAPZWBGAYIRSA-LBPRGKRZSA-N 0 3 334.376 0.783 20 5 ECBDHN CN1CCC[C@H](N2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)C1 ZINC000591459469 439016722 /nfs/dbraw/zinc/01/67/22/439016722.db2.gz RJWRZKDNVYITSC-ZDUSSCGKSA-N 0 3 347.419 0.910 20 5 ECBDHN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000602485779 439098637 /nfs/dbraw/zinc/09/86/37/439098637.db2.gz ZKVKOHCKOBIWBB-UKRRQHHQSA-N 0 3 336.440 0.786 20 5 ECBDHN CN1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](CN)C1 ZINC000567047107 439108634 /nfs/dbraw/zinc/10/86/34/439108634.db2.gz KHFYLMUHVVFMIQ-LLVKDONJSA-N 0 3 345.359 0.564 20 5 ECBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]CC1(O)CCC1 ZINC000591742888 439079899 /nfs/dbraw/zinc/07/98/99/439079899.db2.gz QOBNRVDHOCWICR-UHFFFAOYSA-N 0 3 329.378 0.378 20 5 ECBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(CCN(C)C)CCN(C)C ZINC000602951876 439167057 /nfs/dbraw/zinc/16/70/57/439167057.db2.gz KKLYDIONMSXVFI-UHFFFAOYSA-N 0 3 338.412 0.677 20 5 ECBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000592338067 439209079 /nfs/dbraw/zinc/20/90/79/439209079.db2.gz MVCINZUQMLDFLJ-GARJFASQSA-N 0 3 342.375 0.643 20 5 ECBDHN Nc1nccc(C(=O)NCC2(N3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000581734716 439248507 /nfs/dbraw/zinc/24/85/07/439248507.db2.gz URSCNKUQYNLMGF-UHFFFAOYSA-N 0 3 349.391 0.947 20 5 ECBDHN CN1CCC2(CC1)CN(C(=O)CCn1cc([N+](=O)[O-])cn1)CCO2 ZINC000592898279 439300691 /nfs/dbraw/zinc/30/06/91/439300691.db2.gz DKONPWHCHPZDLQ-UHFFFAOYSA-N 0 3 337.380 0.505 20 5 ECBDHN Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c(C)c1[N+](=O)[O-] ZINC000598716251 439308489 /nfs/dbraw/zinc/30/84/89/439308489.db2.gz DXXZVJXXDSQDRR-GFCCVEGCSA-N 0 3 342.421 0.475 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](CO)CN1CCCC1 ZINC000583871905 439522442 /nfs/dbraw/zinc/52/24/42/439522442.db2.gz HYNUOGPNGHUWIL-KBPBESRZSA-N 0 3 339.392 0.381 20 5 ECBDHN Cc1noc([C@@H]2OCC[C@@H]2NCCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000599682113 439536135 /nfs/dbraw/zinc/53/61/35/439536135.db2.gz CLKVFJVPFVJZGT-WCQYABFASA-N 0 3 335.320 0.568 20 5 ECBDHN CNc1c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000594359979 439547920 /nfs/dbraw/zinc/54/79/20/439547920.db2.gz WCBPBKYDMIIDNK-JTQLQIEISA-N 0 3 337.380 0.433 20 5 ECBDHN COc1ccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594077919 439514745 /nfs/dbraw/zinc/51/47/45/439514745.db2.gz BSZMXBNZCZLERH-NWDGAFQWSA-N 0 3 336.348 0.886 20 5 ECBDHN N[C@@H]1C[C@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)CCN2C1=O ZINC000594702759 439593364 /nfs/dbraw/zinc/59/33/64/439593364.db2.gz XGHNABXNDCTHIP-IONNQARKSA-N 0 3 334.361 0.348 20 5 ECBDHN N[C@H]1C[C@@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000594736409 439599754 /nfs/dbraw/zinc/59/97/54/439599754.db2.gz GBBXLHGQZSOBRF-NEPJUHHUSA-N 0 3 348.359 0.110 20 5 ECBDHN CN(C)C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc2O1 ZINC000610761994 439645087 /nfs/dbraw/zinc/64/50/87/439645087.db2.gz RZBCIJFJWHSIMW-NSHDSACASA-N 0 3 346.347 0.542 20 5 ECBDHN COCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[NH2+]CC1 ZINC000595111396 439654139 /nfs/dbraw/zinc/65/41/39/439654139.db2.gz JQXHUZROMGXWJM-UHFFFAOYSA-N 0 3 344.393 0.284 20 5 ECBDHN C[S@](=O)C1(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000573597024 439654432 /nfs/dbraw/zinc/65/44/32/439654432.db2.gz PYRLSYVQZHLXRU-IPQOISQHSA-N 0 3 328.390 0.835 20 5 ECBDHN Cn1c(=O)oc2ccc(CNC[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000600758978 439700984 /nfs/dbraw/zinc/70/09/84/439700984.db2.gz XYCSLRPDSJLTBU-LBPRGKRZSA-N 0 3 347.331 0.387 20 5 ECBDHN Cc1c(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595230195 439677017 /nfs/dbraw/zinc/67/70/17/439677017.db2.gz MFXBWNSUNBVIEY-MNOVXSKESA-N 0 3 333.348 0.679 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCn2cncn2)cc1 ZINC000612029845 439743681 /nfs/dbraw/zinc/74/36/81/439743681.db2.gz GYUIIZBLLSNQAR-UHFFFAOYSA-N 0 3 339.377 0.640 20 5 ECBDHN COC[C@H](C)C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000187912687 320538097 /nfs/dbraw/zinc/53/80/97/320538097.db2.gz GRKXJKFXMPCNRZ-LLVKDONJSA-N 0 3 331.394 0.745 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000282569389 320610173 /nfs/dbraw/zinc/61/01/73/320610173.db2.gz AEXYIWAPVLXNLT-UHFFFAOYSA-N 0 3 339.371 0.636 20 5 ECBDHN COC(=O)COc1ccc(CN[C@@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000353768462 321413671 /nfs/dbraw/zinc/41/36/71/321413671.db2.gz OCLWQHUQVONOFB-NSHDSACASA-N 0 3 349.347 0.916 20 5 ECBDHN CN(C)CCOc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)ccn1 ZINC000361545153 321615008 /nfs/dbraw/zinc/61/50/08/321615008.db2.gz ZSOBBEKWBASNMH-UHFFFAOYSA-N 0 3 334.336 0.916 20 5 ECBDHN O=C(NCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccn[nH]1 ZINC000566132023 322504502 /nfs/dbraw/zinc/50/45/02/322504502.db2.gz IZYJQBQROFLVOI-GFCCVEGCSA-N 0 3 349.347 0.077 20 5 ECBDHN O=C(CNC[C@H]1CCCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000567665791 322591438 /nfs/dbraw/zinc/59/14/38/322591438.db2.gz RCEUOOBKUXBFKY-CQSZACIVSA-N 0 3 349.391 0.407 20 5 ECBDHN CCN(CCO)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000183988912 528547443 /nfs/dbraw/zinc/54/74/43/528547443.db2.gz IUUSDILRFBMWMA-UHFFFAOYSA-N 0 3 347.375 0.825 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCSC3(CCOCC3)C2)c1 ZINC000186844117 545898074 /nfs/dbraw/zinc/89/80/74/545898074.db2.gz DKXOUDWITCBTHN-ZDUSSCGKSA-N 0 3 342.421 0.750 20 5 ECBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCN(C)C ZINC000751535704 579370838 /nfs/dbraw/zinc/37/08/38/579370838.db2.gz MBJQGZQVWUCVNW-UHFFFAOYSA-N 0 3 325.321 0.473 20 5 ECBDHN C[C@@H](OC(=O)C1CCN(C)C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000772529515 579209577 /nfs/dbraw/zinc/20/95/77/579209577.db2.gz CWSHVUYFXHQYKL-SKDRFNHKSA-N 0 3 335.316 0.943 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000762714747 579546672 /nfs/dbraw/zinc/54/66/72/579546672.db2.gz CWBMDXUNSWRRJL-ZBFHGGJFSA-N 0 3 348.359 0.271 20 5 ECBDHN COc1ccccc1[C@H](O)CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743260344 579796087 /nfs/dbraw/zinc/79/60/87/579796087.db2.gz BJJATHXTVXYHPU-GXTWGEPZSA-N 0 3 336.348 0.484 20 5 ECBDHN CN1CCC(O)(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000747412397 579851966 /nfs/dbraw/zinc/85/19/66/579851966.db2.gz NMQWRQTYUBMCMX-UHFFFAOYSA-N 0 3 347.375 0.517 20 5 ECBDHN CN1CCC(CCO)(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801947088 587006535 /nfs/dbraw/zinc/00/65/35/587006535.db2.gz REDHOZWWMSYPLN-UHFFFAOYSA-N 0 3 340.355 0.893 20 5 ECBDHN CC(COC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)[N+](=O)[O-] ZINC000813109077 587248499 /nfs/dbraw/zinc/24/84/99/587248499.db2.gz DXGSGNXRLACHDB-IMSIIYSGSA-N 0 3 327.337 0.696 20 5 ECBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)N(C)C ZINC000813108027 587248506 /nfs/dbraw/zinc/24/85/06/587248506.db2.gz UCISRQPJZYBSHT-SECBINFHSA-N 0 3 346.361 0.768 20 5 ECBDHN COC(=O)c1cn(CCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000819296642 587475698 /nfs/dbraw/zinc/47/56/98/587475698.db2.gz AWBBLAUVYZRWCQ-CYBMUJFWSA-N 0 3 335.320 0.296 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000855696853 589642252 /nfs/dbraw/zinc/64/22/52/589642252.db2.gz GPJZVDKJOHWYSK-UHFFFAOYSA-N 0 3 337.380 0.269 20 5 ECBDHN COCCN1CCC[C@H]1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000861035336 589821017 /nfs/dbraw/zinc/82/10/17/589821017.db2.gz ZRTFEWVJPAONPC-LBPRGKRZSA-N 0 3 326.353 0.835 20 5 ECBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000867811220 589846894 /nfs/dbraw/zinc/84/68/94/589846894.db2.gz AWUNUWBYCYMTFB-GHMZBOCLSA-N 0 3 326.378 0.705 20 5 ECBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000876470563 590377717 /nfs/dbraw/zinc/37/77/17/590377717.db2.gz DIWRIIIMVIZYIL-OAHLLOKOSA-N 0 3 340.380 0.353 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]2OCCN[C@H]2C1 ZINC000923384380 611235814 /nfs/dbraw/zinc/23/58/14/611235814.db2.gz GNYSLASIOMHCJJ-IPYPFGDCSA-N 0 3 337.376 0.397 20 5 ECBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CNCCO1 ZINC000842483586 611313338 /nfs/dbraw/zinc/31/33/38/611313338.db2.gz ONVBNQCWMDEBPN-VIFPVBQESA-N 0 3 349.796 0.823 20 5 ECBDHN CNC(=O)CN1CCCC12CCN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001164689834 719750386 /nfs/dbraw/zinc/75/03/86/719750386.db2.gz LGESHGBYEBCYLI-UHFFFAOYSA-N 0 3 348.407 0.874 20 5 ECBDHN CCCn1cc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)cn1 ZINC001167448477 734392982 /nfs/dbraw/zinc/39/29/82/734392982.db2.gz BIFMXTPIVNDQQA-UHFFFAOYSA-N 0 3 349.395 0.845 20 5 ECBDHN O=C(N[C@@H]1[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21)c1cn[nH]n1 ZINC001025850730 740020745 /nfs/dbraw/zinc/02/07/45/740020745.db2.gz LWXPRVIJGQPUFN-IMRBUKKESA-N 0 3 328.332 0.573 20 5 ECBDHN O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001026138149 740411263 /nfs/dbraw/zinc/41/12/63/740411263.db2.gz YPYKVTOCKYTWRF-VIKVFOODSA-N 0 3 342.359 0.502 20 5 ECBDHN CN(C(=O)CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001000670166 745685464 /nfs/dbraw/zinc/68/54/64/745685464.db2.gz PNMXVVPUWNNTGL-ZIAGYGMSSA-N 0 3 336.392 0.021 20 5 ECBDHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC001059688133 749461065 /nfs/dbraw/zinc/46/10/65/749461065.db2.gz LQGPDCGZULNOOQ-DTORHVGOSA-N 0 3 346.351 0.300 20 5 ECBDHN CN(C)c1cc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccn1 ZINC001031661852 766378719 /nfs/dbraw/zinc/37/87/19/766378719.db2.gz KPXHPPVKKVMUGH-ZIAGYGMSSA-N 0 3 333.392 0.361 20 5 ECBDHN CC(F)(F)C(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055493185 768933816 /nfs/dbraw/zinc/93/38/16/768933816.db2.gz ITYDNRGUDCZDHE-GHMZBOCLSA-N 0 3 348.350 0.004 20 5 ECBDHN CCc1nnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001020139242 772206353 /nfs/dbraw/zinc/20/63/53/772206353.db2.gz VSBBDTKWPREKPW-ZYUZMQFOSA-N 0 3 325.394 0.503 20 5 ECBDHN CCN(CCNC(=O)Cc1nnc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001266428007 835831912 /nfs/dbraw/zinc/83/19/12/835831912.db2.gz ICFGTWQGSHIELP-UHFFFAOYSA-N 0 3 332.364 0.894 20 5 ECBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000183336545 529808874 /nfs/dbraw/zinc/80/88/74/529808874.db2.gz SRFOBRFXVKUCTM-OCCSQVGLSA-N 0 3 336.396 0.917 20 5 ECBDHN CN1CCN(CCCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000104210970 219360608 /nfs/dbraw/zinc/36/06/08/219360608.db2.gz GEIDWBBJSZOLQM-UHFFFAOYSA-N 0 3 335.408 0.760 20 5 ECBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000180942040 234038024 /nfs/dbraw/zinc/03/80/24/234038024.db2.gz QOYGLPDWGNCLIR-RYUDHWBXSA-N 0 3 343.405 0.888 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2C[C@H](C)NC[C@H]2C)ccc1[N+](=O)[O-] ZINC000423511501 209754723 /nfs/dbraw/zinc/75/47/23/209754723.db2.gz TXHSNCQUEHDBHD-NWDGAFQWSA-N 0 3 334.376 0.842 20 5 ECBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000183764491 235219940 /nfs/dbraw/zinc/21/99/40/235219940.db2.gz RRXOQBAKCOVNBA-CYBMUJFWSA-N 0 3 345.359 0.815 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450880294 211348860 /nfs/dbraw/zinc/34/88/60/211348860.db2.gz KQBKALRQFRQARW-MRXNPFEDSA-N 0 3 345.359 0.781 20 5 ECBDHN COC[C@@H]1C[C@H](O)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000411917530 208166721 /nfs/dbraw/zinc/16/67/21/208166721.db2.gz CPLUGDNJBSBCOO-MELADBBJSA-N 0 3 326.349 0.416 20 5 ECBDHN CN(C)C(=O)[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411956206 208178608 /nfs/dbraw/zinc/17/86/08/208178608.db2.gz RCKLCJPIZQFQLG-QWHCGFSZSA-N 0 3 337.376 0.745 20 5 ECBDHN CC[NH2+]CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262727833 165378171 /nfs/dbraw/zinc/37/81/71/165378171.db2.gz BPIPCLXYIQLWDK-UHFFFAOYSA-N 0 3 331.350 0.254 20 5 ECBDHN CSC1(CNC(=O)c2nn(C)cc2[N+](=O)[O-])CCN(C)CC1 ZINC000359258368 299830079 /nfs/dbraw/zinc/83/00/79/299830079.db2.gz JBRKHRFGDKWABI-UHFFFAOYSA-N 0 3 327.410 0.886 20 5 ECBDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331688178 296957345 /nfs/dbraw/zinc/95/73/45/296957345.db2.gz WHGKTSILBMYTIO-ZIAGYGMSSA-N 0 3 346.387 0.988 20 5 ECBDHN COCCN1CCC(NC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000195356413 263171045 /nfs/dbraw/zinc/17/10/45/263171045.db2.gz GEHXLBXYRKPZQD-UHFFFAOYSA-N 0 3 339.396 0.717 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCOCCO ZINC000282310473 264033580 /nfs/dbraw/zinc/03/35/80/264033580.db2.gz GWBRCLIGGBBFPT-UHFFFAOYSA-N 0 3 341.364 0.873 20 5 ECBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184795345 289143506 /nfs/dbraw/zinc/14/35/06/289143506.db2.gz NVNZRLHEEYRWEX-GFCCVEGCSA-N 0 3 337.380 0.755 20 5 ECBDHN CN(C)CCOc1cc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)ccn1 ZINC000354436054 437615973 /nfs/dbraw/zinc/61/59/73/437615973.db2.gz SWTVDABPVITUDR-UHFFFAOYSA-N 0 3 334.336 0.583 20 5 ECBDHN C[C@H](CN(C)C)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000346257393 298243442 /nfs/dbraw/zinc/24/34/42/298243442.db2.gz JKWFNDXOMFNKDP-LLVKDONJSA-N 0 3 337.380 0.460 20 5 ECBDHN O=C1CC2(CN1)CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000075013535 436147421 /nfs/dbraw/zinc/14/74/21/436147421.db2.gz HNMFGNPRPRJLGF-CQSZACIVSA-N 0 3 349.387 0.937 20 5 ECBDHN CC(C)(O)CN1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000372559374 301009451 /nfs/dbraw/zinc/00/94/51/301009451.db2.gz ZQTSNPBFIGFHTP-UHFFFAOYSA-N 0 3 325.369 0.097 20 5 ECBDHN CN(C)CCN1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000376493734 301267674 /nfs/dbraw/zinc/26/76/74/301267674.db2.gz WYJIXKBZSXKMEQ-UHFFFAOYSA-N 0 3 335.408 0.887 20 5 ECBDHN CCCc1n[nH]c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377593344 301363047 /nfs/dbraw/zinc/36/30/47/301363047.db2.gz NNLILDLRTKTGSD-MNOVXSKESA-N 0 3 337.380 0.863 20 5 ECBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC000535727606 302123815 /nfs/dbraw/zinc/12/38/15/302123815.db2.gz IDEKHEDGASVLBE-LBPRGKRZSA-N 0 3 336.396 0.558 20 5 ECBDHN CC(C)c1n[nH]c(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000552028297 302381585 /nfs/dbraw/zinc/38/15/85/302381585.db2.gz UOHSECHHMGZLEM-OAHLLOKOSA-N 0 3 337.380 0.628 20 5 ECBDHN CCCc1n[nH]c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000552082765 302383480 /nfs/dbraw/zinc/38/34/80/302383480.db2.gz BHVHSIRWACTPMN-VIFPVBQESA-N 0 3 340.384 0.067 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@]1(O)CN2CCC1CC2 ZINC000556849890 302452701 /nfs/dbraw/zinc/45/27/01/302452701.db2.gz DWAGBSOWSQGPTJ-MRXNPFEDSA-N 0 3 335.360 0.547 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@]1(O)CN2CCC1CC2 ZINC000556852032 302453107 /nfs/dbraw/zinc/45/31/07/302453107.db2.gz ZXYCMIFGDJYKJL-INIZCTEOSA-N 0 3 335.360 0.547 20 5 ECBDHN CCN1CCN([C@@H](C)CNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068467611 436745762 /nfs/dbraw/zinc/74/57/62/436745762.db2.gz MNTUSUGPEWTZJF-LBPRGKRZSA-N 0 3 338.412 0.242 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)c(Cl)c1 ZINC000237814177 436745847 /nfs/dbraw/zinc/74/58/47/436745847.db2.gz RZQDQRBMEARMMY-UHFFFAOYSA-N 0 3 348.812 0.432 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](OCCO)C1 ZINC000273349879 436748462 /nfs/dbraw/zinc/74/84/62/436748462.db2.gz PBYSQOJXEIFPGW-KBPBESRZSA-N 0 3 340.376 0.808 20 5 ECBDHN CN1CC[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272491548 436717916 /nfs/dbraw/zinc/71/79/16/436717916.db2.gz TYSMSOFEDYEQGB-SWLSCSKDSA-N 0 3 346.387 0.877 20 5 ECBDHN O=C(NCC(F)(F)F)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000275132108 436928027 /nfs/dbraw/zinc/92/80/27/436928027.db2.gz RZTHNOXGWUOVRU-SECBINFHSA-N 0 3 335.286 0.792 20 5 ECBDHN CN1CCN(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1(C)C ZINC000281803881 436998559 /nfs/dbraw/zinc/99/85/59/436998559.db2.gz PJYDLLLBDRSIIA-UHFFFAOYSA-N 0 3 335.408 0.933 20 5 ECBDHN COCCN1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000264568431 437047657 /nfs/dbraw/zinc/04/76/57/437047657.db2.gz RYXSGFZSOIVIQF-JTQLQIEISA-N 0 3 333.348 0.922 20 5 ECBDHN NC(=O)CC[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173625065 437058424 /nfs/dbraw/zinc/05/84/24/437058424.db2.gz ICZSUBJBDSQVIO-YPMHNXCESA-N 0 3 325.369 0.130 20 5 ECBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)CN1CCN(C)CC1 ZINC000176665286 437152603 /nfs/dbraw/zinc/15/26/03/437152603.db2.gz WBTTXMUQVHPLAN-LBPRGKRZSA-N 0 3 335.408 0.790 20 5 ECBDHN O=C([C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCCC1 ZINC000287414734 437187321 /nfs/dbraw/zinc/18/73/21/437187321.db2.gz ORPYRSGMYGVSPZ-ZDUSSCGKSA-N 0 3 334.376 0.701 20 5 ECBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000331993563 437192681 /nfs/dbraw/zinc/19/26/81/437192681.db2.gz YGTRNERTCOZALL-CHWSQXEVSA-N 0 3 334.376 0.842 20 5 ECBDHN CCOC[C@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000980 437204406 /nfs/dbraw/zinc/20/44/06/437204406.db2.gz YRIXANZEQDQWCV-NSHDSACASA-N 0 3 331.394 0.888 20 5 ECBDHN COc1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000323275540 437222216 /nfs/dbraw/zinc/22/22/16/437222216.db2.gz ADSKLUJDEHRCOA-CYBMUJFWSA-N 0 3 347.393 0.194 20 5 ECBDHN COCCNC(=O)[C@H]1CC[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266904462 437263294 /nfs/dbraw/zinc/26/32/94/437263294.db2.gz JHXTUIPZKYQRIP-OLZOCXBDSA-N 0 3 339.396 0.654 20 5 ECBDHN C[C@H]1CN(CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000278379740 437308262 /nfs/dbraw/zinc/30/82/62/437308262.db2.gz CHUGVGHVOBQONR-LBPRGKRZSA-N 0 3 325.369 0.408 20 5 ECBDHN CN(CCN(C)C1CC1)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000184788858 437412512 /nfs/dbraw/zinc/41/25/12/437412512.db2.gz MPGBBRRKCPSXCF-UHFFFAOYSA-N 0 3 328.394 0.773 20 5 ECBDHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354080738 437524174 /nfs/dbraw/zinc/52/41/74/437524174.db2.gz BVBMPCWLOKQHKC-ZDUSSCGKSA-N 0 3 345.359 0.467 20 5 ECBDHN C[C@@H]1OCC[C@H]1N(CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361556055 437670424 /nfs/dbraw/zinc/67/04/24/437670424.db2.gz DZQGGQZHPPVMSG-MELADBBJSA-N 0 3 340.376 0.806 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000366213176 438037818 /nfs/dbraw/zinc/03/78/18/438037818.db2.gz JWELBSZDIVARHY-LBPRGKRZSA-N 0 3 336.396 0.067 20 5 ECBDHN COC(=O)c1cc(C)nc(NCCOCCN(C)C)c1[N+](=O)[O-] ZINC000342918998 438085785 /nfs/dbraw/zinc/08/57/85/438085785.db2.gz RJWJNBYEONSKCM-UHFFFAOYSA-N 0 3 326.353 1.075 20 5 ECBDHN O=C1C[C@]2(CN1)CCCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000342762620 438058403 /nfs/dbraw/zinc/05/84/03/438058403.db2.gz VUBJTKXJPAKXOD-GUYCJALGSA-N 0 3 349.387 0.937 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000358078166 438145086 /nfs/dbraw/zinc/14/50/86/438145086.db2.gz XWCUKJVBOBDYAE-CQSZACIVSA-N 0 3 345.302 0.993 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCC[C@H]1CN ZINC000418945620 438259847 /nfs/dbraw/zinc/25/98/47/438259847.db2.gz NADRUBUDLUQIEN-LBPRGKRZSA-N 0 3 336.348 0.169 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000368419436 438328160 /nfs/dbraw/zinc/32/81/60/438328160.db2.gz KZZGCQOWBJGZDU-UHFFFAOYSA-N 0 3 339.396 0.405 20 5 ECBDHN C[C@H]1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1CN ZINC000419047157 438305357 /nfs/dbraw/zinc/30/53/57/438305357.db2.gz ZRMXOJDAGIOWLK-WFASDCNBSA-N 0 3 348.403 0.839 20 5 ECBDHN [NH3+]C1CC([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000359267486 438397701 /nfs/dbraw/zinc/39/77/01/438397701.db2.gz AAFNYIVUQGMKCU-UHFFFAOYSA-N 0 3 329.334 0.134 20 5 ECBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)CN1CCN(C)CC1 ZINC000359799731 438499986 /nfs/dbraw/zinc/49/99/86/438499986.db2.gz SVUDHMPVLVRDOW-LLVKDONJSA-N 0 3 336.396 0.185 20 5 ECBDHN CN(C)S(=O)(=O)CCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353870102 438546452 /nfs/dbraw/zinc/54/64/52/438546452.db2.gz VRGHNCFGGJAXLB-NEPJUHHUSA-N 0 3 345.425 0.756 20 5 ECBDHN C[C@@H]1CC[NH2+]C[C@H]1NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979796 438623026 /nfs/dbraw/zinc/62/30/26/438623026.db2.gz KGWZKQPEDXBCRQ-VXGBXAGGSA-N 0 3 342.421 0.461 20 5 ECBDHN CNc1nc(C(=O)NCC2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000455982698 438755434 /nfs/dbraw/zinc/75/54/34/438755434.db2.gz LKHNVDNDLIMXAC-UHFFFAOYSA-N 0 3 337.380 0.466 20 5 ECBDHN CNc1nc(C(=O)NCCCN(C)CCOC)ccc1[N+](=O)[O-] ZINC000454692547 438725616 /nfs/dbraw/zinc/72/56/16/438725616.db2.gz BWYBPARCMNNNBK-UHFFFAOYSA-N 0 3 325.369 0.730 20 5 ECBDHN CNc1nc(C(=O)NC2CCN(CCOC)CC2)ccc1[N+](=O)[O-] ZINC000455018904 438736098 /nfs/dbraw/zinc/73/60/98/438736098.db2.gz FRYSHJXSRJRKMX-UHFFFAOYSA-N 0 3 337.380 0.872 20 5 ECBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000575936111 438760917 /nfs/dbraw/zinc/76/09/17/438760917.db2.gz LUWJTXMHSFPVRN-KOLCDFICSA-N 0 3 338.751 0.632 20 5 ECBDHN CCO[C@H]1C[C@@](N)(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000577103962 438815053 /nfs/dbraw/zinc/81/50/53/438815053.db2.gz GSDYNWVRGFXPRE-SMDDNHRTSA-N 0 3 325.369 0.440 20 5 ECBDHN CO[C@@]1(CO)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595661091 438841236 /nfs/dbraw/zinc/84/12/36/438841236.db2.gz IAZZIFWLFZUTTA-HOCLYGCPSA-N 0 3 340.376 0.808 20 5 ECBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000590402419 438918611 /nfs/dbraw/zinc/91/86/11/438918611.db2.gz TUAKHAIBMJYVSS-ZIAGYGMSSA-N 0 3 337.380 0.503 20 5 ECBDHN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCOC2(CNC2)C1 ZINC000596098329 438924463 /nfs/dbraw/zinc/92/44/63/438924463.db2.gz KZYMSJROHIDNQX-UHFFFAOYSA-N 0 3 343.343 0.595 20 5 ECBDHN COc1cc(C(=O)N2CCOC3(CNC3)C2)c([N+](=O)[O-])cc1OC ZINC000596099227 438925007 /nfs/dbraw/zinc/92/50/07/438925007.db2.gz QAIFSDXSCQNOIP-UHFFFAOYSA-N 0 3 337.332 0.426 20 5 ECBDHN COCCN1CC[C@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000517403916 438965230 /nfs/dbraw/zinc/96/52/30/438965230.db2.gz JJEUDYULPOCPNW-ZDUSSCGKSA-N 0 3 337.376 0.983 20 5 ECBDHN O=C1C[C@H](N2C[C@@H]3COC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000601909557 438990106 /nfs/dbraw/zinc/99/01/06/438990106.db2.gz FQMIVHBBOCPNHW-WDMOLILDSA-N 0 3 331.328 0.805 20 5 ECBDHN Cc1ccc(NCCCNC(=O)CN2CCNCC2)c([N+](=O)[O-])c1 ZINC000602455960 439088094 /nfs/dbraw/zinc/08/80/94/439088094.db2.gz UTJKPVJZIQLBMV-UHFFFAOYSA-N 0 3 335.408 0.727 20 5 ECBDHN CCN[C@@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000602444742 439089197 /nfs/dbraw/zinc/08/91/97/439089197.db2.gz NXXKZXMJSJFBRC-JTQLQIEISA-N 0 3 340.405 0.939 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H]2CCCS2(=O)=O)c1 ZINC000566556674 439071456 /nfs/dbraw/zinc/07/14/56/439071456.db2.gz KNKNWSZEFQZGBY-TZMCWYRMSA-N 0 3 344.389 0.501 20 5 ECBDHN N[C@H]1C[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCN2C1=O ZINC000566573016 439074046 /nfs/dbraw/zinc/07/40/46/439074046.db2.gz UWYFDLYJUOVARJ-RYUDHWBXSA-N 0 3 344.327 0.725 20 5 ECBDHN CCN(C)C(=O)[C@@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591763455 439082974 /nfs/dbraw/zinc/08/29/74/439082974.db2.gz HNIMSOAYBWIYSN-DGCLKSJQSA-N 0 3 325.365 0.791 20 5 ECBDHN CN1C(=O)CC[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000566733727 439085304 /nfs/dbraw/zinc/08/53/04/439085304.db2.gz XXWCBYKVFHKPQG-QWRGUYRKSA-N 0 3 337.332 0.072 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000566761047 439086057 /nfs/dbraw/zinc/08/60/57/439086057.db2.gz CEDWGOMBHBZVOI-WFASDCNBSA-N 0 3 337.376 0.907 20 5 ECBDHN CN(C)CCc1cn(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000603192581 439208433 /nfs/dbraw/zinc/20/84/33/439208433.db2.gz OIJSGRRLURUEOR-UHFFFAOYSA-N 0 3 344.375 0.880 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000603495434 439265412 /nfs/dbraw/zinc/26/54/12/439265412.db2.gz YNUQZGGHMGCZFP-WCQYABFASA-N 0 3 344.389 0.359 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H]1CCCS1(=O)=O ZINC000569449675 439332927 /nfs/dbraw/zinc/33/29/27/439332927.db2.gz NQUTUFHAKVHFBK-VXGBXAGGSA-N 0 3 344.389 0.501 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](N)Cc3ccccc32)n1 ZINC000599103968 439359060 /nfs/dbraw/zinc/35/90/60/439359060.db2.gz YACQHXBENMSNMF-JTQLQIEISA-N 0 3 337.361 0.407 20 5 ECBDHN Cc1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000569710155 439356155 /nfs/dbraw/zinc/35/61/55/439356155.db2.gz OOYSFTSGKQEJKW-NWDGAFQWSA-N 0 3 333.348 0.679 20 5 ECBDHN CN1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000582727292 439374726 /nfs/dbraw/zinc/37/47/26/439374726.db2.gz GAPJYSDGVHHCAP-ZDUSSCGKSA-N 0 3 342.421 0.042 20 5 ECBDHN CCOC(=O)C[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599387775 439451841 /nfs/dbraw/zinc/45/18/41/439451841.db2.gz RNKUPAXHDGEWGO-LBPRGKRZSA-N 0 3 326.353 0.742 20 5 ECBDHN COc1ccc(NC(=O)CCN(C)CCNC(C)=O)c([N+](=O)[O-])c1 ZINC000571043259 439470059 /nfs/dbraw/zinc/47/00/59/439470059.db2.gz FSDCEWQODYFTCD-UHFFFAOYSA-N 0 3 338.364 1.000 20 5 ECBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000571102987 439475351 /nfs/dbraw/zinc/47/53/51/439475351.db2.gz YIXHUDWDZJKCBO-NSHDSACASA-N 0 3 336.396 0.328 20 5 ECBDHN Cn1c(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000608861428 439547809 /nfs/dbraw/zinc/54/78/09/439547809.db2.gz VKHHXOTUCVXXEE-GFCCVEGCSA-N 0 3 349.391 0.488 20 5 ECBDHN CCNC(=O)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000572101137 439555641 /nfs/dbraw/zinc/55/56/41/439555641.db2.gz LEIIZYLXNXVKNI-HNNXBMFYSA-N 0 3 347.375 0.692 20 5 ECBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC(=O)N(C)C1 ZINC000572100428 439555776 /nfs/dbraw/zinc/55/57/76/439555776.db2.gz XEEYVCFNHLQGLP-KBPBESRZSA-N 0 3 337.376 0.887 20 5 ECBDHN NC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(F)(F)F ZINC000594450710 439562280 /nfs/dbraw/zinc/56/22/80/439562280.db2.gz SPCMITIZTSMACM-SECBINFHSA-N 0 3 335.238 0.985 20 5 ECBDHN CC(C)(C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000599938933 439580500 /nfs/dbraw/zinc/58/05/00/439580500.db2.gz STKZNWIKTBAVHA-WCQYABFASA-N 0 3 337.380 0.194 20 5 ECBDHN N[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@@H]1c1cccc(F)c1 ZINC000595223842 439675973 /nfs/dbraw/zinc/67/59/73/439675973.db2.gz BQAAQXHMJNVRQP-CHWSQXEVSA-N 0 3 348.338 0.669 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000611834623 439732140 /nfs/dbraw/zinc/73/21/40/439732140.db2.gz ZCJWSKMYTKXDOP-ZDUSSCGKSA-N 0 3 334.376 0.843 20 5 ECBDHN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](CN)C1 ZINC000316582778 320707846 /nfs/dbraw/zinc/70/78/46/320707846.db2.gz MVLCKGMBPJKGMO-JTQLQIEISA-N 0 3 348.812 0.512 20 5 ECBDHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000330612985 320844282 /nfs/dbraw/zinc/84/42/82/320844282.db2.gz RNBJSCNFXYDLBS-RYUDHWBXSA-N 0 3 331.398 0.241 20 5 ECBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000355317128 321498559 /nfs/dbraw/zinc/49/85/59/321498559.db2.gz MGICOBQWJJPCDV-LBPRGKRZSA-N 0 3 325.369 0.361 20 5 ECBDHN CN(CCN(C)C1CC1)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000547439179 322126927 /nfs/dbraw/zinc/12/69/27/322126927.db2.gz SUQDSIIZQSOCFX-UHFFFAOYSA-N 0 3 328.394 0.773 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@]1(O)CN2CCC1CC2 ZINC000560506440 322245656 /nfs/dbraw/zinc/24/56/56/322245656.db2.gz XZLZKMGQIYENAS-INIZCTEOSA-N 0 3 335.360 0.547 20 5 ECBDHN Cc1c(NC(=O)CCN2CC[C@@H](CO)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000562383069 322272132 /nfs/dbraw/zinc/27/21/32/322272132.db2.gz QDTHGGWMGUITQL-WFASDCNBSA-N 0 3 337.376 0.907 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576123554 322802064 /nfs/dbraw/zinc/80/20/64/322802064.db2.gz PTDXXSFVUSTDAJ-MNOVXSKESA-N 0 3 349.347 0.379 20 5 ECBDHN Cn1cc([C@@H](O)CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000843086342 589049822 /nfs/dbraw/zinc/04/98/22/589049822.db2.gz BKPVQQWQJOGDJN-JSGCOSHPSA-N 0 3 336.348 0.391 20 5 ECBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000800597903 586969836 /nfs/dbraw/zinc/96/98/36/586969836.db2.gz VVURABKRQVWSGI-VIFPVBQESA-N 0 3 342.327 0.020 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000844037811 589090465 /nfs/dbraw/zinc/09/04/65/589090465.db2.gz VHHWKHYHPQMOEW-JTQLQIEISA-N 0 3 338.339 0.926 20 5 ECBDHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112672 587248470 /nfs/dbraw/zinc/24/84/70/587248470.db2.gz SMYDJSAWKKPCRB-IUCAKERBSA-N 0 3 328.412 0.256 20 5 ECBDHN COc1cccc(C[C@@H](C(=O)OCC(C)[N+](=O)[O-])n2nnnc2C)c1 ZINC000813113894 587248805 /nfs/dbraw/zinc/24/88/05/587248805.db2.gz VXIHSPTUCHPFGK-YGRLFVJLSA-N 0 3 349.347 0.982 20 5 ECBDHN CN1CCC2(CC1)CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000844093241 589093412 /nfs/dbraw/zinc/09/34/12/589093412.db2.gz BIFPNRIPYSBFJC-OAHLLOKOSA-N 0 3 349.387 0.951 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC3(CC2)OCCCO3)c1 ZINC000815157859 587283823 /nfs/dbraw/zinc/28/38/23/587283823.db2.gz XHCBLVQOPYHOTE-CYBMUJFWSA-N 0 3 326.353 0.381 20 5 ECBDHN CCS(=O)(=O)CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819013530 587464489 /nfs/dbraw/zinc/46/44/89/587464489.db2.gz VTCMJZUVAJFVHP-LBPRGKRZSA-N 0 3 332.378 0.359 20 5 ECBDHN CC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821164292 587576236 /nfs/dbraw/zinc/57/62/36/587576236.db2.gz AOYNXZZQWNKKBQ-JTQLQIEISA-N 0 3 332.368 0.948 20 5 ECBDHN CC[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821164292 587576238 /nfs/dbraw/zinc/57/62/38/587576238.db2.gz AOYNXZZQWNKKBQ-JTQLQIEISA-N 0 3 332.368 0.948 20 5 ECBDHN CC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821164292 587576240 /nfs/dbraw/zinc/57/62/40/587576240.db2.gz AOYNXZZQWNKKBQ-JTQLQIEISA-N 0 3 332.368 0.948 20 5 ECBDHN CC[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821164292 587576241 /nfs/dbraw/zinc/57/62/41/587576241.db2.gz AOYNXZZQWNKKBQ-JTQLQIEISA-N 0 3 332.368 0.948 20 5 ECBDHN Nc1nccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000847487790 589251012 /nfs/dbraw/zinc/25/10/12/589251012.db2.gz LAPXORCMQOAONE-GFCCVEGCSA-N 0 3 349.391 0.945 20 5 ECBDHN CC[N@H+](CCO)CC[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848588570 589301111 /nfs/dbraw/zinc/30/11/11/589301111.db2.gz VYWUBERONKAZHP-UHFFFAOYSA-N 0 3 347.318 0.997 20 5 ECBDHN CC[N@@H+](CCO)CC[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848588570 589301112 /nfs/dbraw/zinc/30/11/12/589301112.db2.gz VYWUBERONKAZHP-UHFFFAOYSA-N 0 3 347.318 0.997 20 5 ECBDHN COC(=O)Cc1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000848679528 589306622 /nfs/dbraw/zinc/30/66/22/589306622.db2.gz WKRUSWSEWQXEPS-HNNXBMFYSA-N 0 3 348.359 0.658 20 5 ECBDHN CN(CC1CN(C)C1)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000853552768 589548036 /nfs/dbraw/zinc/54/80/36/589548036.db2.gz FQCWLKRFBWKIQS-UHFFFAOYSA-N 0 3 333.348 0.862 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCOC2(CNC2)C1 ZINC000854014894 589568525 /nfs/dbraw/zinc/56/85/25/589568525.db2.gz DJFDMNOUWXYECF-UHFFFAOYSA-N 0 3 325.296 0.314 20 5 ECBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916660174 609945476 /nfs/dbraw/zinc/94/54/76/609945476.db2.gz GSDSYAVVIRFQJX-MNOVXSKESA-N 0 3 326.378 0.562 20 5 ECBDHN CN(CCO)CCN(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000912608733 609978231 /nfs/dbraw/zinc/97/82/31/609978231.db2.gz MYQFBBXJQRHOLO-UHFFFAOYSA-N 0 3 325.365 0.746 20 5 ECBDHN CN1CCN(C)CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000933996381 611764774 /nfs/dbraw/zinc/76/47/74/611764774.db2.gz VZSPHTPRHBOZAY-UHFFFAOYSA-N 0 3 335.408 0.713 20 5 ECBDHN COc1cncc(CN2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001001400495 746341437 /nfs/dbraw/zinc/34/14/37/746341437.db2.gz RZLHGSPJTLHOLE-ZIAGYGMSSA-N 0 3 349.391 0.479 20 5 ECBDHN CN(Cc1nccn1C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964582 750114442 /nfs/dbraw/zinc/11/44/42/750114442.db2.gz PRWHRRYFLPPCEF-ZIAGYGMSSA-N 0 3 335.408 0.756 20 5 ECBDHN Cc1cc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)nc(C)n1 ZINC001168303455 754123358 /nfs/dbraw/zinc/12/33/58/754123358.db2.gz CCJKZGCCMUYOTO-UHFFFAOYSA-N 0 3 347.379 0.645 20 5 ECBDHN CSCC(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000989902480 754536380 /nfs/dbraw/zinc/53/63/80/754536380.db2.gz URVGQDXIXYBHRE-UHFFFAOYSA-N 0 3 327.410 0.772 20 5 ECBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(Cc3cc4n(n3)CCC4)C[C@H]2C1 ZINC001048814583 757082419 /nfs/dbraw/zinc/08/24/19/757082419.db2.gz UDCRBKKLVGBVPF-NOXHYTERSA-N 0 3 345.403 0.385 20 5 ECBDHN O=C(c1nc[nH]n1)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001049123147 758035146 /nfs/dbraw/zinc/03/51/46/758035146.db2.gz ZXUYTWUIFVQAFI-BETUJISGSA-N 0 3 342.359 0.917 20 5 ECBDHN CCCn1c(C)nnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064053 758227547 /nfs/dbraw/zinc/22/75/47/758227547.db2.gz SJBABRDQQIOCLP-YVECIDJPSA-N 0 3 336.396 0.399 20 5 ECBDHN Cc1cc2cn[nH]c2c(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000991299255 760182008 /nfs/dbraw/zinc/18/20/08/760182008.db2.gz SVRHURPAYUNCPC-DGCLKSJQSA-N 0 3 343.343 0.477 20 5 ECBDHN Cc1cc2c[nH]nc2c(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000991299255 760182009 /nfs/dbraw/zinc/18/20/09/760182009.db2.gz SVRHURPAYUNCPC-DGCLKSJQSA-N 0 3 343.343 0.477 20 5 ECBDHN CC1(NC(=O)CCc2c[nH]cn2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073014714 789274640 /nfs/dbraw/zinc/27/46/40/789274640.db2.gz VDPYPHSZCZNDPC-CHWSQXEVSA-N 0 3 349.391 0.505 20 5 ECBDHN CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001266667714 836108272 /nfs/dbraw/zinc/10/82/72/836108272.db2.gz FPYZUQNDDKUBMI-OKILXGFUSA-N 0 3 334.376 0.810 20 5 ECBDHN COc1cccc(CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)n1 ZINC001267326192 837203368 /nfs/dbraw/zinc/20/33/68/837203368.db2.gz RBHPLFFIPAXKBR-ZIAGYGMSSA-N 0 3 334.376 0.836 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2C[C@@H](C)NC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000423511500 209754553 /nfs/dbraw/zinc/75/45/53/209754553.db2.gz TXHSNCQUEHDBHD-NEPJUHHUSA-N 0 3 334.376 0.842 20 5 ECBDHN COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000193257758 240081478 /nfs/dbraw/zinc/08/14/78/240081478.db2.gz RZFPDINFOWOZAF-MRVPVSSYSA-N 0 3 333.341 0.773 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2CCN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000188840885 165003103 /nfs/dbraw/zinc/00/31/03/165003103.db2.gz IRTHFAYXIPIGDJ-UHFFFAOYSA-N 0 3 346.387 0.940 20 5 ECBDHN CN1CCC(O)(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000267064031 263180085 /nfs/dbraw/zinc/18/00/85/263180085.db2.gz HEPAVLVZFKWQGF-UHFFFAOYSA-N 0 3 341.339 0.686 20 5 ECBDHN COc1ccc(OCCN(C)CC(C)(CO)CO)c([N+](=O)[O-])c1 ZINC000269881940 263210437 /nfs/dbraw/zinc/21/04/37/263210437.db2.gz AQIGYSINZFMHCU-UHFFFAOYSA-N 0 3 328.365 0.905 20 5 ECBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000274640915 263490894 /nfs/dbraw/zinc/49/08/94/263490894.db2.gz VHBCNEYMVCEQQN-LBPRGKRZSA-N 0 3 335.408 0.933 20 5 ECBDHN CN(C)CCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000359610353 299870519 /nfs/dbraw/zinc/87/05/19/299870519.db2.gz ZPDNHVUCRHNHAI-LLVKDONJSA-N 0 3 338.364 0.812 20 5 ECBDHN NC[C@@H]1CCCCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419037683 295244374 /nfs/dbraw/zinc/24/43/74/295244374.db2.gz IXTBNSITGFJWDC-ZDUSSCGKSA-N 0 3 334.376 0.593 20 5 ECBDHN Cc1n[n-]c(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000338879784 297305131 /nfs/dbraw/zinc/30/51/31/297305131.db2.gz HGEHEXLDJNXSHT-UHFFFAOYSA-N 0 3 333.352 0.759 20 5 ECBDHN NC(=O)c1cccc(N2CCN(C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000340016465 297420900 /nfs/dbraw/zinc/42/09/00/297420900.db2.gz PIQUDDIPYYQOMP-LBPRGKRZSA-N 0 3 334.376 0.852 20 5 ECBDHN COC[C@](C)(CC(=O)OC)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000341678861 297660129 /nfs/dbraw/zinc/66/01/29/297660129.db2.gz YPIAGPVPCBILDV-AWEZNQCLSA-N 0 3 327.337 0.314 20 5 ECBDHN C[C@H](CNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N(C)C ZINC000345855112 298196586 /nfs/dbraw/zinc/19/65/86/298196586.db2.gz YRPUOKIWHVNTIE-SNVBAGLBSA-N 0 3 348.359 0.928 20 5 ECBDHN Cc1noc([C@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000075645988 436170690 /nfs/dbraw/zinc/17/06/90/436170690.db2.gz HCMKVJWISWZVMN-AAEUAGOBSA-N 0 3 336.352 0.723 20 5 ECBDHN CN1CCC[C@H](N2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)C1 ZINC000090554346 436433380 /nfs/dbraw/zinc/43/33/80/436433380.db2.gz NMEDWBLPIZEAGW-HNNXBMFYSA-N 0 3 349.435 0.468 20 5 ECBDHN Cn1ccnc1C[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000090003678 436426207 /nfs/dbraw/zinc/42/62/07/436426207.db2.gz RWHZIGKHXSBAMQ-ZFWWWQNUSA-N 0 3 348.407 0.840 20 5 ECBDHN COC(=O)c1cc(C(=O)NCCOCCN(C)C)cc([N+](=O)[O-])c1 ZINC000537546470 302151608 /nfs/dbraw/zinc/15/16/08/302151608.db2.gz SSROFZICTBJRAX-UHFFFAOYSA-N 0 3 339.348 0.689 20 5 ECBDHN COC[C@](C)(CCO)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273282938 436742471 /nfs/dbraw/zinc/74/24/71/436742471.db2.gz DMJGBRPAMCLXCU-WFASDCNBSA-N 0 3 328.365 0.712 20 5 ECBDHN CCOCCO[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000157646739 436831703 /nfs/dbraw/zinc/83/17/03/436831703.db2.gz XTCXBTDBCNTZCH-KBPBESRZSA-N 0 3 328.369 0.280 20 5 ECBDHN COCCN(C)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000171127802 436967922 /nfs/dbraw/zinc/96/79/22/436967922.db2.gz OCMIJOKIMXMZCJ-UHFFFAOYSA-N 0 3 329.328 0.807 20 5 ECBDHN Nc1c(C(=O)NCCCN2CCC(O)CC2)cc(F)cc1[N+](=O)[O-] ZINC000172312755 437009156 /nfs/dbraw/zinc/00/91/56/437009156.db2.gz LVAQBLGOAQBMFA-UHFFFAOYSA-N 0 3 340.355 0.893 20 5 ECBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299515677 437085490 /nfs/dbraw/zinc/08/54/90/437085490.db2.gz NVBVDPBBYOXBIM-QWHCGFSZSA-N 0 3 336.392 0.993 20 5 ECBDHN CNC(=O)OC[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286684643 437117916 /nfs/dbraw/zinc/11/79/16/437117916.db2.gz CNWRMEFJBYKCAM-YPMHNXCESA-N 0 3 341.368 0.363 20 5 ECBDHN Cc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000316266673 437186115 /nfs/dbraw/zinc/18/61/15/437186115.db2.gz AZKHALBPXCCBIT-NSHDSACASA-N 0 3 328.394 0.167 20 5 ECBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000332013871 437195395 /nfs/dbraw/zinc/19/53/95/437195395.db2.gz YMQHPOIQJKWSOG-LBPRGKRZSA-N 0 3 330.348 0.706 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)C[C@@H](C)O ZINC000289846926 437444158 /nfs/dbraw/zinc/44/41/58/437444158.db2.gz PKTUIVFZYXLPEK-LLVKDONJSA-N 0 3 341.364 0.607 20 5 ECBDHN CS[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000290941563 437544767 /nfs/dbraw/zinc/54/47/67/437544767.db2.gz LLXQMMUBYLUVFX-ZJUUUORDSA-N 0 3 325.394 0.571 20 5 ECBDHN CN(C)CCOc1cnccc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000341051499 437783520 /nfs/dbraw/zinc/78/35/20/437783520.db2.gz QGEDHWISBQJXGZ-UHFFFAOYSA-N 0 3 333.352 0.336 20 5 ECBDHN CC(C)N1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000363922511 437809016 /nfs/dbraw/zinc/80/90/16/437809016.db2.gz QLVXQTFNSDPJSF-LBPRGKRZSA-N 0 3 335.412 0.572 20 5 ECBDHN Cc1cc(=O)c(C(=O)N[C@H](C)CN)nn1-c1ccccc1[N+](=O)[O-] ZINC000347658901 437925710 /nfs/dbraw/zinc/92/57/10/437925710.db2.gz QYCKBTOBOGEKGW-SECBINFHSA-N 0 3 331.332 0.526 20 5 ECBDHN CN(C)C1(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000416289855 437906520 /nfs/dbraw/zinc/90/65/20/437906520.db2.gz KOUPKJVVAKEPEC-UHFFFAOYSA-N 0 3 334.376 0.925 20 5 ECBDHN CN1C[C@@H]2CCCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425048640 438009826 /nfs/dbraw/zinc/00/98/26/438009826.db2.gz OMGAXKMJPJQZNG-DZGCQCFKSA-N 0 3 346.387 0.877 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358068961 438142448 /nfs/dbraw/zinc/14/24/48/438142448.db2.gz RZTVXOPHYDRRLN-CQSZACIVSA-N 0 3 327.768 0.974 20 5 ECBDHN COC(=O)[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000378006356 438337055 /nfs/dbraw/zinc/33/70/55/438337055.db2.gz VCRGHOQIBUBDCQ-RYUDHWBXSA-N 0 3 326.353 0.283 20 5 ECBDHN CN(CCN1CCOC(C)(C)C1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434708389 438318092 /nfs/dbraw/zinc/31/80/92/438318092.db2.gz ROHFWIFKUDRMRQ-CQSZACIVSA-N 0 3 341.412 0.195 20 5 ECBDHN CN1CC[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000368594792 438352079 /nfs/dbraw/zinc/35/20/79/438352079.db2.gz XLNWTCBSQZWYRE-IUODEOHRSA-N 0 3 346.387 0.877 20 5 ECBDHN COCCN(C)C[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000388284064 438424792 /nfs/dbraw/zinc/42/47/92/438424792.db2.gz SDEXONXJCDZJKG-QMMMGPOBSA-N 0 3 337.174 0.493 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1C[NH2+]CCN1C ZINC000394095319 438445196 /nfs/dbraw/zinc/44/51/96/438445196.db2.gz MWGXJFYDIRZLFC-LLVKDONJSA-N 0 3 328.394 0.085 20 5 ECBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000359581284 438462095 /nfs/dbraw/zinc/46/20/95/438462095.db2.gz WRMXASHOBNUNSR-SWLSCSKDSA-N 0 3 326.349 0.418 20 5 ECBDHN CNS(=O)(=O)CCN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439145708 438500288 /nfs/dbraw/zinc/50/02/88/438500288.db2.gz JXDVBPMIRLAOEL-JTQLQIEISA-N 0 3 344.393 0.451 20 5 ECBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C1CCN(C)CC1 ZINC000408076453 438504930 /nfs/dbraw/zinc/50/49/30/438504930.db2.gz JDDDLRSMTUTRIB-NSHDSACASA-N 0 3 336.396 0.558 20 5 ECBDHN CCCc1n[nH]c(C(=O)NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000452348354 438653569 /nfs/dbraw/zinc/65/35/69/438653569.db2.gz LHBNJMWOJNIBRM-LLVKDONJSA-N 0 3 339.396 0.847 20 5 ECBDHN Nc1c(C(=O)NC[C@@H]2CCCN2CCCO)cc(F)cc1[N+](=O)[O-] ZINC000452352678 438653691 /nfs/dbraw/zinc/65/36/91/438653691.db2.gz SMLNSTQQAXDIHU-NSHDSACASA-N 0 3 340.355 0.893 20 5 ECBDHN C[C@@H]1[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000494029171 438666373 /nfs/dbraw/zinc/66/63/73/438666373.db2.gz VGWLREWDSUZQHB-TZMCWYRMSA-N 0 3 344.375 0.966 20 5 ECBDHN Cc1ccsc1[C@@H](CO)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494636856 438701391 /nfs/dbraw/zinc/70/13/91/438701391.db2.gz MMAVKYBYWQOBDT-VXGBXAGGSA-N 0 3 326.378 0.845 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCN1CCO ZINC000452391084 438659767 /nfs/dbraw/zinc/65/97/67/438659767.db2.gz PLEPUTGUMUVFJT-CQSZACIVSA-N 0 3 337.376 0.937 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CO)Cc1cccnc1 ZINC000575312469 438744573 /nfs/dbraw/zinc/74/45/73/438744573.db2.gz SONSCNTXGMPEQV-LSDHHAIUSA-N 0 3 347.371 0.923 20 5 ECBDHN CN1C[C@@H]2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC000590011908 438897448 /nfs/dbraw/zinc/89/74/48/438897448.db2.gz MUZCOKDNWJRZIW-GXFFZTMASA-N 0 3 348.359 0.898 20 5 ECBDHN CN1C[C@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590447261 438925864 /nfs/dbraw/zinc/92/58/64/438925864.db2.gz WZTCRVGMQRHMHX-IUODEOHRSA-N 0 3 342.359 0.952 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1CNCCN1CCC(O)CC1)OCCO2 ZINC000590662233 438945905 /nfs/dbraw/zinc/94/59/05/438945905.db2.gz ZJHGDRPATKJYMC-UHFFFAOYSA-N 0 3 337.376 0.912 20 5 ECBDHN CN1CCN(C)[C@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000579104040 438981120 /nfs/dbraw/zinc/98/11/20/438981120.db2.gz ZZMYSQDNTGLBLZ-KGLIPLIRSA-N 0 3 338.408 0.170 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCc3nnnn3CC1)OCCO2 ZINC000591504129 439018153 /nfs/dbraw/zinc/01/81/53/439018153.db2.gz OZIMGYYKKBHBEX-LLVKDONJSA-N 0 3 346.347 0.847 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2COc3ccc(F)cc3C2)c1 ZINC000519594582 439042098 /nfs/dbraw/zinc/04/20/98/439042098.db2.gz HEKLGFHBJIKHNS-OCCSQVGLSA-N 0 3 336.323 0.885 20 5 ECBDHN CCN(CC)CC(=O)N1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602457378 439090073 /nfs/dbraw/zinc/09/00/73/439090073.db2.gz AQDVDIUVJFSENC-UHFFFAOYSA-N 0 3 338.412 0.314 20 5 ECBDHN CN(C)CCOCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000471647101 439090320 /nfs/dbraw/zinc/09/03/20/439090320.db2.gz OPLKTSREQBTGSC-UHFFFAOYSA-N 0 3 331.394 0.592 20 5 ECBDHN COC[C@@](C)(O)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591769553 439082354 /nfs/dbraw/zinc/08/23/54/439082354.db2.gz SLRQQXLKZWYBLO-AWEZNQCLSA-N 0 3 346.405 0.746 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000591983050 439126776 /nfs/dbraw/zinc/12/67/76/439126776.db2.gz WCIOURATEFLNEE-VIFPVBQESA-N 0 3 338.393 0.860 20 5 ECBDHN COC(=O)[C@H]1CN(C)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602840660 439141971 /nfs/dbraw/zinc/14/19/71/439141971.db2.gz OYZBMQWVRRLETB-LBPRGKRZSA-N 0 3 325.369 0.136 20 5 ECBDHN COc1cc(OCC(=O)N[C@@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000597653803 439150109 /nfs/dbraw/zinc/15/01/09/439150109.db2.gz MQBFDXMESOYMNF-SNVBAGLBSA-N 0 3 327.337 0.021 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)C[C@@H]1CO ZINC000602904776 439157689 /nfs/dbraw/zinc/15/76/89/439157689.db2.gz LPZRTAOOLFOEJM-CQSZACIVSA-N 0 3 336.392 0.840 20 5 ECBDHN CCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597943983 439202463 /nfs/dbraw/zinc/20/24/63/439202463.db2.gz BJFZAYQQUBZYPX-AWEZNQCLSA-N 0 3 334.376 0.877 20 5 ECBDHN C[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592383512 439216378 /nfs/dbraw/zinc/21/63/78/439216378.db2.gz ZRADQFWVVIHNTP-LURJTMIESA-N 0 3 338.183 0.983 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000603495431 439265424 /nfs/dbraw/zinc/26/54/24/439265424.db2.gz YNUQZGGHMGCZFP-AAEUAGOBSA-N 0 3 344.389 0.359 20 5 ECBDHN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN2CC[C@H]1C2 ZINC000598903425 439325504 /nfs/dbraw/zinc/32/55/04/439325504.db2.gz RVBFYWDQKJQUBM-ZDUSSCGKSA-N 0 3 333.348 0.633 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000592878920 439294682 /nfs/dbraw/zinc/29/46/82/439294682.db2.gz IMMMNTQXAGUCEZ-GFCCVEGCSA-N 0 3 349.391 0.585 20 5 ECBDHN CNc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592881602 439297468 /nfs/dbraw/zinc/29/74/68/439297468.db2.gz UOHJDWDJLYMNOI-NSHDSACASA-N 0 3 349.391 0.829 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1=O ZINC000593235705 439354941 /nfs/dbraw/zinc/35/49/41/439354941.db2.gz VHJWRQWFTBUABL-UHFFFAOYSA-N 0 3 338.339 0.580 20 5 ECBDHN COc1ccc(CC(=O)NC[C@@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000569699169 439355423 /nfs/dbraw/zinc/35/54/23/439355423.db2.gz OFAUPOKGKBPXEZ-INIZCTEOSA-N 0 3 339.392 0.965 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1([NH3+])CCOCC1 ZINC000599104326 439358662 /nfs/dbraw/zinc/35/86/62/439358662.db2.gz VZGURXXVMOZCCM-UHFFFAOYSA-N 0 3 329.378 0.689 20 5 ECBDHN CN1CCN(C)[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000570273566 439407061 /nfs/dbraw/zinc/40/70/61/439407061.db2.gz PCCMDBWGXQQZFH-ZDUSSCGKSA-N 0 3 335.408 0.759 20 5 ECBDHN CC(C)(CO)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000570791139 439450457 /nfs/dbraw/zinc/45/04/57/439450457.db2.gz RNEAKDXTKDVITL-HUUCEWRRSA-N 0 3 349.391 0.897 20 5 ECBDHN O=C(CCNCCNC(=O)c1ccn[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000570956353 439464776 /nfs/dbraw/zinc/46/47/76/439464776.db2.gz GRYYHQMRJVNLCG-UHFFFAOYSA-N 0 3 346.347 0.666 20 5 ECBDHN COc1cc(C[NH2+]CCCN(C)S(C)(=O)=O)c([N+](=O)[O-])cc1[O-] ZINC000608781908 439546753 /nfs/dbraw/zinc/54/67/53/439546753.db2.gz CYUOTXGZFCQZIA-UHFFFAOYSA-N 0 3 347.393 0.680 20 5 ECBDHN NC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(F)(F)F ZINC000594450711 439562881 /nfs/dbraw/zinc/56/28/81/439562881.db2.gz SPCMITIZTSMACM-VIFPVBQESA-N 0 3 335.238 0.985 20 5 ECBDHN COc1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939530 439580111 /nfs/dbraw/zinc/58/01/11/439580111.db2.gz WKMPWQQLCZLDAN-QWHCGFSZSA-N 0 3 335.360 0.885 20 5 ECBDHN Cc1cc(OCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938655 439580220 /nfs/dbraw/zinc/58/02/20/439580220.db2.gz CSDVDJZDJWUCCC-UONOGXRCSA-N 0 3 349.387 0.950 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584361930 439583238 /nfs/dbraw/zinc/58/32/38/439583238.db2.gz IARDJSZAVPETCU-RYUDHWBXSA-N 0 3 347.375 0.086 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCc3ccc(O)cc3CC2)c1 ZINC000610390306 439612906 /nfs/dbraw/zinc/61/29/06/439612906.db2.gz JFSQXZDMIMJTFW-INIZCTEOSA-N 0 3 332.360 0.959 20 5 ECBDHN COc1c(F)cc(S(=O)(=O)[N-]CC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000595121848 439657135 /nfs/dbraw/zinc/65/71/35/439657135.db2.gz SWSHSSOGWZDHHG-UHFFFAOYSA-N 0 3 345.352 0.773 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000573754614 439664219 /nfs/dbraw/zinc/66/42/19/439664219.db2.gz IGHAWFMDQHUPPK-WFASDCNBSA-N 0 3 337.376 0.907 20 5 ECBDHN Cc1noc(CN2CCC(N3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000595399320 439721186 /nfs/dbraw/zinc/72/11/86/439721186.db2.gz ZGQGKYUWBMKEMU-LBPRGKRZSA-N 0 3 337.380 0.805 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000611185088 439678486 /nfs/dbraw/zinc/67/84/86/439678486.db2.gz UVUYQIQWXMAGOK-CABCVRRESA-N 0 3 336.392 0.288 20 5 ECBDHN N[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595261323 439683474 /nfs/dbraw/zinc/68/34/74/439683474.db2.gz WFLZEEZQMWERKM-CHWSQXEVSA-N 0 3 338.339 0.612 20 5 ECBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595275664 439688313 /nfs/dbraw/zinc/68/83/13/439688313.db2.gz QLUIMCMOJRUAJL-UHFFFAOYSA-N 0 3 346.347 0.891 20 5 ECBDHN O=C(NCCCCN1CCN(CCO)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340231166 321026170 /nfs/dbraw/zinc/02/61/70/321026170.db2.gz LCCDKGLAIQBEAF-UHFFFAOYSA-N 0 3 339.396 0.043 20 5 ECBDHN N[C@@H](CC(F)F)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345834547 321202620 /nfs/dbraw/zinc/20/26/20/321202620.db2.gz ZRUQPRSTRRWJRP-SCZZXKLOSA-N 0 3 329.307 0.985 20 5 ECBDHN COC1CC(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000347361684 321237530 /nfs/dbraw/zinc/23/75/30/321237530.db2.gz PYTHWGYVUKRTQJ-UHFFFAOYSA-N 0 3 329.378 0.640 20 5 ECBDHN O=C(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)NCCN1CCCCCC1 ZINC000562195149 322266900 /nfs/dbraw/zinc/26/69/00/322266900.db2.gz XUITWYQOLXHYOR-UHFFFAOYSA-N 0 3 337.380 0.645 20 5 ECBDHN N[C@@H]1C[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CCN2C1=O ZINC000563430837 322317455 /nfs/dbraw/zinc/31/74/55/322317455.db2.gz BAASCBRXPXJOTJ-NWDGAFQWSA-N 0 3 327.344 0.891 20 5 ECBDHN CN1C(=O)CC[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000566733725 322550977 /nfs/dbraw/zinc/55/09/77/322550977.db2.gz XXWCBYKVFHKPQG-MNOVXSKESA-N 0 3 337.332 0.072 20 5 ECBDHN NC(=O)c1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000569594461 322659024 /nfs/dbraw/zinc/65/90/24/322659024.db2.gz ATRGGYWHIWEZJF-CYBMUJFWSA-N 0 3 346.343 0.618 20 5 ECBDHN CCOc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000571179041 322713065 /nfs/dbraw/zinc/71/30/65/322713065.db2.gz FWPUJBRVKDHODW-NWDGAFQWSA-N 0 3 348.359 0.378 20 5 ECBDHN CCc1n[nH]c(C(=O)N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000266563657 535997119 /nfs/dbraw/zinc/99/71/19/535997119.db2.gz JTIHSVOXTKWFAE-UHFFFAOYSA-N 0 3 338.412 0.590 20 5 ECBDHN CCc1[nH]nc(C(=O)N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000266563657 535997124 /nfs/dbraw/zinc/99/71/24/535997124.db2.gz JTIHSVOXTKWFAE-UHFFFAOYSA-N 0 3 338.412 0.590 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CCO)c2cccs2)c1 ZINC000754381798 579417269 /nfs/dbraw/zinc/41/72/69/579417269.db2.gz LBNMIXKKCOCFMT-NEPJUHHUSA-N 0 3 326.378 0.927 20 5 ECBDHN C[C@@H]1CN(c2ccncc2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000895278226 586174085 /nfs/dbraw/zinc/17/40/85/586174085.db2.gz QPTYFFLHCYORNI-GFCCVEGCSA-N 0 3 330.348 0.924 20 5 ECBDHN O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CC[N+](=O)[O-] ZINC000899876107 586510673 /nfs/dbraw/zinc/51/06/73/586510673.db2.gz MMIZZAHULQDOJX-INIZCTEOSA-N 0 3 332.360 0.850 20 5 ECBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000808159306 587146232 /nfs/dbraw/zinc/14/62/32/587146232.db2.gz BUFZGNVTJIOLDO-KBPBESRZSA-N 0 3 348.403 0.942 20 5 ECBDHN O=C(CCN1CC[C@H](CO)[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000808750492 587160797 /nfs/dbraw/zinc/16/07/97/587160797.db2.gz KQMSCKWUNKBFNQ-YGRLFVJLSA-N 0 3 341.339 0.738 20 5 ECBDHN CC(COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)[N+](=O)[O-] ZINC000813108835 587248368 /nfs/dbraw/zinc/24/83/68/587248368.db2.gz MAVSIAVECDTNNC-JHJVBQTASA-N 0 3 326.349 0.636 20 5 ECBDHN CC(COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813111066 587248459 /nfs/dbraw/zinc/24/84/59/587248459.db2.gz BTTNTNFOCBAPAY-SSDOTTSWSA-N 0 3 343.317 0.994 20 5 ECBDHN COCc1nc2n(n1)C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000819152942 587470685 /nfs/dbraw/zinc/47/06/85/587470685.db2.gz FOLMQZISURMLQU-GXTWGEPZSA-N 0 3 347.375 0.971 20 5 ECBDHN CCOc1cc(CN2C(C)C(=O)N(C)S2(=O)=O)ccc1[N+](=O)[O-] ZINC000829558922 588329898 /nfs/dbraw/zinc/32/98/98/588329898.db2.gz DNKSHRMHMDCVBH-SECBINFHSA-N 0 3 343.361 0.901 20 5 ECBDHN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C2CCN(C)C2=O)c1 ZINC000845151080 589134425 /nfs/dbraw/zinc/13/44/25/589134425.db2.gz WLZHPFGGCFEHQF-LLVKDONJSA-N 0 3 336.300 0.903 20 5 ECBDHN CC([C@H](OC(=O)Cn1ncn(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845876693 589173680 /nfs/dbraw/zinc/17/36/80/589173680.db2.gz NVSGVSRQHGGDMI-ZANVPECISA-N 0 3 338.295 0.671 20 5 ECBDHN COc1ccc(CNC[C@@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000922536245 611353895 /nfs/dbraw/zinc/35/38/95/611353895.db2.gz SMZOPDCOJPGSQI-OAHLLOKOSA-N 0 3 325.365 0.386 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)[C@H](CO)C1 ZINC000931405342 611537006 /nfs/dbraw/zinc/53/70/06/611537006.db2.gz IWWRBHVOLBWEQU-AWEZNQCLSA-N 0 3 336.392 0.840 20 5 ECBDHN CN1CCNC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912000141 609926780 /nfs/dbraw/zinc/92/67/80/609926780.db2.gz AXANHOLUPJSLHF-HNNXBMFYSA-N 0 3 333.392 0.147 20 5 ECBDHN O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001026138675 740412498 /nfs/dbraw/zinc/41/24/98/740412498.db2.gz NRXROTRQNSRYEI-ATCWAGBWSA-N 0 3 342.359 0.502 20 5 ECBDHN CCn1nncc1CN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001399200 746340430 /nfs/dbraw/zinc/34/04/30/746340430.db2.gz JLULYFRDBHEJIW-ZIAGYGMSSA-N 0 3 336.396 0.291 20 5 ECBDHN O=C(NCCNCc1sncc1Br)[C@@H]1CC1[N+](=O)[O-] ZINC001126939217 756806134 /nfs/dbraw/zinc/80/61/34/756806134.db2.gz SGXAWFZNHIKMAW-HTRCEHHLSA-N 0 3 349.210 0.777 20 5 ECBDHN Cc1[nH]cnc1CC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107286230 758169067 /nfs/dbraw/zinc/16/90/67/758169067.db2.gz YFZCFRNMVNSRQO-NSCUHMNNSA-N 0 3 346.351 0.326 20 5 ECBDHN Cn1nncc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022029945 758181791 /nfs/dbraw/zinc/18/17/91/758181791.db2.gz IZZYETPGDQTAJF-TXEJJXNPSA-N 0 3 330.348 0.774 20 5 ECBDHN Cn1nncc1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020118269 772178675 /nfs/dbraw/zinc/17/86/75/772178675.db2.gz IZZYETPGDQTAJF-HAQNSBGRSA-N 0 3 330.348 0.774 20 5 ECBDHN Cc1nccnc1CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072725010 788651835 /nfs/dbraw/zinc/65/18/35/788651835.db2.gz HIKVGCVJCGJIJX-TZMCWYRMSA-N 0 3 331.376 0.485 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(OCCN(C)C)CC2)n1 ZINC000427849078 210224380 /nfs/dbraw/zinc/22/43/80/210224380.db2.gz MTQOREHMKNUMRY-UHFFFAOYSA-N 0 3 339.396 0.994 20 5 ECBDHN CN(CCN1CCOCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181744413 529911529 /nfs/dbraw/zinc/91/15/29/529911529.db2.gz AIYLWDWIOUJAKA-AWEZNQCLSA-N 0 3 339.392 0.599 20 5 ECBDHN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355417538 299252336 /nfs/dbraw/zinc/25/23/36/299252336.db2.gz KCGXJNDPEPFJPY-AWEZNQCLSA-N 0 3 344.375 0.919 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCCO2)c1C ZINC000420448006 209368664 /nfs/dbraw/zinc/36/86/64/209368664.db2.gz DJCYNQJVZXYGHH-LBPRGKRZSA-N 0 3 343.405 0.868 20 5 ECBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC000420464293 209372261 /nfs/dbraw/zinc/37/22/61/209372261.db2.gz XLEHOLQZIJVXIJ-GFCCVEGCSA-N 0 3 343.405 0.868 20 5 ECBDHN C[C@H]1NCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262749874 245160239 /nfs/dbraw/zinc/16/02/39/245160239.db2.gz GMWRZHPVTXWWSD-MNOVXSKESA-N 0 3 330.348 0.998 20 5 ECBDHN CN(C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000111660348 220177157 /nfs/dbraw/zinc/17/71/57/220177157.db2.gz AAWHRUGVENSOEO-JTQLQIEISA-N 0 3 340.405 0.939 20 5 ECBDHN CCN1CCN(C[C@@H](C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000264935836 247061234 /nfs/dbraw/zinc/06/12/34/247061234.db2.gz UJSWZUSTFGIWEQ-ZDUSSCGKSA-N 0 3 338.412 0.181 20 5 ECBDHN Cc1nn(C)c(NCCCN2CCC[C@@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000265164263 247261474 /nfs/dbraw/zinc/26/14/74/247261474.db2.gz WSWXKMSAUDMRJO-GFCCVEGCSA-N 0 3 338.412 0.991 20 5 ECBDHN CN1CC[C@@H]2CN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)C[C@@H]21 ZINC000450792819 211343207 /nfs/dbraw/zinc/34/32/07/211343207.db2.gz OIUFIOSMWDQYNK-RNCFNFMXSA-N 0 3 326.378 0.383 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000152986614 224041258 /nfs/dbraw/zinc/04/12/58/224041258.db2.gz ZGACGFFBXFBGQQ-CYBMUJFWSA-N 0 3 326.309 0.545 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413214266 208296339 /nfs/dbraw/zinc/29/63/39/208296339.db2.gz ZRXDXMZVIAMAMF-ZDUSSCGKSA-N 0 3 337.355 0.872 20 5 ECBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000420453926 209370315 /nfs/dbraw/zinc/37/03/15/209370315.db2.gz KQEPMLRYLBBZSB-LBPRGKRZSA-N 0 3 342.421 0.394 20 5 ECBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000419281820 209050243 /nfs/dbraw/zinc/05/02/43/209050243.db2.gz XZFGUWDHPJBKBV-GFCCVEGCSA-N 0 3 334.376 0.902 20 5 ECBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357907126 299651063 /nfs/dbraw/zinc/65/10/63/299651063.db2.gz HMIJBNWZIGAROQ-NSHDSACASA-N 0 3 325.369 0.511 20 5 ECBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262811540 165391532 /nfs/dbraw/zinc/39/15/32/165391532.db2.gz REYPJGMASCRIPA-WDEREUQCSA-N 0 3 348.359 0.529 20 5 ECBDHN COCCNCCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000271135076 263302102 /nfs/dbraw/zinc/30/21/02/263302102.db2.gz MUTDWPQTWWXLDG-UHFFFAOYSA-N 0 3 327.337 0.334 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CO)CN1CCCCC1 ZINC000288410606 264526360 /nfs/dbraw/zinc/52/63/60/264526360.db2.gz GQOQTJACSMYLDS-LBPRGKRZSA-N 0 3 325.369 0.063 20 5 ECBDHN CN1C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000192917929 277198304 /nfs/dbraw/zinc/19/83/04/277198304.db2.gz NHRMLTHFPNJOKY-AOOOYVTPSA-N 0 3 329.353 0.916 20 5 ECBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000343521271 437598207 /nfs/dbraw/zinc/59/82/07/437598207.db2.gz IVGJFGBUKKPLNY-GFCCVEGCSA-N 0 3 332.364 0.823 20 5 ECBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@H](N2CCCC2)C1 ZINC000332389475 297037297 /nfs/dbraw/zinc/03/72/97/297037297.db2.gz CNRJPRVNDTWQNX-ZDUSSCGKSA-N 0 3 334.376 0.843 20 5 ECBDHN O=C(CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCNCC1 ZINC000262280598 295474360 /nfs/dbraw/zinc/47/43/60/295474360.db2.gz ZFRZMLPVYOEHAK-UHFFFAOYSA-N 0 3 347.419 0.539 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Oc3cnccn3)CC2)c1 ZINC000369697706 300762376 /nfs/dbraw/zinc/76/23/76/300762376.db2.gz ZRXXAHWBHUZRIP-CYBMUJFWSA-N 0 3 348.363 0.486 20 5 ECBDHN COC(=O)C[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075682893 436172750 /nfs/dbraw/zinc/17/27/50/436172750.db2.gz JAHBEBDNEHQXRA-YPMHNXCESA-N 0 3 326.353 0.570 20 5 ECBDHN CCCc1n[nH]c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000377593345 301362780 /nfs/dbraw/zinc/36/27/80/301362780.db2.gz NNLILDLRTKTGSD-QWRGUYRKSA-N 0 3 337.380 0.863 20 5 ECBDHN CN1CCC(O)(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077786544 436253362 /nfs/dbraw/zinc/25/33/62/436253362.db2.gz XICXFEWWAGACHG-UHFFFAOYSA-N 0 3 336.392 0.893 20 5 ECBDHN Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1c[nH+]ccc1N1CCN(C)CC1 ZINC000535754681 302125350 /nfs/dbraw/zinc/12/53/50/302125350.db2.gz QJZNNMKNXXYGNR-UHFFFAOYSA-N 0 3 345.363 0.727 20 5 ECBDHN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000535754681 302125351 /nfs/dbraw/zinc/12/53/51/302125351.db2.gz QJZNNMKNXXYGNR-UHFFFAOYSA-N 0 3 345.363 0.727 20 5 ECBDHN Cc1sc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000552082642 302383611 /nfs/dbraw/zinc/38/36/11/302383611.db2.gz ZCHKLGGXIZSUEL-QMMMGPOBSA-N 0 3 328.394 0.761 20 5 ECBDHN Cc1c(CC(=O)N[C@H](C)C(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000552082515 302383755 /nfs/dbraw/zinc/38/37/55/302383755.db2.gz UYDAWPNGMAMDSY-GFCCVEGCSA-N 0 3 336.392 0.628 20 5 ECBDHN NC(=O)CC[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247458610 436794392 /nfs/dbraw/zinc/79/43/92/436794392.db2.gz ICZSUBJBDSQVIO-WCQYABFASA-N 0 3 325.369 0.130 20 5 ECBDHN CCc1n[nH]c(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000274580930 436846121 /nfs/dbraw/zinc/84/61/21/436846121.db2.gz HLVLRLHQFZNXPY-NSHDSACASA-N 0 3 338.412 0.636 20 5 ECBDHN CCC[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262169176 436912285 /nfs/dbraw/zinc/91/22/85/436912285.db2.gz WQSZXHQWUKVJNH-GFCCVEGCSA-N 0 3 344.393 0.117 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](CO)CN1CCCCC1 ZINC000293733090 436904233 /nfs/dbraw/zinc/90/42/33/436904233.db2.gz WMZKLWXUFSKMNI-ZDUSSCGKSA-N 0 3 337.376 0.937 20 5 ECBDHN COCCN(C)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000263697635 436978686 /nfs/dbraw/zinc/97/86/86/436978686.db2.gz APJZLHQUGVZMRA-UHFFFAOYSA-N 0 3 339.348 0.689 20 5 ECBDHN CCc1n[n-]c(C(=O)NCCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000263701910 436979429 /nfs/dbraw/zinc/97/94/29/436979429.db2.gz ULHWJWCDNPDKIH-UHFFFAOYSA-N 0 3 325.369 0.723 20 5 ECBDHN CN(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000265371729 437115530 /nfs/dbraw/zinc/11/55/30/437115530.db2.gz HEFRDDNNJYHJFS-UHFFFAOYSA-N 0 3 346.290 0.813 20 5 ECBDHN CCn1cc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)c([N+](=O)[O-])n1 ZINC000331981330 437189656 /nfs/dbraw/zinc/18/96/56/437189656.db2.gz NFKJPICLNCDPTH-UHFFFAOYSA-N 0 3 345.425 0.916 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCCN1CCN(C)CC1 ZINC000277160170 437197875 /nfs/dbraw/zinc/19/78/75/437197875.db2.gz DDKDBIZFBGMQDX-UHFFFAOYSA-N 0 3 336.392 0.971 20 5 ECBDHN COc1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000323275542 437221852 /nfs/dbraw/zinc/22/18/52/437221852.db2.gz ADSKLUJDEHRCOA-ZDUSSCGKSA-N 0 3 347.393 0.194 20 5 ECBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCN1CCC2 ZINC000343096564 437503640 /nfs/dbraw/zinc/50/36/40/437503640.db2.gz FOWNCDKPZHDLPH-HNNXBMFYSA-N 0 3 333.392 0.513 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CO)[C@@H]1CCCO1 ZINC000447913781 304809277 /nfs/dbraw/zinc/80/92/77/304809277.db2.gz NKIVVNBMFYSIOB-BZPMIXESSA-N 0 3 326.349 0.464 20 5 ECBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000355317127 437694822 /nfs/dbraw/zinc/69/48/22/437694822.db2.gz MGICOBQWJJPCDV-GFCCVEGCSA-N 0 3 325.369 0.361 20 5 ECBDHN CN(C)CC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356531312 437781586 /nfs/dbraw/zinc/78/15/86/437781586.db2.gz SMCKMRYDGNHQLH-UHFFFAOYSA-N 0 3 325.369 0.309 20 5 ECBDHN CN(C)CC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356531312 437781591 /nfs/dbraw/zinc/78/15/91/437781591.db2.gz SMCKMRYDGNHQLH-UHFFFAOYSA-N 0 3 325.369 0.309 20 5 ECBDHN CN(CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC[NH+](C)C ZINC000356531312 437781595 /nfs/dbraw/zinc/78/15/95/437781595.db2.gz SMCKMRYDGNHQLH-UHFFFAOYSA-N 0 3 325.369 0.309 20 5 ECBDHN Cc1c(C(=O)NC[C@@H]2CNCCO2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000423984390 437870278 /nfs/dbraw/zinc/87/02/78/437870278.db2.gz BMVOHLZVFYEBPK-ZDUSSCGKSA-N 0 3 346.347 0.202 20 5 ECBDHN C[C@@H]1CN(CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000347171015 437844625 /nfs/dbraw/zinc/84/46/25/437844625.db2.gz UKSFNGHZJLFUGY-GFCCVEGCSA-N 0 3 325.369 0.408 20 5 ECBDHN CN1CCC(n2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)n2)CC1 ZINC000365873040 437982263 /nfs/dbraw/zinc/98/22/63/437982263.db2.gz LLCNGDVUCAXRQY-UHFFFAOYSA-N 0 3 333.352 0.893 20 5 ECBDHN O=C(C[C@@H]1CNCCO1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000430773177 438122080 /nfs/dbraw/zinc/12/20/80/438122080.db2.gz RBGCENJAYLGDOL-WCQYABFASA-N 0 3 335.364 0.381 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000358044486 438129404 /nfs/dbraw/zinc/12/94/04/438129404.db2.gz IRBCDWFDYRFDMN-OAHLLOKOSA-N 0 3 337.332 0.162 20 5 ECBDHN O=C(NC[C@H]1CNCCO1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418777565 438186787 /nfs/dbraw/zinc/18/67/87/438186787.db2.gz YQLOFRDBPUZDHM-CYBMUJFWSA-N 0 3 336.348 0.487 20 5 ECBDHN NC[C@H](NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000418866646 438226932 /nfs/dbraw/zinc/22/69/32/438226932.db2.gz KZOWCIPBUIHMCE-HNNXBMFYSA-N 0 3 348.403 0.887 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cnc2c(c1)CNCC2 ZINC000378395763 438383555 /nfs/dbraw/zinc/38/35/55/438383555.db2.gz BVSCBYLBZTUOKY-UHFFFAOYSA-N 0 3 329.316 0.436 20 5 ECBDHN CN(C[C@H]1CCCN1C)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000420635851 438417183 /nfs/dbraw/zinc/41/71/83/438417183.db2.gz MMVYGIKUVZISDA-SNVBAGLBSA-N 0 3 328.394 0.773 20 5 ECBDHN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000447250284 438675115 /nfs/dbraw/zinc/67/51/15/438675115.db2.gz YZCQHQUBTMSWTQ-MRVPVSSYSA-N 0 3 331.350 0.239 20 5 ECBDHN CN(C)CC(C)(C)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000457216889 438799631 /nfs/dbraw/zinc/79/96/31/438799631.db2.gz GGJYONFXBBNJCO-UHFFFAOYSA-N 0 3 348.359 0.647 20 5 ECBDHN CCN1CCN([C@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)CC1 ZINC000587972521 438810988 /nfs/dbraw/zinc/81/09/88/438810988.db2.gz PXPVDVAUPQSRQX-AWEZNQCLSA-N 0 3 349.435 0.886 20 5 ECBDHN C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCN1CC(C)(C)O ZINC000588027255 438814861 /nfs/dbraw/zinc/81/48/61/438814861.db2.gz YMOJFFNHASNYSA-LLVKDONJSA-N 0 3 338.408 0.951 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601129728 438820232 /nfs/dbraw/zinc/82/02/32/438820232.db2.gz ABRDKQOLTVYGQD-GFCCVEGCSA-N 0 3 337.355 0.872 20 5 ECBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)CN(C)C)cc1SC ZINC000588865165 438846185 /nfs/dbraw/zinc/84/61/85/438846185.db2.gz WWSHHLUCNUXMNL-VIFPVBQESA-N 0 3 343.405 0.978 20 5 ECBDHN COC(=O)c1cc(C(=O)N[C@@H](CO)CN(C)C)cc([N+](=O)[O-])c1 ZINC000588865108 438846213 /nfs/dbraw/zinc/84/62/13/438846213.db2.gz SWGILDLWBDKTFZ-LLVKDONJSA-N 0 3 325.321 0.034 20 5 ECBDHN O=C1CC[C@@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595742153 438854120 /nfs/dbraw/zinc/85/41/20/438854120.db2.gz OOLJOAUTZFFYLH-XPKDYRNWSA-N 0 3 349.387 0.935 20 5 ECBDHN CN1CCN(c2ccncc2NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000516209182 438898375 /nfs/dbraw/zinc/89/83/75/438898375.db2.gz FAKONAAAMNZALZ-UHFFFAOYSA-N 0 3 345.363 0.577 20 5 ECBDHN CCn1cc(S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000596052552 438919308 /nfs/dbraw/zinc/91/93/08/438919308.db2.gz USMOOKCQEMCEME-ZETCQYMHSA-N 0 3 345.303 0.321 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590444199 438925451 /nfs/dbraw/zinc/92/54/51/438925451.db2.gz MCTOYAOKWDYNCG-DZGCQCFKSA-N 0 3 346.387 0.796 20 5 ECBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC(CN3CCN(C)CC3)C2)c1 ZINC000590563253 438931980 /nfs/dbraw/zinc/93/19/80/438931980.db2.gz SROIYDACMDEVPG-UHFFFAOYSA-N 0 3 348.403 0.923 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000565238833 438935761 /nfs/dbraw/zinc/93/57/61/438935761.db2.gz IHIQQXIABPKGTO-VXGBXAGGSA-N 0 3 347.375 0.167 20 5 ECBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516938128 438939839 /nfs/dbraw/zinc/93/98/39/438939839.db2.gz JVQQUCUWKKVCEJ-DGCLKSJQSA-N 0 3 332.360 0.596 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596461674 438966830 /nfs/dbraw/zinc/96/68/30/438966830.db2.gz HXMWNJVOICMUEN-UHFFFAOYSA-N 0 3 346.391 0.994 20 5 ECBDHN CC(C)[C@H](N)C(=O)NCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000566247349 439032040 /nfs/dbraw/zinc/03/20/40/439032040.db2.gz DOSMASVZFCMERO-AWEZNQCLSA-N 0 3 338.364 0.189 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](CO)[C@H](O)C1 ZINC000566761046 439087014 /nfs/dbraw/zinc/08/70/14/439087014.db2.gz CEDWGOMBHBZVOI-SWLSCSKDSA-N 0 3 337.376 0.907 20 5 ECBDHN COc1nc(C)cc(C)c1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591737044 439077420 /nfs/dbraw/zinc/07/74/20/439077420.db2.gz SKKPGFFXWZHNOY-ZDUSSCGKSA-N 0 3 335.364 0.962 20 5 ECBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000591756649 439080775 /nfs/dbraw/zinc/08/07/75/439080775.db2.gz MRXPVJZIJZDUEL-HEHGZKQESA-N 0 3 339.392 0.643 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CC(C)(C)O)C[C@H]1C ZINC000602816303 439140605 /nfs/dbraw/zinc/14/06/05/439140605.db2.gz UXXSLHFTEYOWKN-GFCCVEGCSA-N 0 3 325.413 0.877 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567754044 439173556 /nfs/dbraw/zinc/17/35/56/439173556.db2.gz PBJFUJOJIXUOCP-QWRGUYRKSA-N 0 3 349.347 0.379 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000597655630 439149279 /nfs/dbraw/zinc/14/92/79/439149279.db2.gz ZFNDTMYLCRPDQG-QMMMGPOBSA-N 0 3 333.291 0.849 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000581569462 439229676 /nfs/dbraw/zinc/22/96/76/439229676.db2.gz DPDHNPRODQKILT-HNNXBMFYSA-N 0 3 337.380 0.063 20 5 ECBDHN C[C@H](CN1CCC(C)CC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000598261125 439245627 /nfs/dbraw/zinc/24/56/27/439245627.db2.gz FBQDGXNJNZBETR-CYBMUJFWSA-N 0 3 336.392 0.993 20 5 ECBDHN Cc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c(C)c1[N+](=O)[O-] ZINC000598716252 439307298 /nfs/dbraw/zinc/30/72/98/439307298.db2.gz DXXZVJXXDSQDRR-LBPRGKRZSA-N 0 3 342.421 0.475 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCOCCC[NH3+] ZINC000599110090 439361705 /nfs/dbraw/zinc/36/17/05/439361705.db2.gz GELBIEXHKGRIBV-UHFFFAOYSA-N 0 3 333.366 0.247 20 5 ECBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000599244981 439397429 /nfs/dbraw/zinc/39/74/29/439397429.db2.gz OUXZDVAZBRIHNS-GHMZBOCLSA-N 0 3 345.425 0.679 20 5 ECBDHN CN(C)CCN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1=O ZINC000593485971 439386875 /nfs/dbraw/zinc/38/68/75/439386875.db2.gz DTLYKLVJMFLZOA-UHFFFAOYSA-N 0 3 332.364 0.681 20 5 ECBDHN NC[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000570333014 439411138 /nfs/dbraw/zinc/41/11/38/439411138.db2.gz HRKLGZJSIQIHES-GFCCVEGCSA-N 0 3 329.378 0.028 20 5 ECBDHN O=C(NCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000583512808 439476238 /nfs/dbraw/zinc/47/62/38/439476238.db2.gz BIHVNMBWZMHUCP-CYBMUJFWSA-N 0 3 349.343 0.947 20 5 ECBDHN CN1CCC(N2CC[C@@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC000594287438 439535688 /nfs/dbraw/zinc/53/56/88/439535688.db2.gz AUMXQCYMSVKQIX-LLVKDONJSA-N 0 3 348.407 0.470 20 5 ECBDHN Nc1nccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000594315523 439541122 /nfs/dbraw/zinc/54/11/22/439541122.db2.gz ZUZQYNRLIMZGFO-NSHDSACASA-N 0 3 335.364 0.555 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(N3CCCC3)nc2)c1 ZINC000584108184 439548703 /nfs/dbraw/zinc/54/87/03/439548703.db2.gz QRKFNRRAPFQQGO-OAHLLOKOSA-N 0 3 346.391 0.937 20 5 ECBDHN NC[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000594452097 439562701 /nfs/dbraw/zinc/56/27/01/439562701.db2.gz YFHSEUYIKVSNIQ-JTQLQIEISA-N 0 3 344.253 0.795 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CN)C(F)(F)F ZINC000594451640 439562729 /nfs/dbraw/zinc/56/27/29/439562729.db2.gz PXWZVJXKCLYCPY-GMSGAONNSA-N 0 3 348.281 0.719 20 5 ECBDHN NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000609306888 439562876 /nfs/dbraw/zinc/56/28/76/439562876.db2.gz IOORVTAFEGLVDD-LBPRGKRZSA-N 0 3 335.364 0.477 20 5 ECBDHN NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000609306888 439562882 /nfs/dbraw/zinc/56/28/82/439562882.db2.gz IOORVTAFEGLVDD-LBPRGKRZSA-N 0 3 335.364 0.477 20 5 ECBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000609306888 439562886 /nfs/dbraw/zinc/56/28/86/439562886.db2.gz IOORVTAFEGLVDD-LBPRGKRZSA-N 0 3 335.364 0.477 20 5 ECBDHN Cc1ccc(NC(=O)C(=O)N[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594533842 439574558 /nfs/dbraw/zinc/57/45/58/439574558.db2.gz QMJJQTGPRONARF-VIFPVBQESA-N 0 3 334.254 0.848 20 5 ECBDHN Cn1c(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000609664621 439583892 /nfs/dbraw/zinc/58/38/92/439583892.db2.gz CNXFLSYCTCVVQV-ZDUSSCGKSA-N 0 3 335.408 0.785 20 5 ECBDHN C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000493069767 439600006 /nfs/dbraw/zinc/60/00/06/439600006.db2.gz JBKKHXNSQQBZDN-GUOLPTJISA-N 0 3 334.376 0.791 20 5 ECBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000610296342 439609151 /nfs/dbraw/zinc/60/91/51/439609151.db2.gz AQDQPIDNSXYGAP-CQSZACIVSA-N 0 3 344.375 0.919 20 5 ECBDHN CN1CCN(C)[C@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000573597858 439654617 /nfs/dbraw/zinc/65/46/17/439654617.db2.gz WZRBOQNXLRDDRC-CABCVRRESA-N 0 3 338.408 0.170 20 5 ECBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCC1 ZINC000610969072 439663936 /nfs/dbraw/zinc/66/39/36/439663936.db2.gz KCJLZIXKIVPLGF-ZDUSSCGKSA-N 0 3 334.376 0.843 20 5 ECBDHN COc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000595231232 439676431 /nfs/dbraw/zinc/67/64/31/439676431.db2.gz NYELLBAHGRZGQK-WDEREUQCSA-N 0 3 349.347 0.379 20 5 ECBDHN CN1CC(=O)N(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000595478612 439732786 /nfs/dbraw/zinc/73/27/86/439732786.db2.gz BXZIGGSBQUAZJX-UHFFFAOYSA-N 0 3 336.352 0.322 20 5 ECBDHN C[C@H]1CN(C)C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349684500 321312907 /nfs/dbraw/zinc/31/29/07/321312907.db2.gz KLXYZEPJDBIRAE-SMDDNHRTSA-N 0 3 327.406 0.908 20 5 ECBDHN COc1ccc(CC(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000532789953 322061263 /nfs/dbraw/zinc/06/12/63/322061263.db2.gz WOKMMMZXBZLDOL-OAHLLOKOSA-N 0 3 325.365 0.575 20 5 ECBDHN CCN(CCO)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000546718816 322120816 /nfs/dbraw/zinc/12/08/16/322120816.db2.gz DVMMFBZQUZRXPP-UHFFFAOYSA-N 0 3 325.365 0.576 20 5 ECBDHN CN(CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000560329048 322233669 /nfs/dbraw/zinc/23/36/69/322233669.db2.gz SZVFQJPPFWUCQG-UHFFFAOYSA-N 0 3 346.387 0.690 20 5 ECBDHN C[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000573336931 322760289 /nfs/dbraw/zinc/76/02/89/322760289.db2.gz AVYQEKXEMCJJHN-HERUPUMHSA-N 0 3 325.340 0.971 20 5 ECBDHN O=c1[nH]c2ccccc2n1CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578006328 322852705 /nfs/dbraw/zinc/85/27/05/322852705.db2.gz BKHNNWOVSFRKSY-LBPRGKRZSA-N 0 3 346.347 0.497 20 5 ECBDHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000579142460 322887974 /nfs/dbraw/zinc/88/79/74/322887974.db2.gz PDUJZGFGRXEDBT-DMDPSCGWSA-N 0 3 347.375 0.609 20 5 ECBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000183924463 528546106 /nfs/dbraw/zinc/54/61/06/528546106.db2.gz HROKTOIVLSOELU-UHFFFAOYSA-N 0 3 326.309 0.547 20 5 ECBDHN CN1CCC[C@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000264922968 536391744 /nfs/dbraw/zinc/39/17/44/536391744.db2.gz QFEZJVMVURJXGX-JTQLQIEISA-N 0 3 346.343 0.401 20 5 ECBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000779547274 579317227 /nfs/dbraw/zinc/31/72/27/579317227.db2.gz NZTJEXFIPIHJFB-CQSZACIVSA-N 0 3 340.336 0.936 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000762719867 579546714 /nfs/dbraw/zinc/54/67/14/579546714.db2.gz RWQSNYUPIIPVGP-OAHLLOKOSA-N 0 3 333.348 0.127 20 5 ECBDHN O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2nnn[n-]2)c1 ZINC000738373504 579625128 /nfs/dbraw/zinc/62/51/28/579625128.db2.gz DWCXUFACBKJVSU-ONGXEEELSA-N 0 3 346.351 0.445 20 5 ECBDHN O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2nnn[n-]2)c1 ZINC000738373504 579625130 /nfs/dbraw/zinc/62/51/30/579625130.db2.gz DWCXUFACBKJVSU-ONGXEEELSA-N 0 3 346.351 0.445 20 5 ECBDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000907564241 586736174 /nfs/dbraw/zinc/73/61/74/586736174.db2.gz MEPNHJWGEGUDEZ-MFKMUULPSA-N 0 3 326.378 0.562 20 5 ECBDHN O=C(N[C@@H](CO)CN1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000808222426 587150385 /nfs/dbraw/zinc/15/03/85/587150385.db2.gz WOXKLZCBLFNFNQ-SNVBAGLBSA-N 0 3 333.348 0.658 20 5 ECBDHN CC(COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)[N+](=O)[O-] ZINC000813105346 587248249 /nfs/dbraw/zinc/24/82/49/587248249.db2.gz XSMNAZBKEPUTRS-FYLLDIAZSA-N 0 3 331.394 0.921 20 5 ECBDHN O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000824302755 587866892 /nfs/dbraw/zinc/86/68/92/587866892.db2.gz DECYCEBJPLKEPC-ZJIFWQFVSA-N 0 3 331.372 0.976 20 5 ECBDHN CN(C)CCN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000844376272 589109762 /nfs/dbraw/zinc/10/97/62/589109762.db2.gz REOIDTJESGEKAJ-HNNXBMFYSA-N 0 3 336.392 0.334 20 5 ECBDHN CC([C@@H](OC(=O)[C@H]1CCS(=O)(=O)N1)c1ccccc1F)[N+](=O)[O-] ZINC000845876555 589173747 /nfs/dbraw/zinc/17/37/47/589173747.db2.gz HMQUGQGHIYZWSH-GGZOMVNGSA-N 0 3 346.336 0.767 20 5 ECBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000850848619 589387665 /nfs/dbraw/zinc/38/76/65/589387665.db2.gz CRFHJYLORSQXJE-UHFFFAOYSA-N 0 3 336.323 0.931 20 5 ECBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCCN1CC[C@@H](O)C1 ZINC000858813003 589775558 /nfs/dbraw/zinc/77/55/58/589775558.db2.gz YAFGLFAKNNNCPS-CYBMUJFWSA-N 0 3 334.376 0.966 20 5 ECBDHN CNc1c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000861714160 589878363 /nfs/dbraw/zinc/87/83/63/589878363.db2.gz IOWANYUGDOTNRV-VXGBXAGGSA-N 0 3 334.376 0.918 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000863329256 590005127 /nfs/dbraw/zinc/00/51/27/590005127.db2.gz NDXHTYBGJZVHCK-SSDOTTSWSA-N 0 3 345.308 0.324 20 5 ECBDHN CN1CCN(C2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000879070867 590562073 /nfs/dbraw/zinc/56/20/73/590562073.db2.gz AJPRFUNEKBUVFA-UHFFFAOYSA-N 0 3 348.407 0.655 20 5 ECBDHN C[C@H]1[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000925316159 611468014 /nfs/dbraw/zinc/46/80/14/611468014.db2.gz XBQFDZWOLIGVQS-GXTWGEPZSA-N 0 3 348.407 0.914 20 5 ECBDHN Cc1nccn1CC(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000948970107 611777356 /nfs/dbraw/zinc/77/73/56/611777356.db2.gz OCHJCFZPYIUNTD-ZIAGYGMSSA-N 0 3 349.391 0.212 20 5 ECBDHN COc1ncccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775528 739944350 /nfs/dbraw/zinc/94/43/50/739944350.db2.gz FBVBCGBMFHQZKW-RGDJUOJXSA-N 0 3 332.360 0.302 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]ncc1F ZINC001026019742 740314828 /nfs/dbraw/zinc/31/48/28/740314828.db2.gz RAESCLSQVZMEQM-VROVMSAKSA-N 0 3 349.326 0.051 20 5 ECBDHN Cn1nncc1CN1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC000982278453 751849895 /nfs/dbraw/zinc/84/98/95/751849895.db2.gz DJBKGEKGXRTHNF-XOUADPBQSA-N 0 3 348.407 0.151 20 5 ECBDHN CN(Cc1ccn(C)n1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964542 750114880 /nfs/dbraw/zinc/11/48/80/750114880.db2.gz OBFUKMFJNFQMQT-HUUCEWRRSA-N 0 3 335.408 0.756 20 5 ECBDHN NC(=O)CC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000990423171 755152118 /nfs/dbraw/zinc/15/21/18/755152118.db2.gz OHRQPKIOQZFPQP-UHFFFAOYSA-N 0 3 326.378 0.612 20 5 ECBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(NCc2nnc(C3CC3)o2)CC1 ZINC000996429653 757659324 /nfs/dbraw/zinc/65/93/24/757659324.db2.gz RLDCVIDHBSTDQC-VXGBXAGGSA-N 0 3 335.364 0.693 20 5 ECBDHN Cc1nonc1CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525297 760662628 /nfs/dbraw/zinc/66/26/28/760662628.db2.gz SVTCKGUHTIXUBA-WPLOAARJSA-N 0 3 349.391 0.902 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CN1CC(CNC(=O)c2[nH]ncc2F)C1 ZINC001031954691 763774881 /nfs/dbraw/zinc/77/48/81/763774881.db2.gz HDWJALDUIZZPAU-UHFFFAOYSA-N 0 3 337.315 0.052 20 5 ECBDHN COc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)ncn1 ZINC001127458315 771261483 /nfs/dbraw/zinc/26/14/83/771261483.db2.gz DDFYQPOCHQGIHZ-UHFFFAOYSA-N 0 3 331.332 0.913 20 5 ECBDHN O=C(N[C@H]1C[C@H](NCc2nnc(-c3ccco3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139861 772207366 /nfs/dbraw/zinc/20/73/66/772207366.db2.gz PMIITYJGWLIWIE-GWOFURMSSA-N 0 3 347.331 0.732 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425546060 210069883 /nfs/dbraw/zinc/06/98/83/210069883.db2.gz KMRAGTGKISLXDL-NEPJUHHUSA-N 0 3 333.348 0.942 20 5 ECBDHN COc1ccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1O ZINC000080985386 217347338 /nfs/dbraw/zinc/34/73/38/217347338.db2.gz ZEWJKZDHFWRRQK-CYBMUJFWSA-N 0 3 336.348 0.998 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](OCCO)C2)c1 ZINC000265198739 247289470 /nfs/dbraw/zinc/28/94/70/247289470.db2.gz JAIXLQPZFBWUMI-GDBMZVCRSA-N 0 3 340.376 0.808 20 5 ECBDHN CC(C)(C(=O)N[C@H](CO)CN1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000413806129 208354697 /nfs/dbraw/zinc/35/46/97/208354697.db2.gz FACDEPIAWUSAHK-LBPRGKRZSA-N 0 3 339.396 0.489 20 5 ECBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000119554150 221346720 /nfs/dbraw/zinc/34/67/20/221346720.db2.gz ZZNLOIJLNVVBMF-JSGCOSHPSA-N 0 3 344.375 0.823 20 5 ECBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCNCC1 ZINC000261964841 165270492 /nfs/dbraw/zinc/27/04/92/165270492.db2.gz AYEHVSOLEFYKLT-CYBMUJFWSA-N 0 3 348.407 0.298 20 5 ECBDHN COC[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC[NH2+]1 ZINC000262343474 165332936 /nfs/dbraw/zinc/33/29/36/165332936.db2.gz SYDGDYLTRWNUNM-LLVKDONJSA-N 0 3 335.407 0.703 20 5 ECBDHN CCC[NH+]1CCC([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 ZINC000331216181 296908852 /nfs/dbraw/zinc/90/88/52/296908852.db2.gz DKRVOKVMEZOPRR-UHFFFAOYSA-N 0 3 345.425 0.964 20 5 ECBDHN COCCNCCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000262666255 263177222 /nfs/dbraw/zinc/17/72/22/263177222.db2.gz OWXQAISOXZIWQX-UHFFFAOYSA-N 0 3 327.337 0.578 20 5 ECBDHN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)CCN(C)C ZINC000267067119 263180289 /nfs/dbraw/zinc/18/02/89/263180289.db2.gz HYJVVWMJMROBTN-UHFFFAOYSA-N 0 3 346.409 0.775 20 5 ECBDHN C[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C)CN1 ZINC000272555017 263352078 /nfs/dbraw/zinc/35/20/78/263352078.db2.gz LCTVYJNYSFDHMR-QWRGUYRKSA-N 0 3 330.348 0.998 20 5 ECBDHN CCN(CC)CCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272965200 263383089 /nfs/dbraw/zinc/38/30/89/263383089.db2.gz SDRDHDHZUKVJEO-UHFFFAOYSA-N 0 3 338.364 1.000 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193479292 277056368 /nfs/dbraw/zinc/05/63/68/277056368.db2.gz WLCUNEQJRRMZJN-CQSZACIVSA-N 0 3 333.392 0.920 20 5 ECBDHN CN1CC[C@@H]2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@@H]21 ZINC000371702653 277146770 /nfs/dbraw/zinc/14/67/70/277146770.db2.gz ZCBQZXSVQDCCMG-MFKMUULPSA-N 0 3 340.405 0.773 20 5 ECBDHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423729024 278245648 /nfs/dbraw/zinc/24/56/48/278245648.db2.gz WOGJOIMNTXENQG-LBPRGKRZSA-N 0 3 349.391 0.049 20 5 ECBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C[C@H]1CCCOC1 ZINC000344352843 298008645 /nfs/dbraw/zinc/00/86/45/298008645.db2.gz ZOVRTRIYOHMQCV-GFCCVEGCSA-N 0 3 343.405 0.889 20 5 ECBDHN C[C@H](CN(C)C)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000346181951 298234061 /nfs/dbraw/zinc/23/40/61/298234061.db2.gz CENRRAVDEGICIF-SECBINFHSA-N 0 3 334.332 0.257 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363104347 300246883 /nfs/dbraw/zinc/24/68/83/300246883.db2.gz OHXYCZGZVIIHIL-HIFRSBDPSA-N 0 3 335.360 0.953 20 5 ECBDHN CC(C)(O)CN1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000364618507 300372592 /nfs/dbraw/zinc/37/25/92/300372592.db2.gz YAAHOLKUGKPSKB-UHFFFAOYSA-N 0 3 339.396 0.487 20 5 ECBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000083246456 436369968 /nfs/dbraw/zinc/36/99/68/436369968.db2.gz IKZRLENXLPKIHS-AWEZNQCLSA-N 0 3 339.392 0.599 20 5 ECBDHN CN1CCC[C@H](CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000091482881 436450926 /nfs/dbraw/zinc/45/09/26/436450926.db2.gz FVHVBDMLPJEDRK-SNVBAGLBSA-N 0 3 328.394 0.996 20 5 ECBDHN CN1CCC[C@@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000108461976 436618713 /nfs/dbraw/zinc/61/87/13/436618713.db2.gz DJDKLRGBHXZWOM-LBPRGKRZSA-N 0 3 334.376 0.783 20 5 ECBDHN COC[C@@](C)(CCO)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273282915 436743273 /nfs/dbraw/zinc/74/32/73/436743273.db2.gz DMJGBRPAMCLXCU-IUODEOHRSA-N 0 3 328.365 0.712 20 5 ECBDHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000293977380 436922950 /nfs/dbraw/zinc/92/29/50/436922950.db2.gz BVBMPCWLOKQHKC-CYBMUJFWSA-N 0 3 345.359 0.467 20 5 ECBDHN CN(C)CCn1nccc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000293995097 436925443 /nfs/dbraw/zinc/92/54/43/436925443.db2.gz HKCSFVKCVKEHPI-UHFFFAOYSA-N 0 3 334.336 0.153 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NCC1CCN(CCO)CC1 ZINC000160573268 436876202 /nfs/dbraw/zinc/87/62/02/436876202.db2.gz LMZLCBRGXZPXKY-UHFFFAOYSA-N 0 3 337.376 0.794 20 5 ECBDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000161447382 436892259 /nfs/dbraw/zinc/89/22/59/436892259.db2.gz RCBMJFWBOIYOFW-CYBMUJFWSA-N 0 3 331.394 0.327 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000162632475 436910004 /nfs/dbraw/zinc/91/00/04/436910004.db2.gz DAEFKPBRVPVMDU-ZDUSSCGKSA-N 0 3 336.396 0.030 20 5 ECBDHN COc1cc(CN2C(C)C(=O)N(C)S2(=O)=O)c([N+](=O)[O-])cc1F ZINC000295411287 436967368 /nfs/dbraw/zinc/96/73/68/436967368.db2.gz SPOJWRYURNWXKE-ZETCQYMHSA-N 0 3 347.324 0.650 20 5 ECBDHN CN(C[C@@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000298111851 437028419 /nfs/dbraw/zinc/02/84/19/437028419.db2.gz OIWOWUPGTXPSGL-CQSZACIVSA-N 0 3 335.408 0.567 20 5 ECBDHN COCCN(C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000263802663 436989241 /nfs/dbraw/zinc/98/92/41/436989241.db2.gz UEFVPDOUTCITNW-UHFFFAOYSA-N 0 3 339.348 0.674 20 5 ECBDHN CN(C)C[C@H]1CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000263920295 437002337 /nfs/dbraw/zinc/00/23/37/437002337.db2.gz RGQPGPGZWHGFEI-CQSZACIVSA-N 0 3 334.376 0.877 20 5 ECBDHN CCCNC(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173472397 437052937 /nfs/dbraw/zinc/05/29/37/437052937.db2.gz RWJFKZKJMMSLBG-CQSZACIVSA-N 0 3 339.396 0.390 20 5 ECBDHN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[C@H](N3CCCC3)C2)c1 ZINC000301167174 437115488 /nfs/dbraw/zinc/11/54/88/437115488.db2.gz VKJGVDAGQVBCJT-NSHDSACASA-N 0 3 340.405 0.917 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000287406211 437186392 /nfs/dbraw/zinc/18/63/92/437186392.db2.gz OGYNNQXMHYZWMR-MCIONIFRSA-N 0 3 326.349 0.152 20 5 ECBDHN O=C1C[C@@]2(CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278858122 437350515 /nfs/dbraw/zinc/35/05/15/437350515.db2.gz KYUYBUJNUOAWDR-BBRMVZONSA-N 0 3 335.360 0.547 20 5 ECBDHN CN1CCC(CCO)(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000354147261 437541689 /nfs/dbraw/zinc/54/16/89/437541689.db2.gz GYESLPRWJQJRNG-UHFFFAOYSA-N 0 3 337.376 0.937 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-][C@H](C)C[NH+](CC)CC)c([N+](=O)[O-])n1 ZINC000360012738 437503152 /nfs/dbraw/zinc/50/31/52/437503152.db2.gz WCAWJNJBLJGGPI-SNVBAGLBSA-N 0 3 333.414 0.820 20 5 ECBDHN CN(C)CC[N@H+](C)CCCN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000290734503 437523875 /nfs/dbraw/zinc/52/38/75/437523875.db2.gz WVMXOVUHPZWWSY-UHFFFAOYSA-N 0 3 339.396 0.651 20 5 ECBDHN CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000290734503 437523877 /nfs/dbraw/zinc/52/38/77/437523877.db2.gz WVMXOVUHPZWWSY-UHFFFAOYSA-N 0 3 339.396 0.651 20 5 ECBDHN CN(CCCN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC[NH+](C)C ZINC000290734503 437523880 /nfs/dbraw/zinc/52/38/80/437523880.db2.gz WVMXOVUHPZWWSY-UHFFFAOYSA-N 0 3 339.396 0.651 20 5 ECBDHN COc1ccc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000192915256 437696259 /nfs/dbraw/zinc/69/62/59/437696259.db2.gz NZAHKGLAHPTKAX-PHIMTYICSA-N 0 3 341.389 0.786 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2CCN[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000423606336 437774005 /nfs/dbraw/zinc/77/40/05/437774005.db2.gz KCOFPSOUTDTOFL-NWDGAFQWSA-N 0 3 334.376 0.842 20 5 ECBDHN CN1CCC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000372839519 438114940 /nfs/dbraw/zinc/11/49/40/438114940.db2.gz SJSYGIKUNVDNSW-UHFFFAOYSA-N 0 3 334.376 0.843 20 5 ECBDHN CN1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000351486280 438268953 /nfs/dbraw/zinc/26/89/53/438268953.db2.gz MSSZVDZHYNZIEB-OLZOCXBDSA-N 0 3 330.348 0.400 20 5 ECBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000378314693 438375866 /nfs/dbraw/zinc/37/58/66/438375866.db2.gz LDJZKJYBCUGFER-GRYCIOLGSA-N 0 3 337.380 0.937 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](c3ccncn3)C2)c1 ZINC000369783916 438514480 /nfs/dbraw/zinc/51/44/80/438514480.db2.gz XICGMQUCTBXBRP-JSGCOSHPSA-N 0 3 332.364 0.822 20 5 ECBDHN CN(CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000353847572 438544105 /nfs/dbraw/zinc/54/41/05/438544105.db2.gz QABVKXZRQHXMKG-UHFFFAOYSA-N 0 3 349.391 0.604 20 5 ECBDHN O=[N+]([O-])c1cnc(NCCCCN2CCN(CCO)CC2)s1 ZINC000443507306 438653065 /nfs/dbraw/zinc/65/30/65/438653065.db2.gz APKPDWKLIFUHJA-UHFFFAOYSA-N 0 3 329.426 0.853 20 5 ECBDHN CNc1nc(C(=O)N(CCOC)CCN(C)C)ccc1[N+](=O)[O-] ZINC000455456982 438746240 /nfs/dbraw/zinc/74/62/40/438746240.db2.gz BMSJIRFARPDDLT-UHFFFAOYSA-N 0 3 325.369 0.682 20 5 ECBDHN COCCN(C)C[C@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000576122085 438770450 /nfs/dbraw/zinc/77/04/50/438770450.db2.gz VWHJRQBFXQRBHT-AWEZNQCLSA-N 0 3 339.392 0.597 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576123553 438770576 /nfs/dbraw/zinc/77/05/76/438770576.db2.gz PTDXXSFVUSTDAJ-GHMZBOCLSA-N 0 3 349.347 0.379 20 5 ECBDHN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000556903926 438794593 /nfs/dbraw/zinc/79/45/93/438794593.db2.gz GJJAKTQPLIMERE-LLVKDONJSA-N 0 3 338.364 0.156 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000595612535 438834943 /nfs/dbraw/zinc/83/49/43/438834943.db2.gz RBGZUDJLGDDLIZ-UKRRQHHQSA-N 0 3 347.375 0.948 20 5 ECBDHN CCCc1[nH]nc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861921 438846287 /nfs/dbraw/zinc/84/62/87/438846287.db2.gz YNWXNFAVEHXEEL-GHMZBOCLSA-N 0 3 337.380 0.552 20 5 ECBDHN CCCc1n[nH]c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861921 438846293 /nfs/dbraw/zinc/84/62/93/438846293.db2.gz YNWXNFAVEHXEEL-GHMZBOCLSA-N 0 3 337.380 0.552 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590045247 438899390 /nfs/dbraw/zinc/89/93/90/438899390.db2.gz OEUOIEUGGWZDJM-LNSITVRQSA-N 0 3 346.387 0.876 20 5 ECBDHN CC(C)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F ZINC000578470166 438927133 /nfs/dbraw/zinc/92/71/33/438927133.db2.gz RHRBONGBTZTPCM-DCAQKATOSA-N 0 3 340.302 0.690 20 5 ECBDHN CN1CCN(CC2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000590561822 438932954 /nfs/dbraw/zinc/93/29/54/438932954.db2.gz HSQVVVABXZKWLQ-UHFFFAOYSA-N 0 3 332.404 0.843 20 5 ECBDHN Nc1ccc(NC[C@@H](O)CN2CCc3ccccc3C2)nc1[N+](=O)[O-] ZINC000590573621 438935246 /nfs/dbraw/zinc/93/52/46/438935246.db2.gz WRSCDVAERRMWQO-CQSZACIVSA-N 0 3 343.387 1.403 20 5 ECBDHN CN1CC=C(CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596184419 438938742 /nfs/dbraw/zinc/93/87/42/438938742.db2.gz GYQZYMJNXXMBMV-UHFFFAOYSA-N 0 3 326.378 0.916 20 5 ECBDHN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])c(N(C)CC2CN(C)C2)n1 ZINC000596454742 438964210 /nfs/dbraw/zinc/96/42/10/438964210.db2.gz UDBTVVLLMRRXCD-UHFFFAOYSA-N 0 3 348.451 0.985 20 5 ECBDHN CCn1c(C)nc([N+](=O)[O-])c1N(CCN(C)C)CC(=O)N(C)C ZINC000596460822 438966735 /nfs/dbraw/zinc/96/67/35/438966735.db2.gz BQLSYOZWKAMBFM-UHFFFAOYSA-N 0 3 326.401 0.576 20 5 ECBDHN CC1(C)CNCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000591678170 439061037 /nfs/dbraw/zinc/06/10/37/439061037.db2.gz LPSQMHLMKLVNTF-UHFFFAOYSA-N 0 3 330.348 1.000 20 5 ECBDHN CN(C)c1ncc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)n1C ZINC000566791961 439088104 /nfs/dbraw/zinc/08/81/04/439088104.db2.gz HLKAXDHSOMXDLN-AWEZNQCLSA-N 0 3 349.391 0.924 20 5 ECBDHN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520229140 439074060 /nfs/dbraw/zinc/07/40/60/439074060.db2.gz BZGFTKFDWJLKPB-BDAKNGLRSA-N 0 3 345.377 0.770 20 5 ECBDHN O=C1C[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000581126441 439172517 /nfs/dbraw/zinc/17/25/17/439172517.db2.gz LVBVIGILGVEBTL-BXUZGUMPSA-N 0 3 335.360 0.687 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000597654243 439149764 /nfs/dbraw/zinc/14/97/64/439149764.db2.gz QRDPEWWDLWHFAR-LLVKDONJSA-N 0 3 348.359 0.561 20 5 ECBDHN CCc1n[nH]c(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000597694804 439160801 /nfs/dbraw/zinc/16/08/01/439160801.db2.gz NXOBYQGAMUGCFA-RYUDHWBXSA-N 0 3 337.380 0.816 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCc1nnc2n1CCC2 ZINC000567679360 439163172 /nfs/dbraw/zinc/16/31/72/439163172.db2.gz UJXATAJVYAHZOM-LBPRGKRZSA-N 0 3 347.375 0.705 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCNCC1(C)C ZINC000592472682 439236427 /nfs/dbraw/zinc/23/64/27/439236427.db2.gz ZKZKZMXQUGZIRI-NSHDSACASA-N 0 3 334.376 0.924 20 5 ECBDHN COC[C@H]1C[C@@H](O)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593066411 439336508 /nfs/dbraw/zinc/33/65/08/439336508.db2.gz CPLUGDNJBSBCOO-MGPQQGTHSA-N 0 3 326.349 0.416 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000592879496 439296878 /nfs/dbraw/zinc/29/68/78/439296878.db2.gz MFDGMSFADALXQK-JTQLQIEISA-N 0 3 338.339 0.926 20 5 ECBDHN CN1CCC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000604199878 439301960 /nfs/dbraw/zinc/30/19/60/439301960.db2.gz VMYGOSMGNPSWQO-NSHDSACASA-N 0 3 348.359 0.531 20 5 ECBDHN O=[N+]([O-])c1cnn(CCNCCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000582661123 439362843 /nfs/dbraw/zinc/36/28/43/439362843.db2.gz QOPVJPCYSBPFIV-UHFFFAOYSA-N 0 3 342.352 0.994 20 5 ECBDHN Cc1cc(C(=O)N2CCN(CCN(C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593234815 439355497 /nfs/dbraw/zinc/35/54/97/439355497.db2.gz KVLAOSXPEXWQER-UHFFFAOYSA-N 0 3 334.376 0.749 20 5 ECBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000583511174 439475016 /nfs/dbraw/zinc/47/50/16/439475016.db2.gz RZFVBTOAMOHLOP-SKDRFNHKSA-N 0 3 338.751 0.632 20 5 ECBDHN COc1ccc(OCCN2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594027970 439508947 /nfs/dbraw/zinc/50/89/47/439508947.db2.gz WXBSWYXPWYSHKU-QWHCGFSZSA-N 0 3 337.376 0.733 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000594023512 439509714 /nfs/dbraw/zinc/50/97/14/439509714.db2.gz MMGNKDCOEUOSAJ-RRFJBIMHSA-N 0 3 337.376 0.085 20 5 ECBDHN NC[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(F)(F)F ZINC000594450718 439562434 /nfs/dbraw/zinc/56/24/34/439562434.db2.gz VFHIRLLYSRGFMT-JTQLQIEISA-N 0 3 344.253 0.795 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CN)C(F)(F)F ZINC000594533186 439572909 /nfs/dbraw/zinc/57/29/09/439572909.db2.gz IXJDRGIQFBWVRF-SECBINFHSA-N 0 3 334.254 0.848 20 5 ECBDHN C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000493086200 439601689 /nfs/dbraw/zinc/60/16/89/439601689.db2.gz DQQBFULINYNJKH-PWWFUAJNSA-N 0 3 334.376 0.791 20 5 ECBDHN C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000493086201 439602089 /nfs/dbraw/zinc/60/20/89/439602089.db2.gz DQQBFULINYNJKH-UVMWJGKXSA-N 0 3 334.376 0.791 20 5 ECBDHN CN(C)c1ncc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])n1C ZINC000584586278 439603102 /nfs/dbraw/zinc/60/31/02/439603102.db2.gz SFSFQHZWGNZKMC-CYBMUJFWSA-N 0 3 349.391 0.924 20 5 ECBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000610296341 439609208 /nfs/dbraw/zinc/60/92/08/439609208.db2.gz AQDQPIDNSXYGAP-AWEZNQCLSA-N 0 3 344.375 0.919 20 5 ECBDHN CN(C)C(=O)c1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000610335830 439610574 /nfs/dbraw/zinc/61/05/74/439610574.db2.gz VRVPXFYMSCQPLE-OAHLLOKOSA-N 0 3 347.375 0.644 20 5 ECBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC1CCN([C@H]2CCOC2)CC1 ZINC000610767819 439645483 /nfs/dbraw/zinc/64/54/83/439645483.db2.gz LKIJKJVTUVSJGZ-ZDUSSCGKSA-N 0 3 337.380 0.551 20 5 ECBDHN Nc1cc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587862281 439669674 /nfs/dbraw/zinc/66/96/74/439669674.db2.gz VGSWCTPXLQOQIS-CABCVRRESA-N 0 3 336.392 0.705 20 5 ECBDHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000595264394 439684932 /nfs/dbraw/zinc/68/49/32/439684932.db2.gz XGAQMDCBMAJOBE-GDLCADMTSA-N 0 3 347.375 0.609 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1CNCCC1CS(=O)(=O)C1)OCCO2 ZINC000615728132 439805471 /nfs/dbraw/zinc/80/54/71/439805471.db2.gz BDVAZSLUFRHWAF-UHFFFAOYSA-N 0 3 342.373 0.890 20 5 ECBDHN CN(C)C[C@]1(O)CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000618923032 440177802 /nfs/dbraw/zinc/17/78/02/440177802.db2.gz BEPVIZVXQOFEOQ-MRXNPFEDSA-N 0 3 337.376 0.889 20 5 ECBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN(C)CC ZINC000346140453 321215650 /nfs/dbraw/zinc/21/56/50/321215650.db2.gz XWZYZDMXZWHJAO-NSHDSACASA-N 0 3 326.401 0.895 20 5 ECBDHN Cc1cc(S(=O)(=O)NCCOCCN(C)C)ccc1[N+](=O)[O-] ZINC000347187799 321233191 /nfs/dbraw/zinc/23/31/91/321233191.db2.gz YDJDYFFIYKNXNW-UHFFFAOYSA-N 0 3 331.394 0.760 20 5 ECBDHN Cc1ccc(NC(=O)C(=O)NCCNc2ccncc2)cc1[N+](=O)[O-] ZINC000347864900 321256271 /nfs/dbraw/zinc/25/62/71/321256271.db2.gz OBGHDWHCVYBTJC-UHFFFAOYSA-N 0 3 343.343 0.887 20 5 ECBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531887554 322047406 /nfs/dbraw/zinc/04/74/06/322047406.db2.gz HEXRWRXNDZRVOV-CQSZACIVSA-N 0 3 349.391 0.662 20 5 ECBDHN C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)NCCN(C)C ZINC000560567195 322247280 /nfs/dbraw/zinc/24/72/80/322247280.db2.gz ZZYLBBZASBHYOK-SNVBAGLBSA-N 0 3 347.375 0.872 20 5 ECBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567521142 322586600 /nfs/dbraw/zinc/58/66/00/322586600.db2.gz RJWAWHQWKCIYIP-CMPLNLGQSA-N 0 3 348.359 0.438 20 5 ECBDHN CCCc1n[nH]c(C(=O)N2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000155116088 528544534 /nfs/dbraw/zinc/54/45/34/528544534.db2.gz NLKADLRLOPBTAK-UHFFFAOYSA-N 0 3 338.412 0.590 20 5 ECBDHN CCCc1[nH]nc(C(=O)N2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000155116088 528544543 /nfs/dbraw/zinc/54/45/43/528544543.db2.gz NLKADLRLOPBTAK-UHFFFAOYSA-N 0 3 338.412 0.590 20 5 ECBDHN CC1(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)OCCO1 ZINC000760901295 579517051 /nfs/dbraw/zinc/51/70/51/579517051.db2.gz QNMNMPXIHFMDGL-CQSZACIVSA-N 0 3 340.380 0.627 20 5 ECBDHN C[C@@H]1CN(c2ccncc2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000895273998 586173409 /nfs/dbraw/zinc/17/34/09/586173409.db2.gz FEQFEFDYRGHNKL-GFCCVEGCSA-N 0 3 330.348 0.924 20 5 ECBDHN Cn1ncc([N+](=O)[O-])c1NCC1(N2CCOCC2)CCN(C)CC1 ZINC000894186046 586378462 /nfs/dbraw/zinc/37/84/62/586378462.db2.gz STXMAAMHRDPASV-UHFFFAOYSA-N 0 3 338.412 0.537 20 5 ECBDHN CN(CCO)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000899737821 586504862 /nfs/dbraw/zinc/50/48/62/586504862.db2.gz OSGYOSGOBDAIGF-UHFFFAOYSA-N 0 3 333.747 0.970 20 5 ECBDHN COc1cc([C@H](C)NC[C@]2(CO)COCCN2C)cc([N+](=O)[O-])c1 ZINC000903224384 586772717 /nfs/dbraw/zinc/77/27/17/586772717.db2.gz VJMUCMIFELDGAL-LRDDRELGSA-N 0 3 339.392 0.947 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000808174709 587147573 /nfs/dbraw/zinc/14/75/73/587147573.db2.gz OHKKAOZOUGAMIB-IINYFYTJSA-N 0 3 336.348 0.127 20 5 ECBDHN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112758 587248401 /nfs/dbraw/zinc/24/84/01/587248401.db2.gz KMRQZXJALDGDRM-GHMZBOCLSA-N 0 3 330.362 0.870 20 5 ECBDHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000817993600 587395567 /nfs/dbraw/zinc/39/55/67/587395567.db2.gz NGADRCUPRFPDBV-GFCCVEGCSA-N 0 3 349.391 0.049 20 5 ECBDHN Cc1ncc2c(n1)CCC[C@H]2NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819078320 587466929 /nfs/dbraw/zinc/46/69/29/587466929.db2.gz IVDXKAVMDUCIIC-GXTWGEPZSA-N 0 3 332.364 0.918 20 5 ECBDHN COC(=O)Cc1ccccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000848679529 589306485 /nfs/dbraw/zinc/30/64/85/589306485.db2.gz WKRUSWSEWQXEPS-OAHLLOKOSA-N 0 3 348.359 0.658 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000854466146 589587810 /nfs/dbraw/zinc/58/78/10/589587810.db2.gz XAFZTVFYRYWLMQ-VIFPVBQESA-N 0 3 333.747 0.969 20 5 ECBDHN CN1CCN(CC2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000854644093 589597969 /nfs/dbraw/zinc/59/79/69/589597969.db2.gz DYZNRTKWLPPVJO-INIZCTEOSA-N 0 3 348.403 0.334 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000855695921 589642144 /nfs/dbraw/zinc/64/21/44/589642144.db2.gz WWPVCNCHXGMNFA-UHFFFAOYSA-N 0 3 337.380 0.269 20 5 ECBDHN CNc1c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000861714159 589878372 /nfs/dbraw/zinc/87/83/72/589878372.db2.gz IOWANYUGDOTNRV-RYUDHWBXSA-N 0 3 334.376 0.918 20 5 ECBDHN CC(COC(=O)c1cc(I)nn1C)[N+](=O)[O-] ZINC000870377352 590014655 /nfs/dbraw/zinc/01/46/55/590014655.db2.gz QEPROZHUAYTWPE-RXMQYKEDSA-N 0 3 339.089 0.847 20 5 ECBDHN Cn1cnnc1CN1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589411 611356348 /nfs/dbraw/zinc/35/63/48/611356348.db2.gz XWUBQXOHRXKOLM-XJFOESAGSA-N 0 3 348.407 0.151 20 5 ECBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2CN(Cc3cnon3)C[C@H]2CC1 ZINC000946589392 611356443 /nfs/dbraw/zinc/35/64/43/611356443.db2.gz WWACRDAQSFJKHC-ZMJPVWNMSA-N 0 3 335.364 0.405 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)[C@@H](CO)C1 ZINC000931405177 611537094 /nfs/dbraw/zinc/53/70/94/611537094.db2.gz HCQMPSHEASKPOD-CQSZACIVSA-N 0 3 336.392 0.840 20 5 ECBDHN O=C(CCc1c[nH]cn1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941008151 610490306 /nfs/dbraw/zinc/49/03/06/610490306.db2.gz YGJBAJKZPMXKIK-CHWSQXEVSA-N 0 3 335.364 0.068 20 5 ECBDHN O=C(NC1CCN(CCn2cc(Cl)cn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789099 747789113 /nfs/dbraw/zinc/78/91/13/747789113.db2.gz SCOBPEMCKFZIQP-CHWSQXEVSA-N 0 3 341.799 0.782 20 5 ECBDHN Cc1cc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1C ZINC000985426543 747982053 /nfs/dbraw/zinc/98/20/53/747982053.db2.gz SDRRGRCTVSPPPN-HUUCEWRRSA-N 0 3 335.408 0.817 20 5 ECBDHN Cn1c(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nnc1C1CCC1 ZINC001022063441 758226022 /nfs/dbraw/zinc/22/60/22/758226022.db2.gz BNAIUQQNRXMWIE-YVECIDJPSA-N 0 3 348.407 0.485 20 5 ECBDHN NC(=O)CC(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048732722 761067183 /nfs/dbraw/zinc/06/71/83/761067183.db2.gz MCLWWBALLHFXID-BETUJISGSA-N 0 3 332.360 0.360 20 5 ECBDHN CCCn1c(C)nnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139140 772205318 /nfs/dbraw/zinc/20/53/18/772205318.db2.gz SJBABRDQQIOCLP-FDYHWXHSSA-N 0 3 336.396 0.399 20 5 ECBDHN O=C(N[C@H]1C[C@H](NCc2nc(-c3ccoc3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139099 772205651 /nfs/dbraw/zinc/20/56/51/772205651.db2.gz QMUZKCKHEXPARG-DDHJBXDOSA-N 0 3 347.331 0.732 20 5 ECBDHN CS(=O)(=O)c1cc(C(=O)N2CCCNCC2)cc([N+](=O)[O-])c1 ZINC000428465822 210262984 /nfs/dbraw/zinc/26/29/84/210262984.db2.gz UIIJTISHJOXOFR-UHFFFAOYSA-N 0 3 327.362 0.434 20 5 ECBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC000174710818 529961935 /nfs/dbraw/zinc/96/19/35/529961935.db2.gz HIZTWFJEBZLBDS-UONOGXRCSA-N 0 3 348.359 0.924 20 5 ECBDHN C[C@H]1CCN(C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000354948789 299169120 /nfs/dbraw/zinc/16/91/20/299169120.db2.gz JEDRTKLOVINVFF-LBPRGKRZSA-N 0 3 334.376 0.877 20 5 ECBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000193237821 240072347 /nfs/dbraw/zinc/07/23/47/240072347.db2.gz KGJBKCIIIPSJQJ-UHFFFAOYSA-N 0 3 342.421 0.395 20 5 ECBDHN COCCNCCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262658602 245104763 /nfs/dbraw/zinc/10/47/63/245104763.db2.gz MIEGLFAGTIENLV-LLVKDONJSA-N 0 3 338.364 0.065 20 5 ECBDHN C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N(C)Cc1ccccc1 ZINC000110350341 220030779 /nfs/dbraw/zinc/03/07/79/220030779.db2.gz SYZTUZOUIZLBRM-LBPRGKRZSA-N 0 3 332.364 0.823 20 5 ECBDHN CN(C)CCOc1cc(CNC(=O)c2cc([N+](=O)[O-])nn2C)ccn1 ZINC000356730741 299433999 /nfs/dbraw/zinc/43/39/99/299433999.db2.gz OAVTTYKAQSMWIS-UHFFFAOYSA-N 0 3 348.363 0.594 20 5 ECBDHN CN(CCN)C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418809164 208856108 /nfs/dbraw/zinc/85/61/08/208856108.db2.gz MRPZCFVEEQLKLY-UHFFFAOYSA-N 0 3 328.756 0.324 20 5 ECBDHN COC(=O)N1CC(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000496679946 255120710 /nfs/dbraw/zinc/12/07/10/255120710.db2.gz UQFIYJCXCUUQGX-LLVKDONJSA-N 0 3 325.321 0.375 20 5 ECBDHN CN(C)CCOc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])ccn1 ZINC000357937010 299655775 /nfs/dbraw/zinc/65/57/75/299655775.db2.gz RNCNPHHUTAOYBG-UHFFFAOYSA-N 0 3 334.336 0.916 20 5 ECBDHN COC[C@]1(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262357392 165336651 /nfs/dbraw/zinc/33/66/51/165336651.db2.gz VEPYFQDLURRYLP-CQSZACIVSA-N 0 3 343.405 0.783 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000269779359 263204131 /nfs/dbraw/zinc/20/41/31/263204131.db2.gz UECYKWPRBWVFGB-ZDUSSCGKSA-N 0 3 347.393 0.194 20 5 ECBDHN Cc1c(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)cccc1[N+](=O)[O-] ZINC000269908114 263212159 /nfs/dbraw/zinc/21/21/59/263212159.db2.gz NHZZISNOVJINNN-OAHLLOKOSA-N 0 3 338.364 0.271 20 5 ECBDHN COC(=O)c1cc(C(=O)NC[C@](C)(O)CN(C)C)cc([N+](=O)[O-])c1 ZINC000269920833 263212910 /nfs/dbraw/zinc/21/29/10/263212910.db2.gz PYAKCSFAIHSQCY-HNNXBMFYSA-N 0 3 339.348 0.424 20 5 ECBDHN CS[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000270521687 263248400 /nfs/dbraw/zinc/24/84/00/263248400.db2.gz SXVVFFSUXZCFPS-NWDGAFQWSA-N 0 3 327.410 0.685 20 5 ECBDHN COCCNCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000271074598 263296710 /nfs/dbraw/zinc/29/67/10/263296710.db2.gz GCYUNQSVMJYHMO-UHFFFAOYSA-N 0 3 338.364 0.067 20 5 ECBDHN C[NH+]1CCN(c2cc(CNC(=O)c3cc([N+](=O)[O-])n[n-]3)ccn2)CC1 ZINC000285000514 264268180 /nfs/dbraw/zinc/26/81/80/264268180.db2.gz FSAKPOPJUAMITE-UHFFFAOYSA-N 0 3 345.363 0.395 20 5 ECBDHN CO[C@@H](C)[C@@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268801256 274056725 /nfs/dbraw/zinc/05/67/25/274056725.db2.gz GGBVXPFMAHKNKO-MNOVXSKESA-N 0 3 331.394 0.886 20 5 ECBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCNC1=O ZINC000340225025 437611906 /nfs/dbraw/zinc/61/19/06/437611906.db2.gz HMCKSQSOBGKNDX-NSHDSACASA-N 0 3 334.332 0.713 20 5 ECBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000332349215 297033878 /nfs/dbraw/zinc/03/38/78/297033878.db2.gz XZXZDVVCOOSBPH-UHFFFAOYSA-N 0 3 346.387 0.975 20 5 ECBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000332389472 297037258 /nfs/dbraw/zinc/03/72/58/297037258.db2.gz CNRJPRVNDTWQNX-CYBMUJFWSA-N 0 3 334.376 0.843 20 5 ECBDHN CCN(C)CCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000345884391 298201497 /nfs/dbraw/zinc/20/14/97/298201497.db2.gz LPAVQQNLENTXPQ-UHFFFAOYSA-N 0 3 348.359 0.930 20 5 ECBDHN C[C@@H](CN(C)C)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000346257398 298244035 /nfs/dbraw/zinc/24/40/35/298244035.db2.gz JKWFNDXOMFNKDP-NSHDSACASA-N 0 3 337.380 0.460 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000362995489 300239823 /nfs/dbraw/zinc/23/98/23/300239823.db2.gz XYXMEUSCBNLSGP-QWHCGFSZSA-N 0 3 337.380 0.469 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363192841 300253328 /nfs/dbraw/zinc/25/33/28/300253328.db2.gz OVXBYAXEGNWDLK-OLZOCXBDSA-N 0 3 334.376 0.986 20 5 ECBDHN N[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1c1ccc(F)cc1 ZINC000364204244 300335072 /nfs/dbraw/zinc/33/50/72/300335072.db2.gz YZPFOBHCXFABQQ-OLZOCXBDSA-N 0 3 333.323 0.884 20 5 ECBDHN CC(C)CN1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000364207471 300335793 /nfs/dbraw/zinc/33/57/93/300335793.db2.gz BJMMVZJOTMTVPX-UHFFFAOYSA-N 0 3 336.392 0.947 20 5 ECBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000368385125 300663552 /nfs/dbraw/zinc/66/35/52/300663552.db2.gz LUTYIMCPNOZCMJ-QWRGUYRKSA-N 0 3 334.311 0.605 20 5 ECBDHN O=C1CCCN1[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075738402 436172616 /nfs/dbraw/zinc/17/26/16/436172616.db2.gz ZEEXBQRKNGLGSG-GXTWGEPZSA-N 0 3 337.380 0.239 20 5 ECBDHN CN1CCC(O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000530619707 302019040 /nfs/dbraw/zinc/01/90/40/302019040.db2.gz JGKFXLONJNGQEZ-UHFFFAOYSA-N 0 3 337.332 0.510 20 5 ECBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549184632 302337419 /nfs/dbraw/zinc/33/74/19/302337419.db2.gz NFQFWZBZEHKPHN-UHFFFAOYSA-N 0 3 341.368 0.663 20 5 ECBDHN COc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000552028077 302381444 /nfs/dbraw/zinc/38/14/44/302381444.db2.gz GRZCUTRZLRQMEG-INIZCTEOSA-N 0 3 335.360 0.790 20 5 ECBDHN Cc1cc(S(=O)(=O)NC[C@@H]2CNCCO2)c(C)cc1[N+](=O)[O-] ZINC000568782884 302499357 /nfs/dbraw/zinc/49/93/57/302499357.db2.gz GZTYTQWLHCQNIV-NSHDSACASA-N 0 3 329.378 0.478 20 5 ECBDHN C[C@](CN)(NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C1CC1 ZINC000237611357 436738845 /nfs/dbraw/zinc/73/88/45/436738845.db2.gz SXTWQJJTJOAJLY-CQSZACIVSA-N 0 3 341.389 0.856 20 5 ECBDHN C[NH+](C)CCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000293045464 436845630 /nfs/dbraw/zinc/84/56/30/436845630.db2.gz QGJLGGMLPMOLBP-UHFFFAOYSA-N 0 3 345.377 0.596 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCN(C)C ZINC000281518877 436977836 /nfs/dbraw/zinc/97/78/36/436977836.db2.gz SDYSUINBELCEFP-UHFFFAOYSA-N 0 3 338.364 0.952 20 5 ECBDHN COCCN(C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000263758076 436985361 /nfs/dbraw/zinc/98/53/61/436985361.db2.gz KWIKFOQQRFXXBX-UHFFFAOYSA-N 0 3 338.364 0.019 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCNC(C)(C)C1 ZINC000175417373 437105475 /nfs/dbraw/zinc/10/54/75/437105475.db2.gz QUYDDJMMSXMMKU-NSHDSACASA-N 0 3 334.376 0.924 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@](O)(C(N)=O)C1 ZINC000276450736 437106470 /nfs/dbraw/zinc/10/64/70/437106470.db2.gz MVZLDBUZONEVQG-HNNXBMFYSA-N 0 3 336.348 0.154 20 5 ECBDHN CN(C)[C@@]1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCSC1 ZINC000267120654 437291514 /nfs/dbraw/zinc/29/15/14/437291514.db2.gz TWDLZJGWSPGHTN-CYBMUJFWSA-N 0 3 325.394 0.938 20 5 ECBDHN CN(C)CCN(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000267861269 437334355 /nfs/dbraw/zinc/33/43/55/437334355.db2.gz HAGBYHFBXRALFH-UHFFFAOYSA-N 0 3 334.332 0.211 20 5 ECBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268170320 437378171 /nfs/dbraw/zinc/37/81/71/437378171.db2.gz JVWBJISDVPWBJZ-ABAIWWIYSA-N 0 3 346.387 0.924 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]C[C@@H](C)[NH+](CC)CC)c([N+](=O)[O-])n1 ZINC000359927492 437485973 /nfs/dbraw/zinc/48/59/73/437485973.db2.gz WAOJFOJRRPEYSH-SNVBAGLBSA-N 0 3 333.414 0.820 20 5 ECBDHN CN1CCC(CCO)(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000354142868 437542105 /nfs/dbraw/zinc/54/21/05/437542105.db2.gz KDOWRUDUBVAGJB-UHFFFAOYSA-N 0 3 336.392 0.970 20 5 ECBDHN CC1CCN(C[C@@H](O)CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000330658399 437581374 /nfs/dbraw/zinc/58/13/74/437581374.db2.gz OYCHEAIDFBTLRQ-NSHDSACASA-N 0 3 325.369 0.151 20 5 ECBDHN C[C@@H](CN)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415416641 437798688 /nfs/dbraw/zinc/79/86/88/437798688.db2.gz LBJMRDCUEKBCCI-ZETCQYMHSA-N 0 3 346.290 0.940 20 5 ECBDHN CCOC(=O)c1cc(C(=O)NC[C@@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC000423983679 437869208 /nfs/dbraw/zinc/86/92/08/437869208.db2.gz AQJYRMZHEFJYQU-ZDUSSCGKSA-N 0 3 337.332 0.490 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)CN2CCN(C)CC2)n1 ZINC000427830109 438085711 /nfs/dbraw/zinc/08/57/11/438085711.db2.gz GDIRBCLAOKJSLW-LBPRGKRZSA-N 0 3 338.412 0.425 20 5 ECBDHN O=C(C[C@@H]1CNCCO1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000430773176 438121314 /nfs/dbraw/zinc/12/13/14/438121314.db2.gz RBGCENJAYLGDOL-DGCLKSJQSA-N 0 3 335.364 0.381 20 5 ECBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[C@@H]1N1CCN(C)CC1 ZINC000374311694 438201433 /nfs/dbraw/zinc/20/14/33/438201433.db2.gz POSCYBFONBFITI-RYUDHWBXSA-N 0 3 335.412 0.429 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351492393 438270991 /nfs/dbraw/zinc/27/09/91/438270991.db2.gz JZHDDQQXCCFMRC-CQSZACIVSA-N 0 3 342.327 0.101 20 5 ECBDHN O=C1NC[C@@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]12 ZINC000377666981 438321785 /nfs/dbraw/zinc/32/17/85/438321785.db2.gz CREKLPJKWHBMRY-KYOSRNDESA-N 0 3 335.360 0.402 20 5 ECBDHN COc1ccc(OCCN2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000368639159 438359078 /nfs/dbraw/zinc/35/90/78/438359078.db2.gz SJXFVPUQESQMCF-VXGBXAGGSA-N 0 3 349.343 0.577 20 5 ECBDHN CSCC[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000390393164 438431416 /nfs/dbraw/zinc/43/14/16/438431416.db2.gz GWFYXXBDEMPCQZ-LBPRGKRZSA-N 0 3 339.421 0.719 20 5 ECBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(S(N)(=O)=O)c1 ZINC000359301308 438408102 /nfs/dbraw/zinc/40/81/02/438408102.db2.gz JSDWCXBAYGOPNR-JTQLQIEISA-N 0 3 339.377 0.790 20 5 ECBDHN Cc1ccc(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCCO2)c([N+](=O)[O-])c1 ZINC000420453035 438408984 /nfs/dbraw/zinc/40/89/84/438408984.db2.gz JTKCBHYWWOKOKS-LLVKDONJSA-N 0 3 329.378 0.560 20 5 ECBDHN O=C([C@@H]1CN2CCN1CCC2)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359645129 438473268 /nfs/dbraw/zinc/47/32/68/438473268.db2.gz ZQAQGUGEHUKABW-HNNXBMFYSA-N 0 3 346.387 0.706 20 5 ECBDHN COc1ccc(NC(=O)CCN(C)[C@H]2COC[C@H]2O)c([N+](=O)[O-])c1 ZINC000352791306 438476417 /nfs/dbraw/zinc/47/64/17/438476417.db2.gz HQZYLFYKNAEAST-UONOGXRCSA-N 0 3 339.348 0.624 20 5 ECBDHN CN1CCNC[C@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000394772546 438445581 /nfs/dbraw/zinc/44/55/81/438445581.db2.gz BYVDFKDDNXIAEU-JTQLQIEISA-N 0 3 328.394 0.314 20 5 ECBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCCN1CCO ZINC000452395689 438660971 /nfs/dbraw/zinc/66/09/71/438660971.db2.gz XAJKIKGFXUYEHT-LBPRGKRZSA-N 0 3 325.369 0.144 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCNC(C)=O ZINC000575744804 438752779 /nfs/dbraw/zinc/75/27/79/438752779.db2.gz DZUCGXOPLBUJEW-UHFFFAOYSA-N 0 3 338.364 1.000 20 5 ECBDHN CC(=O)Nc1ccccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577366195 438835043 /nfs/dbraw/zinc/83/50/43/438835043.db2.gz NQYRPFPEEJJDOW-CQSZACIVSA-N 0 3 333.348 0.900 20 5 ECBDHN CO[C@@]1(CO)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595658458 438840202 /nfs/dbraw/zinc/84/02/02/438840202.db2.gz JLJYJUDYDXGRAT-CJNGLKHVSA-N 0 3 340.376 0.808 20 5 ECBDHN C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)NCCN(C)C ZINC000588873932 438845538 /nfs/dbraw/zinc/84/55/38/438845538.db2.gz UAZMWJBJSHMVEQ-VIFPVBQESA-N 0 3 348.363 0.267 20 5 ECBDHN CNc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000577508592 438849272 /nfs/dbraw/zinc/84/92/72/438849272.db2.gz KEIBZPBEAVNJBS-GHMZBOCLSA-N 0 3 333.348 0.021 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccnc(-n3cccn3)c2)c1 ZINC000566106668 439007718 /nfs/dbraw/zinc/00/77/18/439007718.db2.gz WSXSHKUZQUCAGJ-AWEZNQCLSA-N 0 3 343.347 0.523 20 5 ECBDHN C[C@@H]1CCN(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000519576501 439043461 /nfs/dbraw/zinc/04/34/61/439043461.db2.gz UZAPZWBGAYIRSA-GFCCVEGCSA-N 0 3 334.376 0.783 20 5 ECBDHN Cc1ccc(S(=O)(=O)[N-]CCOCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000471646377 439088618 /nfs/dbraw/zinc/08/86/18/439088618.db2.gz LGKQVQOPXSZUDE-UHFFFAOYSA-N 0 3 331.394 0.760 20 5 ECBDHN C[C@H]1CS(=O)(=O)C[C@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566851689 439093768 /nfs/dbraw/zinc/09/37/68/439093768.db2.gz UNNQJAQQFJGQIN-CMPLNLGQSA-N 0 3 341.389 0.946 20 5 ECBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000591756692 439081093 /nfs/dbraw/zinc/08/10/93/439081093.db2.gz QBZGWZODDIEGAW-DUVNUKRYSA-N 0 3 339.392 0.643 20 5 ECBDHN CO[C@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000591760168 439082204 /nfs/dbraw/zinc/08/22/04/439082204.db2.gz UEAVVSLVLXCRFZ-AWEZNQCLSA-N 0 3 344.389 0.764 20 5 ECBDHN N[C@H]1C[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568783174 439278887 /nfs/dbraw/zinc/27/88/87/439278887.db2.gz OTCWTWQUCDCNAN-KGLIPLIRSA-N 0 3 347.375 0.167 20 5 ECBDHN COc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000568534261 439258019 /nfs/dbraw/zinc/25/80/19/439258019.db2.gz ZWFVOVWKYBRYMS-NWDGAFQWSA-N 0 3 348.359 0.296 20 5 ECBDHN CCCc1n[nH]c(C(=O)N(CCOC)CCN(C)C)c1[N+](=O)[O-] ZINC000592758784 439272689 /nfs/dbraw/zinc/27/26/89/439272689.db2.gz ORQGGNXJFQTZCI-UHFFFAOYSA-N 0 3 327.385 0.921 20 5 ECBDHN CCCc1[nH]nc(C(=O)N(CCOC)CCN(C)C)c1[N+](=O)[O-] ZINC000592758784 439272696 /nfs/dbraw/zinc/27/26/96/439272696.db2.gz ORQGGNXJFQTZCI-UHFFFAOYSA-N 0 3 327.385 0.921 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H]1CCCS1(=O)=O ZINC000569449673 439331641 /nfs/dbraw/zinc/33/16/41/439331641.db2.gz NQUTUFHAKVHFBK-NWDGAFQWSA-N 0 3 344.389 0.501 20 5 ECBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593235511 439355820 /nfs/dbraw/zinc/35/58/20/439355820.db2.gz VANIOHASXOWOFN-UHFFFAOYSA-N 0 3 335.364 0.144 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)n1 ZINC000599263815 439406343 /nfs/dbraw/zinc/40/63/43/439406343.db2.gz RTIUCWKJGGJTSC-QWRGUYRKSA-N 0 3 343.409 0.433 20 5 ECBDHN CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@@H](CN)C1CC1 ZINC000583024277 439411170 /nfs/dbraw/zinc/41/11/70/439411170.db2.gz SYLDCACXEKBGSC-ZDUSSCGKSA-N 0 3 341.389 0.808 20 5 ECBDHN CN(C)CCN1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1=O ZINC000593784342 439466528 /nfs/dbraw/zinc/46/65/28/439466528.db2.gz NRCZRWKWZCEBIZ-UHFFFAOYSA-N 0 3 349.391 0.239 20 5 ECBDHN COc1cc(CN2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000594025130 439508664 /nfs/dbraw/zinc/50/86/64/439508664.db2.gz AJKSDUYJZOJPLH-NWDGAFQWSA-N 0 3 325.340 0.993 20 5 ECBDHN Cn1nc2c(c1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000584049088 439543109 /nfs/dbraw/zinc/54/31/09/439543109.db2.gz YDPDQRYFKRRCAU-LBPRGKRZSA-N 0 3 334.380 0.554 20 5 ECBDHN Cc1cc(OCC(=O)N2CCN3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594386996 439552958 /nfs/dbraw/zinc/55/29/58/439552958.db2.gz QASBNCLYXSFZFN-QWHCGFSZSA-N 0 3 335.360 0.559 20 5 ECBDHN NC[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594450944 439562101 /nfs/dbraw/zinc/56/21/01/439562101.db2.gz WZMJEALZPILVOO-SNVBAGLBSA-N 0 3 348.281 0.721 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CCN2C1=O ZINC000594694431 439591605 /nfs/dbraw/zinc/59/16/05/439591605.db2.gz PZVOXKVQWIURQX-NXEZZACHSA-N 0 3 342.302 0.944 20 5 ECBDHN CN1CCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000600271911 439632284 /nfs/dbraw/zinc/63/22/84/439632284.db2.gz ITXYIGCAMFVUDI-SNVBAGLBSA-N 0 3 342.377 0.066 20 5 ECBDHN O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCCNCC1 ZINC000573322538 439639797 /nfs/dbraw/zinc/63/97/97/439639797.db2.gz JUISMGOBKOPBAI-UHFFFAOYSA-N 0 3 334.376 0.867 20 5 ECBDHN COc1ccc(CNC[C@@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000594974932 439644155 /nfs/dbraw/zinc/64/41/55/439644155.db2.gz OAKCRRZWYAXLKZ-HNNXBMFYSA-N 0 3 326.349 0.861 20 5 ECBDHN C[S@@](=O)C1(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000573597021 439655551 /nfs/dbraw/zinc/65/55/51/439655551.db2.gz PYRLSYVQZHLXRU-AMXDTQDGSA-N 0 3 328.390 0.835 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000600744506 439697648 /nfs/dbraw/zinc/69/76/48/439697648.db2.gz GOXYZPQOONBLHA-WDEREUQCSA-N 0 3 348.285 0.742 20 5 ECBDHN CS[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1N(C)C ZINC000330502992 320831381 /nfs/dbraw/zinc/83/13/81/320831381.db2.gz YIDAAJKAZGAFKR-NEPJUHHUSA-N 0 3 340.405 0.261 20 5 ECBDHN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCN1CCCC1 ZINC000344345319 321147401 /nfs/dbraw/zinc/14/74/01/321147401.db2.gz DJHVNNMBYODDSO-UHFFFAOYSA-N 0 3 346.343 0.403 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-][C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])n1 ZINC000349785803 321314939 /nfs/dbraw/zinc/31/49/39/321314939.db2.gz VDHVPIKRRZWUGF-SNVBAGLBSA-N 0 3 333.414 0.818 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-][C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])n1 ZINC000349785803 321314941 /nfs/dbraw/zinc/31/49/41/321314941.db2.gz VDHVPIKRRZWUGF-SNVBAGLBSA-N 0 3 333.414 0.818 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1COC[C@@H]1O ZINC000352801782 321373160 /nfs/dbraw/zinc/37/31/60/321373160.db2.gz KMNBAKNUZUYWCI-OLZOCXBDSA-N 0 3 339.348 0.624 20 5 ECBDHN CCN1CCN([C@H](C)CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000354424429 321476996 /nfs/dbraw/zinc/47/69/96/321476996.db2.gz QIVZNSPIMIMQMU-GFCCVEGCSA-N 0 3 335.408 0.933 20 5 ECBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCN1CCC2 ZINC000534275077 322073863 /nfs/dbraw/zinc/07/38/63/322073863.db2.gz SNQHFLQVMZBDFS-OAHLLOKOSA-N 0 3 334.376 0.480 20 5 ECBDHN O=C1C[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1c1ccccc1 ZINC000562987465 322291179 /nfs/dbraw/zinc/29/11/79/322291179.db2.gz RKCSMWZCTXSBQU-IUODEOHRSA-N 0 3 345.359 0.547 20 5 ECBDHN NC[C@@H]1c2ccccc2CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000563888279 322351491 /nfs/dbraw/zinc/35/14/91/322351491.db2.gz HYLINHZPCQERSL-OAHLLOKOSA-N 0 3 342.355 0.841 20 5 ECBDHN O=[N+]([O-])c1ccc(OCCNC[C@H](O)CN2CCOCC2)cc1 ZINC000564856754 322400639 /nfs/dbraw/zinc/40/06/39/322400639.db2.gz OCWFNXLJQAIHMT-AWEZNQCLSA-N 0 3 325.365 0.256 20 5 ECBDHN O=C1C[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000565887410 322484480 /nfs/dbraw/zinc/48/44/80/322484480.db2.gz OMFXJQHBHAVHRE-WCQYABFASA-N 0 3 335.360 0.687 20 5 ECBDHN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000570630600 322694017 /nfs/dbraw/zinc/69/40/17/322694017.db2.gz FRUVFMXULZWUGK-UHFFFAOYSA-N 0 3 345.363 0.694 20 5 ECBDHN CCOc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000571179038 322713170 /nfs/dbraw/zinc/71/31/70/322713170.db2.gz FWPUJBRVKDHODW-NEPJUHHUSA-N 0 3 348.359 0.378 20 5 ECBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CNCCO2)cc1OC ZINC000574392646 322778378 /nfs/dbraw/zinc/77/83/78/322778378.db2.gz DPYUOXNSLSFCEM-JTQLQIEISA-N 0 3 339.348 0.720 20 5 ECBDHN COCCN(CCN(C)C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000729431063 578295655 /nfs/dbraw/zinc/29/56/55/578295655.db2.gz FOUNYBWSTCEVNK-UHFFFAOYSA-N 0 3 349.391 0.981 20 5 ECBDHN COC(=O)COc1ccc(CNCC[S@](C)=O)cc1[N+](=O)[O-] ZINC000788962893 578846184 /nfs/dbraw/zinc/84/61/84/578846184.db2.gz KURSZKDAUPJWDL-QFIPXVFZSA-N 0 3 330.362 0.615 20 5 ECBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000779547273 579317271 /nfs/dbraw/zinc/31/72/71/579317271.db2.gz NZTJEXFIPIHJFB-AWEZNQCLSA-N 0 3 340.336 0.936 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000762720760 579547051 /nfs/dbraw/zinc/54/70/51/579547051.db2.gz ZNEPNLOWLUIRCT-ZDUSSCGKSA-N 0 3 329.303 0.869 20 5 ECBDHN COCCNCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841202177 588981911 /nfs/dbraw/zinc/98/19/11/588981911.db2.gz CAOOFBKXDFPSGG-UHFFFAOYSA-N 0 3 344.755 0.539 20 5 ECBDHN CNC(=O)COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813109180 587248406 /nfs/dbraw/zinc/24/84/06/587248406.db2.gz PBKSJMLNMWDXQG-SECBINFHSA-N 0 3 326.305 0.642 20 5 ECBDHN CC(C)S(=O)(=O)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819317189 587476629 /nfs/dbraw/zinc/47/66/29/587476629.db2.gz PJOBTFUIYGPMCL-LBPRGKRZSA-N 0 3 346.405 0.747 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCS(=O)(=O)C2CC2)c1 ZINC000819369610 587477464 /nfs/dbraw/zinc/47/74/64/587477464.db2.gz LUIZMQKXNTXCNR-LBPRGKRZSA-N 0 3 344.389 0.501 20 5 ECBDHN O=C(N[C@H](CO)CN1CCCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000840452503 587581425 /nfs/dbraw/zinc/58/14/25/587581425.db2.gz ICBGXZUCEMFARK-DZGCQCFKSA-N 0 3 337.376 0.591 20 5 ECBDHN COc1ccc(CN2C(C)C(=O)N(C)S2(=O)=O)cc1[N+](=O)[O-] ZINC000829559564 588329718 /nfs/dbraw/zinc/32/97/18/588329718.db2.gz HLRYHJQXUDYROM-MRVPVSSYSA-N 0 3 329.334 0.511 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1=O ZINC000844761473 589119881 /nfs/dbraw/zinc/11/98/81/589119881.db2.gz KHPZYZUBIVCYCP-UHFFFAOYSA-N 0 3 338.339 0.580 20 5 ECBDHN COC(=O)Cc1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000848765780 589309960 /nfs/dbraw/zinc/30/99/60/589309960.db2.gz GWCKOXFNOMYOGC-QWHCGFSZSA-N 0 3 335.360 0.566 20 5 ECBDHN COC(=O)N(C)CCN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000852569151 589500860 /nfs/dbraw/zinc/50/08/60/589500860.db2.gz GEAIQLSBOODZJC-LBPRGKRZSA-N 0 3 341.364 0.965 20 5 ECBDHN C[C@@H](NC[C@@]12COCCN1C(=O)COC2)c1ccc([N+](=O)[O-])cc1 ZINC000866556027 589750696 /nfs/dbraw/zinc/75/06/96/589750696.db2.gz PPTSFSPPUVJMTM-WBMJQRKESA-N 0 3 335.360 0.873 20 5 ECBDHN Cc1nccn1CC(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953928612 612456750 /nfs/dbraw/zinc/45/67/50/612456750.db2.gz GGSNBLGZEXSCCK-ZIAGYGMSSA-N 0 3 349.391 0.306 20 5 ECBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC000956370233 612860235 /nfs/dbraw/zinc/86/02/35/612860235.db2.gz FIOHVLWYIUDGJU-CHWSQXEVSA-N 0 3 349.391 0.505 20 5 ECBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1c[nH]c(=O)cn1 ZINC001020521214 751754664 /nfs/dbraw/zinc/75/46/64/751754664.db2.gz HTPSELRTEAONJS-HAQNSBGRSA-N 0 3 343.343 0.729 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2ccncn2)CC1 ZINC000997107926 743245383 /nfs/dbraw/zinc/24/53/83/743245383.db2.gz QMVONDMQTLARRI-UHFFFAOYSA-N 0 3 345.363 0.513 20 5 ECBDHN Cc1cc(C(=O)N[C@H]2C[C@H](CNCc3c([N+](=O)[O-])ncn3C)C2)[nH]n1 ZINC000983250564 754995397 /nfs/dbraw/zinc/99/53/97/754995397.db2.gz XFFGOBFCAIZQCF-XYPYZODXSA-N 0 3 347.379 0.658 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000983359766 755394840 /nfs/dbraw/zinc/39/48/40/755394840.db2.gz LCRFDHWXRQAJQM-UMSPYCQHSA-N 0 3 347.379 0.279 20 5 ECBDHN CC(C)c1nnc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000996429738 757659396 /nfs/dbraw/zinc/65/93/96/757659396.db2.gz VNNWJSRJMPDWQQ-VXGBXAGGSA-N 0 3 337.380 0.939 20 5 ECBDHN O=C(N[C@H]1C[C@@H](NCc2nc(-c3ccco3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063720 758226695 /nfs/dbraw/zinc/22/66/95/758226695.db2.gz IXNMNKKRXRRWMH-LMLFDSFASA-N 0 3 347.331 0.732 20 5 ECBDHN CCn1nncc1CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050517011 760411515 /nfs/dbraw/zinc/41/15/15/760411515.db2.gz MQGUGQLYWGPVHW-ZIAGYGMSSA-N 0 3 348.407 0.388 20 5 ECBDHN COc1ccccc1OCCN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031660488 766379083 /nfs/dbraw/zinc/37/90/83/766379083.db2.gz JBRQRMASEJKHGP-ZIAGYGMSSA-N 0 3 349.387 0.787 20 5 ECBDHN COc1cccc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1 ZINC001072721439 788647840 /nfs/dbraw/zinc/64/78/40/788647840.db2.gz RRQMQDMWUVBNPM-ZIAGYGMSSA-N 0 3 346.387 0.790 20 5 ECBDHN Cc1cncn1CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073014507 789275133 /nfs/dbraw/zinc/27/51/33/789275133.db2.gz QCKISNBJRZELHJ-CHWSQXEVSA-N 0 3 349.391 0.354 20 5 ECBDHN NC(=O)CC(=O)NC1(CNCc2ccccc2[N+](=O)[O-])CCCC1 ZINC001267834842 838629787 /nfs/dbraw/zinc/62/97/87/838629787.db2.gz NKOHRZSIGKKBGS-UHFFFAOYSA-N 0 3 334.376 0.989 20 5 ECBDHN CN1CCN(c2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cn2)CC1 ZINC000159510564 529777377 /nfs/dbraw/zinc/77/73/77/529777377.db2.gz JSBXKEBDROJSQB-UHFFFAOYSA-N 0 3 345.363 0.395 20 5 ECBDHN CN(CCN1CCOCC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181744432 529911514 /nfs/dbraw/zinc/91/15/14/529911514.db2.gz AIYLWDWIOUJAKA-CQSZACIVSA-N 0 3 339.392 0.599 20 5 ECBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCSC1 ZINC000180941634 234037341 /nfs/dbraw/zinc/03/73/41/234037341.db2.gz BVBWHYMFXQXCFB-JTQLQIEISA-N 0 3 331.419 0.968 20 5 ECBDHN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1CCO ZINC000187272586 236164543 /nfs/dbraw/zinc/16/45/43/236164543.db2.gz XKLUWTZOSHWFQO-SNVBAGLBSA-N 0 3 333.348 0.610 20 5 ECBDHN Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC000420485293 209375544 /nfs/dbraw/zinc/37/55/44/209375544.db2.gz ZOKHUIXKFSHXTM-LLVKDONJSA-N 0 3 329.378 0.478 20 5 ECBDHN N[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCOCC1 ZINC000261813678 283610997 /nfs/dbraw/zinc/61/09/97/283610997.db2.gz OYFNYSBVVFWODO-INIZCTEOSA-N 0 3 348.403 0.997 20 5 ECBDHN COCCNCCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000193364562 240133777 /nfs/dbraw/zinc/13/37/77/240133777.db2.gz HMTYRTKQRUVJCL-UHFFFAOYSA-N 0 3 331.394 0.726 20 5 ECBDHN COc1ccc(NC(=O)C(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000419795280 209206522 /nfs/dbraw/zinc/20/65/22/209206522.db2.gz JMZGPSDVBQEXJO-UHFFFAOYSA-N 0 3 336.348 0.752 20 5 ECBDHN CNC(=O)[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000111269663 220129700 /nfs/dbraw/zinc/12/97/00/220129700.db2.gz MGOXWVQYJYEIPI-OCCSQVGLSA-N 0 3 337.376 0.793 20 5 ECBDHN COC(=O)[C@H]1CC12CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000266563085 248361509 /nfs/dbraw/zinc/36/15/09/248361509.db2.gz YKUNVXIOAJKHDE-CHWSQXEVSA-N 0 3 338.364 0.427 20 5 ECBDHN CN1CC[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450800461 211344600 /nfs/dbraw/zinc/34/46/00/211344600.db2.gz YKGODVWWMIQDMY-RNCFNFMXSA-N 0 3 326.378 0.383 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450203806 211312147 /nfs/dbraw/zinc/31/21/47/211312147.db2.gz HYCDBMHGXFBJIK-MRXNPFEDSA-N 0 3 347.375 0.823 20 5 ECBDHN CC(C)NS(=O)(=O)NCCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449281833 211278835 /nfs/dbraw/zinc/27/88/35/211278835.db2.gz FJLFBYLDYILJEM-LBPRGKRZSA-N 0 3 344.437 0.948 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413214265 208296807 /nfs/dbraw/zinc/29/68/07/208296807.db2.gz ZRXDXMZVIAMAMF-CYBMUJFWSA-N 0 3 337.355 0.872 20 5 ECBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@H](CN)C2CC2)cc1[N+](=O)[O-] ZINC000419271392 209047622 /nfs/dbraw/zinc/04/76/22/209047622.db2.gz ONYLDJNMEFESFG-ZWNOBZJWSA-N 0 3 334.376 0.934 20 5 ECBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCCCNCc1cccnc1 ZINC000120826508 296646215 /nfs/dbraw/zinc/64/62/15/296646215.db2.gz WPXGVOXWTITPEL-UHFFFAOYSA-N 0 3 332.364 0.873 20 5 ECBDHN CNC(=O)[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000183661168 263157734 /nfs/dbraw/zinc/15/77/34/263157734.db2.gz CDGBGHQFMLXNGK-JSGCOSHPSA-N 0 3 325.365 0.695 20 5 ECBDHN Cc1c(NC(=O)CCN2CC[C@@H](NC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000270681029 263262613 /nfs/dbraw/zinc/26/26/13/263262613.db2.gz MORKGQMNNUKKNB-LLVKDONJSA-N 0 3 335.364 0.974 20 5 ECBDHN C[C@H](O)CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000276209912 263686049 /nfs/dbraw/zinc/68/60/49/263686049.db2.gz OYFUGYLNBVVHKT-SGMGOOAPSA-N 0 3 328.365 0.398 20 5 ECBDHN COc1ccc(NC(=O)CCN(C)[C@@H]2COC[C@H]2O)c([N+](=O)[O-])c1 ZINC000285473988 264316837 /nfs/dbraw/zinc/31/68/37/264316837.db2.gz HQZYLFYKNAEAST-ZIAGYGMSSA-N 0 3 339.348 0.624 20 5 ECBDHN C[C@@H](CO)[C@@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000295796149 265080579 /nfs/dbraw/zinc/08/05/79/265080579.db2.gz SBOVCNVSISRYHN-DTWKUNHWSA-N 0 3 325.321 0.869 20 5 ECBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@@H]1CN ZINC000423649509 273842317 /nfs/dbraw/zinc/84/23/17/273842317.db2.gz PLSRBVFOXNIKAM-CYBMUJFWSA-N 0 3 334.376 0.545 20 5 ECBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCN(C)C ZINC000488990138 276442064 /nfs/dbraw/zinc/44/20/64/276442064.db2.gz ZHZWWVAXGUFBPG-LLVKDONJSA-N 0 3 326.401 0.847 20 5 ECBDHN CCO[C@@H]1C[C@](CO)(NCCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000189998670 437614845 /nfs/dbraw/zinc/61/48/45/437614845.db2.gz QCKUHKCLOFWZGW-CZUORRHYSA-N 0 3 339.392 0.912 20 5 ECBDHN CN(C)[C@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCSC1 ZINC000359714653 299882617 /nfs/dbraw/zinc/88/26/17/299882617.db2.gz DHUPKOAYNUJUEL-ZDUSSCGKSA-N 0 3 327.410 0.735 20 5 ECBDHN COCCN(C)CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000338675401 297288276 /nfs/dbraw/zinc/28/82/76/297288276.db2.gz DNJAVPKPZHJFFP-UHFFFAOYSA-N 0 3 327.385 0.611 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)O1 ZINC000347428718 298449916 /nfs/dbraw/zinc/44/99/16/298449916.db2.gz MINIYLBZTWJCRR-VXGBXAGGSA-N 0 3 339.396 0.948 20 5 ECBDHN C[C@@H](CO)N1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000375503103 301181830 /nfs/dbraw/zinc/18/18/30/301181830.db2.gz ZCPGWLRHKVQLEK-LBPRGKRZSA-N 0 3 336.392 0.582 20 5 ECBDHN COC(=O)[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C1CC1 ZINC000375789948 301210019 /nfs/dbraw/zinc/21/00/19/301210019.db2.gz VJDJPVLVJHZSKS-KGLIPLIRSA-N 0 3 335.360 0.888 20 5 ECBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1(O)CCN(C)CC1 ZINC000080880633 436329719 /nfs/dbraw/zinc/32/97/19/436329719.db2.gz LUZCIYHGRPRMJU-UHFFFAOYSA-N 0 3 336.392 0.847 20 5 ECBDHN CC(=O)NC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000050991299 436479818 /nfs/dbraw/zinc/47/98/18/436479818.db2.gz QENYFLHMTCDWPQ-HNNXBMFYSA-N 0 3 337.376 0.935 20 5 ECBDHN COCCN1CCC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151287992 436700810 /nfs/dbraw/zinc/70/08/10/436700810.db2.gz AVEAWSHKGUWKRO-UHFFFAOYSA-N 0 3 340.384 0.201 20 5 ECBDHN COCCN1CCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000069499784 436776388 /nfs/dbraw/zinc/77/63/88/436776388.db2.gz WUXXBQDNRKYPGS-CYBMUJFWSA-N 0 3 339.396 0.717 20 5 ECBDHN NC(=O)[C@@H]1CCCN1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000131140603 436847794 /nfs/dbraw/zinc/84/77/94/436847794.db2.gz IEHSHEZTTRQRBL-AWEZNQCLSA-N 0 3 336.396 0.205 20 5 ECBDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000161482328 436892378 /nfs/dbraw/zinc/89/23/78/436892378.db2.gz NBSOLLPARHPZJQ-GFCCVEGCSA-N 0 3 335.357 0.325 20 5 ECBDHN COc1cc(C[NH2+]CCCNS(C)(=O)=O)c([N+](=O)[O-])cc1[O-] ZINC000263652038 436973469 /nfs/dbraw/zinc/97/34/69/436973469.db2.gz DOVABKHHMQIDEV-UHFFFAOYSA-N 0 3 333.366 0.338 20 5 ECBDHN CNS(=O)(=O)CCN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000275884061 437025386 /nfs/dbraw/zinc/02/53/86/437025386.db2.gz LAXADMTWYRUNQQ-SNVBAGLBSA-N 0 3 344.393 0.451 20 5 ECBDHN NC(=O)N[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000275595766 436988665 /nfs/dbraw/zinc/98/86/65/436988665.db2.gz JYAWISOTFUXBAP-SECBINFHSA-N 0 3 339.327 0.805 20 5 ECBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CCCN2CCOC)c1[N+](=O)[O-] ZINC000171808560 436989256 /nfs/dbraw/zinc/98/92/56/436989256.db2.gz VPHYLSNMBNIIPC-JTQLQIEISA-N 0 3 325.369 0.721 20 5 ECBDHN C[C@H](CO)N(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000276209904 437073395 /nfs/dbraw/zinc/07/33/95/437073395.db2.gz OYFUGYLNBVVHKT-MBNYWOFBSA-N 0 3 328.365 0.398 20 5 ECBDHN COCCN(C)C[C@@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000326760691 437235371 /nfs/dbraw/zinc/23/53/71/437235371.db2.gz NUFDMLVORDUAPC-CQSZACIVSA-N 0 3 335.364 0.792 20 5 ECBDHN COCCOCCN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289069224 437379533 /nfs/dbraw/zinc/37/95/33/437379533.db2.gz RXZQKJDOFHASRJ-AWEZNQCLSA-N 0 3 328.365 0.929 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)C[C@H](C)O ZINC000290014239 437456341 /nfs/dbraw/zinc/45/63/41/437456341.db2.gz ZZHNKSSWJGDFNZ-LBPRGKRZSA-N 0 3 325.365 0.907 20 5 ECBDHN Cc1[nH]nc(C(=O)Nc2ccc(N3CCNCC3)cn2)c1[N+](=O)[O-] ZINC000269160251 437462435 /nfs/dbraw/zinc/46/24/35/437462435.db2.gz LMLCKYDHJVBNJW-UHFFFAOYSA-N 0 3 331.336 0.683 20 5 ECBDHN COc1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1[N+](=O)[O-] ZINC000343217902 437538611 /nfs/dbraw/zinc/53/86/11/437538611.db2.gz AYIMXXPRIMTEFV-CQSZACIVSA-N 0 3 334.376 0.610 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082356 437768019 /nfs/dbraw/zinc/76/80/19/437768019.db2.gz TVIKBRDUFLANPY-NWDGAFQWSA-N 0 3 337.380 0.552 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082355 437769393 /nfs/dbraw/zinc/76/93/93/437769393.db2.gz TVIKBRDUFLANPY-NEPJUHHUSA-N 0 3 337.380 0.552 20 5 ECBDHN CCn1cc(S(=O)(=O)N(C)CC2CCN(C)CC2)c([N+](=O)[O-])n1 ZINC000331226407 437722657 /nfs/dbraw/zinc/72/26/57/437722657.db2.gz NLEUEVDIXZFEDO-UHFFFAOYSA-N 0 3 345.425 0.774 20 5 ECBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCCC[C@H]1CN ZINC000423621947 437783043 /nfs/dbraw/zinc/78/30/43/437783043.db2.gz LNSPNDHTMDGJBP-HNNXBMFYSA-N 0 3 348.403 0.936 20 5 ECBDHN CC(C)c1n[nH]c(C(=O)NCC2(O)CCN(C)CC2)c1[N+](=O)[O-] ZINC000434238434 438287600 /nfs/dbraw/zinc/28/76/00/438287600.db2.gz WJODRMDZLRGOJM-UHFFFAOYSA-N 0 3 325.369 0.628 20 5 ECBDHN COc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c([N+](=O)[O-])c1 ZINC000368319292 438314311 /nfs/dbraw/zinc/31/43/11/438314311.db2.gz WHNNSIUAXSEKBH-IUCAKERBSA-N 0 3 333.341 0.582 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000368859103 438393892 /nfs/dbraw/zinc/39/38/92/438393892.db2.gz FHBYLGPPEDOLSY-HIFRSBDPSA-N 0 3 335.360 0.953 20 5 ECBDHN CC(C)(O)CN1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000368723864 438374235 /nfs/dbraw/zinc/37/42/35/438374235.db2.gz GQPXTULUZXFZIR-UHFFFAOYSA-N 0 3 337.380 0.372 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCCO2)c([N+](=O)[O-])c1 ZINC000390094470 438429186 /nfs/dbraw/zinc/42/91/86/438429186.db2.gz FUQUCNIECRUPTR-NSHDSACASA-N 0 3 345.377 0.260 20 5 ECBDHN COc1ccc(OCCN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451633398 438702338 /nfs/dbraw/zinc/70/23/38/438702338.db2.gz MTECHBAIRQUIDE-PHIMTYICSA-N 0 3 335.316 0.187 20 5 ECBDHN C[C@@H]1CN(CCO)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000457140042 438797646 /nfs/dbraw/zinc/79/76/46/438797646.db2.gz XIVSEYHMYDAXLK-SNVBAGLBSA-N 0 3 333.348 0.610 20 5 ECBDHN CCN1CCN([C@@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)CC1 ZINC000587972522 438811451 /nfs/dbraw/zinc/81/14/51/438811451.db2.gz PXPVDVAUPQSRQX-CQSZACIVSA-N 0 3 349.435 0.886 20 5 ECBDHN COC1CCN(C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000558750091 438826466 /nfs/dbraw/zinc/82/64/66/438826466.db2.gz UMYXJDLREQFUPD-UHFFFAOYSA-N 0 3 325.369 0.937 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000588866223 438845631 /nfs/dbraw/zinc/84/56/31/438845631.db2.gz IJIILGVGPFBDMQ-VIFPVBQESA-N 0 3 334.332 0.501 20 5 ECBDHN CN1C[C@H]2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC000590011911 438897928 /nfs/dbraw/zinc/89/79/28/438897928.db2.gz MUZCOKDNWJRZIW-ZWNOBZJWSA-N 0 3 348.359 0.898 20 5 ECBDHN CC(C)NC(=O)[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595851212 438871119 /nfs/dbraw/zinc/87/11/19/438871119.db2.gz POUKIECFXJKBEJ-OCCSQVGLSA-N 0 3 339.396 0.389 20 5 ECBDHN N[C@@H]1C[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000565238831 438935937 /nfs/dbraw/zinc/93/59/37/438935937.db2.gz IHIQQXIABPKGTO-NWDGAFQWSA-N 0 3 347.375 0.167 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCNC[C@@H]2C(F)F)cc1 ZINC000580431979 439088603 /nfs/dbraw/zinc/08/86/03/439088603.db2.gz DLIWTNWWVCYLOM-GFCCVEGCSA-N 0 3 349.359 0.907 20 5 ECBDHN O=C(CN1CCNCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602458557 439090829 /nfs/dbraw/zinc/09/08/29/439090829.db2.gz OBJUOSIQGMNUFV-UHFFFAOYSA-N 0 3 348.403 0.870 20 5 ECBDHN C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000602485777 439098121 /nfs/dbraw/zinc/09/81/21/439098121.db2.gz ZKVKOHCKOBIWBB-DZGCQCFKSA-N 0 3 336.440 0.786 20 5 ECBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1 ZINC000520452238 439084005 /nfs/dbraw/zinc/08/40/05/439084005.db2.gz RCASYGRHUCMOKQ-SNVBAGLBSA-N 0 3 338.364 0.400 20 5 ECBDHN C[C@H]1CS(=O)(=O)C[C@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580710378 439120705 /nfs/dbraw/zinc/12/07/05/439120705.db2.gz VOMOXGUKAVPJQD-ZKYQVNSYSA-N 0 3 344.389 0.357 20 5 ECBDHN COc1cc(OCC(=O)N[C@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000597653802 439150492 /nfs/dbraw/zinc/15/04/92/439150492.db2.gz MQBFDXMESOYMNF-JTQLQIEISA-N 0 3 327.337 0.021 20 5 ECBDHN CNc1nccc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000597694548 439162472 /nfs/dbraw/zinc/16/24/72/439162472.db2.gz LDZFQYNIKIOZBX-OLZOCXBDSA-N 0 3 349.391 0.967 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@@H]1O ZINC000581141232 439176587 /nfs/dbraw/zinc/17/65/87/439176587.db2.gz SWPCODHKOJYLJL-RYUDHWBXSA-N 0 3 337.332 0.113 20 5 ECBDHN CN1CCC2(CC1)CN(C(=O)Nc1ccncc1[N+](=O)[O-])CCO2 ZINC000592246336 439189707 /nfs/dbraw/zinc/18/97/07/439189707.db2.gz JERHNDQXQHAFGR-UHFFFAOYSA-N 0 3 335.364 0.740 20 5 ECBDHN C[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592383513 439216078 /nfs/dbraw/zinc/21/60/78/439216078.db2.gz ZRADQFWVVIHNTP-ZCFIWIBFSA-N 0 3 338.183 0.983 20 5 ECBDHN C[C@@H]([NH3+])C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592383075 439216195 /nfs/dbraw/zinc/21/61/95/439216195.db2.gz DWFQUYWWVUXFKR-ZCFIWIBFSA-N 0 3 338.183 0.983 20 5 ECBDHN COCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCO[C@H]1C ZINC000489447163 439229022 /nfs/dbraw/zinc/22/90/22/439229022.db2.gz KBSGIBGMUKZFTG-FPMFFAJLSA-N 0 3 328.369 0.278 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000598186124 439237758 /nfs/dbraw/zinc/23/77/58/439237758.db2.gz MCQCMXCTUMXLQN-UHFFFAOYSA-N 0 3 336.392 0.616 20 5 ECBDHN COc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000568534263 439258591 /nfs/dbraw/zinc/25/85/91/439258591.db2.gz ZWFVOVWKYBRYMS-VXGBXAGGSA-N 0 3 348.359 0.296 20 5 ECBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569379442 439328045 /nfs/dbraw/zinc/32/80/45/439328045.db2.gz CRUNLXGZNLXEIM-UTUOFQBUSA-N 0 3 347.375 0.166 20 5 ECBDHN C[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000598665188 439299416 /nfs/dbraw/zinc/29/94/16/439299416.db2.gz LTEYJVVQEKSUTM-QWRGUYRKSA-N 0 3 335.364 0.925 20 5 ECBDHN CN(C)S(=O)(=O)c1ccc(N2CCN3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000599082232 439354038 /nfs/dbraw/zinc/35/40/38/439354038.db2.gz COVMYJMZPPDZDP-NSHDSACASA-N 0 3 340.405 0.739 20 5 ECBDHN CN(C)CCN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593234204 439354958 /nfs/dbraw/zinc/35/49/58/439354958.db2.gz GYXHLGLKSAYOET-UHFFFAOYSA-N 0 3 348.403 0.760 20 5 ECBDHN CC(C)(CO)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000570791137 439450572 /nfs/dbraw/zinc/45/05/72/439450572.db2.gz RNEAKDXTKDVITL-GJZGRUSLSA-N 0 3 349.391 0.897 20 5 ECBDHN CCNC(=O)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000572101140 439557321 /nfs/dbraw/zinc/55/73/21/439557321.db2.gz LEIIZYLXNXVKNI-OAHLLOKOSA-N 0 3 347.375 0.692 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CN)C(F)(F)F ZINC000594451641 439563085 /nfs/dbraw/zinc/56/30/85/439563085.db2.gz PXWZVJXKCLYCPY-OIBJUYFYSA-N 0 3 348.281 0.719 20 5 ECBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCN4C[C@H](O)C[C@H]4C3)n2)c1 ZINC000594041631 439512269 /nfs/dbraw/zinc/51/22/69/439512269.db2.gz CWPMGFMHRXKDGO-UONOGXRCSA-N 0 3 345.359 0.896 20 5 ECBDHN Cc1c(NC(=O)C(=O)N[C@@H](CN)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000594533500 439573603 /nfs/dbraw/zinc/57/36/03/439573603.db2.gz NWIYNXWXBWIBRX-VIFPVBQESA-N 0 3 334.254 0.848 20 5 ECBDHN CN(C)C/C=C\C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000492939663 439589998 /nfs/dbraw/zinc/58/99/98/439589998.db2.gz FARCAJBMIZDINV-YVMONPNESA-N 0 3 346.387 0.997 20 5 ECBDHN COc1cc(OCC(=O)N2CCN(C)C[C@@H]2CN)ccc1[N+](=O)[O-] ZINC000572760143 439608956 /nfs/dbraw/zinc/60/89/56/439608956.db2.gz IMUSURZIMLPKNB-NSHDSACASA-N 0 3 338.364 0.084 20 5 ECBDHN COC(=O)C[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368535 439611908 /nfs/dbraw/zinc/61/19/08/439611908.db2.gz JAHBEBDNEHQXRA-WCQYABFASA-N 0 3 326.353 0.570 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572856914 439613960 /nfs/dbraw/zinc/61/39/60/439613960.db2.gz HTJDQUNAGSIXFO-VXGBXAGGSA-N 0 3 347.375 0.987 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000611834619 439732477 /nfs/dbraw/zinc/73/24/77/439732477.db2.gz ZCJWSKMYTKXDOP-CYBMUJFWSA-N 0 3 334.376 0.843 20 5 ECBDHN N[C@H](CC(F)F)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345834545 321202524 /nfs/dbraw/zinc/20/25/24/321202524.db2.gz ZRUQPRSTRRWJRP-PSASIEDQSA-N 0 3 329.307 0.985 20 5 ECBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN(C)CC ZINC000346140450 321215484 /nfs/dbraw/zinc/21/54/84/321215484.db2.gz XWZYZDMXZWHJAO-LLVKDONJSA-N 0 3 326.401 0.895 20 5 ECBDHN CN(C)C[C@@H](O)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353499839 321395754 /nfs/dbraw/zinc/39/57/54/321395754.db2.gz DOGLEGLURRNEPB-LSDHHAIUSA-N 0 3 333.392 0.930 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOC3(CCOCC3)CC2)c1 ZINC000545276767 322108484 /nfs/dbraw/zinc/10/84/84/322108484.db2.gz GCTRAISAXXYRNX-CQSZACIVSA-N 0 3 340.380 0.424 20 5 ECBDHN NC[C@H]1c2ccccc2CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000563888276 322351172 /nfs/dbraw/zinc/35/11/72/322351172.db2.gz HYLINHZPCQERSL-HNNXBMFYSA-N 0 3 342.355 0.841 20 5 ECBDHN COC(=O)c1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000566491243 322537608 /nfs/dbraw/zinc/53/76/08/322537608.db2.gz SVKBNMSFDFKGIC-AAEUAGOBSA-N 0 3 348.359 0.438 20 5 ECBDHN Cc1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000569710156 322662577 /nfs/dbraw/zinc/66/25/77/322662577.db2.gz OOYSFTSGKQEJKW-RYUDHWBXSA-N 0 3 333.348 0.679 20 5 ECBDHN CCC(=O)N1CC[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000572393698 322744080 /nfs/dbraw/zinc/74/40/80/322744080.db2.gz ULXIGTOBGBAGGV-STQMWFEESA-N 0 3 337.376 0.935 20 5 ECBDHN CC(=O)NCCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000574309420 322777022 /nfs/dbraw/zinc/77/70/22/322777022.db2.gz ALTPSMMVSXZXTF-UHFFFAOYSA-N 0 3 329.378 0.484 20 5 ECBDHN C[C@H]1CCCN1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000773198732 579222543 /nfs/dbraw/zinc/22/25/43/579222543.db2.gz OUTCCBKPGSMQAO-LBPRGKRZSA-N 0 3 334.376 0.925 20 5 ECBDHN COc1cccc([C@H](O)CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000843069650 589049245 /nfs/dbraw/zinc/04/92/45/589049245.db2.gz UDIYZAOSBXDPCF-DZGCQCFKSA-N 0 3 336.348 0.484 20 5 ECBDHN Cc1nc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1[C@@H](C)O ZINC000843104752 589050574 /nfs/dbraw/zinc/05/05/74/589050574.db2.gz BCGKQDLLTUMJDP-RISCZKNCSA-N 0 3 335.364 0.699 20 5 ECBDHN COC(=O)[C@H]1CN(C)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839630839 586884585 /nfs/dbraw/zinc/88/45/85/586884585.db2.gz POOFWDJFLYKQKO-ZFWWWQNUSA-N 0 3 337.376 0.665 20 5 ECBDHN CC(COC(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O)[N+](=O)[O-] ZINC000813115653 587248787 /nfs/dbraw/zinc/24/87/87/587248787.db2.gz XCZLQGBLLFVNPZ-DDIVZENXSA-N 0 3 341.364 0.942 20 5 ECBDHN CCS(=O)(=O)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819010628 587464476 /nfs/dbraw/zinc/46/44/76/587464476.db2.gz IJBMXGYHCNRPCU-LLVKDONJSA-N 0 3 332.378 0.359 20 5 ECBDHN CC(C)S(=O)(=O)CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819316258 587476251 /nfs/dbraw/zinc/47/62/51/587476251.db2.gz DNGUJJAVXHQCJT-CYBMUJFWSA-N 0 3 346.405 0.747 20 5 ECBDHN CCN1CC[C@H]2OCCN(C(=O)Cn3c(C)ncc3[N+](=O)[O-])[C@H]2C1 ZINC000820592820 587543274 /nfs/dbraw/zinc/54/32/74/587543274.db2.gz UOTNPIAYOLNXNQ-QWHCGFSZSA-N 0 3 337.380 0.421 20 5 ECBDHN CN(C)CCN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1=O ZINC000845632239 589165776 /nfs/dbraw/zinc/16/57/76/589165776.db2.gz XZVCXCYXABKTJW-UHFFFAOYSA-N 0 3 332.364 0.453 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000846358101 589198198 /nfs/dbraw/zinc/19/81/98/589198198.db2.gz VNEGYAWXEPFOFW-UHFFFAOYSA-N 0 3 335.364 0.023 20 5 ECBDHN CN(CC1CN(C)C1)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000853552616 589547910 /nfs/dbraw/zinc/54/79/10/589547910.db2.gz CGBMZRGDKPJXAC-UHFFFAOYSA-N 0 3 333.348 0.862 20 5 ECBDHN Cn1nccc1[C@@H](O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000856799954 589676206 /nfs/dbraw/zinc/67/62/06/589676206.db2.gz MOHIBWXCOWDLPN-HNNXBMFYSA-N 0 3 334.380 0.970 20 5 ECBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000861347679 589841441 /nfs/dbraw/zinc/84/14/41/589841441.db2.gz QQAPPWNCCAXLSE-JSGCOSHPSA-N 0 3 326.353 0.834 20 5 ECBDHN COCCN1[C@H](C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000128844863 590439946 /nfs/dbraw/zinc/43/99/46/590439946.db2.gz NVMQHQPYRROVNZ-GUTXKFCHSA-N 0 3 341.412 0.193 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCN(CCCCCO)CC1 ZINC000931497458 611546395 /nfs/dbraw/zinc/54/63/95/611546395.db2.gz RYHGELRDPYGGPU-UHFFFAOYSA-N 0 3 338.408 0.537 20 5 ECBDHN COC[C@H](C)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000916571129 609942438 /nfs/dbraw/zinc/94/24/38/609942438.db2.gz XXZXUOFNCBJQQY-ZDUSSCGKSA-N 0 3 336.392 0.868 20 5 ECBDHN COc1cc(C(=O)N(C)CCN(C)CCO)c([N+](=O)[O-])cc1F ZINC000912598908 609974412 /nfs/dbraw/zinc/97/44/12/609974412.db2.gz JLJAWTZLEQQADF-UHFFFAOYSA-N 0 3 329.328 0.739 20 5 ECBDHN Cc1cc(C(=O)N2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]n1 ZINC000956367990 612859061 /nfs/dbraw/zinc/85/90/61/612859061.db2.gz CQFBUWQWFOEKCI-ZYHUDNBSSA-N 0 3 335.364 0.494 20 5 ECBDHN Cc1cc(C(=O)N2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n[nH]1 ZINC000956367990 612859063 /nfs/dbraw/zinc/85/90/63/612859063.db2.gz CQFBUWQWFOEKCI-ZYHUDNBSSA-N 0 3 335.364 0.494 20 5 ECBDHN O=C(N[C@H]1C[C@H](CNCc2nc(CC3CC3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983657766 745010249 /nfs/dbraw/zinc/01/02/49/745010249.db2.gz MMLJTHCUKQZPAV-FDYHWXHSSA-N 0 3 349.391 0.672 20 5 ECBDHN Cc1cnc(CN2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001001400568 746342443 /nfs/dbraw/zinc/34/24/43/746342443.db2.gz UYQDUTGQDOXYKM-HUUCEWRRSA-N 0 3 333.392 0.778 20 5 ECBDHN CCN(CC)CC(=O)N(C)CCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001105407686 747186421 /nfs/dbraw/zinc/18/64/21/747186421.db2.gz HFTJUHDJGUUUAQ-UHFFFAOYSA-N 0 3 339.400 0.203 20 5 ECBDHN CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)C1 ZINC001022008056 758156981 /nfs/dbraw/zinc/15/69/81/758156981.db2.gz JCQHPGIAIBIESM-GASCZTMLSA-N 0 3 346.387 0.810 20 5 ECBDHN CN(C)c1cnc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cn1 ZINC001127279708 767572415 /nfs/dbraw/zinc/57/24/15/767572415.db2.gz QBNWQFLMJCXSQU-UHFFFAOYSA-N 0 3 344.375 0.970 20 5 ECBDHN Cc1cc(C(=O)N2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n[nH]1 ZINC001019013053 770568619 /nfs/dbraw/zinc/56/86/19/770568619.db2.gz WZZPXOQPMIBAAT-ZYHUDNBSSA-N 0 3 333.348 0.058 20 5 ECBDHN O=C(Cn1cnnn1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001019975925 772049123 /nfs/dbraw/zinc/04/91/23/772049123.db2.gz OOEUPMSIRFIIRL-HAQNSBGRSA-N 0 3 331.336 0.018 20 5 ECBDHN CN(C)CC(C)(C)NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000411097777 208061819 /nfs/dbraw/zinc/06/18/19/208061819.db2.gz KHLNROSGWXKIJC-UHFFFAOYSA-N 0 3 336.348 0.959 20 5 ECBDHN COC(=O)[C@@]1(C)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412073426 208197801 /nfs/dbraw/zinc/19/78/01/208197801.db2.gz QEUAKQCIIDBPIG-JSGCOSHPSA-N 0 3 326.353 0.427 20 5 ECBDHN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1n1ccnc1 ZINC000269692041 263197393 /nfs/dbraw/zinc/19/73/93/263197393.db2.gz ILKISNMCIPXVRX-BPLDGKMQSA-N 0 3 334.380 0.932 20 5 ECBDHN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1n1ccnc1 ZINC000269692048 263197503 /nfs/dbraw/zinc/19/75/03/263197503.db2.gz ILKISNMCIPXVRX-VHDGCEQUSA-N 0 3 334.380 0.932 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@](C)(O)CN(C)C ZINC000269944215 263213978 /nfs/dbraw/zinc/21/39/78/263213978.db2.gz WQPQAAZKUYPXKA-HNNXBMFYSA-N 0 3 340.380 0.715 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1CCOc1ccccc1[N+](=O)[O-] ZINC000282946179 264071498 /nfs/dbraw/zinc/07/14/98/264071498.db2.gz HPWPETISHOUHTG-VIFPVBQESA-N 0 3 329.334 0.381 20 5 ECBDHN COC(=O)Cc1ccc(N2CCCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000296923894 265125663 /nfs/dbraw/zinc/12/56/63/265125663.db2.gz AVZKAJZCRSEQMA-UHFFFAOYSA-N 0 3 337.376 0.815 20 5 ECBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C[C@H]21 ZINC000375036154 277147211 /nfs/dbraw/zinc/14/72/11/277147211.db2.gz FTZDWPYQQIZRSJ-ZWNOBZJWSA-N 0 3 340.405 0.773 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339763216 297381023 /nfs/dbraw/zinc/38/10/23/297381023.db2.gz ZFXXAJSSTWOHCN-HZPDHXFCSA-N 0 3 337.376 0.666 20 5 ECBDHN CN(C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCSC1 ZINC000351111525 298751054 /nfs/dbraw/zinc/75/10/54/298751054.db2.gz FGJMEHRXKNKVNX-CYBMUJFWSA-N 0 3 325.394 0.739 20 5 ECBDHN Cc1noc([C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000075645985 436169705 /nfs/dbraw/zinc/16/97/05/436169705.db2.gz HCMKVJWISWZVMN-YPMHNXCESA-N 0 3 336.352 0.723 20 5 ECBDHN C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000493086199 301520036 /nfs/dbraw/zinc/52/00/36/301520036.db2.gz DQQBFULINYNJKH-OJIASSBASA-N 0 3 334.376 0.791 20 5 ECBDHN COC1CCN(CCNC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000079671267 436303801 /nfs/dbraw/zinc/30/38/01/436303801.db2.gz FKYPNZPNRPWYDS-UHFFFAOYSA-N 0 3 339.396 0.717 20 5 ECBDHN CN1CCN(CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000049278078 436467499 /nfs/dbraw/zinc/46/74/99/436467499.db2.gz ZLZPTFPSTKTECG-UHFFFAOYSA-N 0 3 349.391 0.287 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)CCN(C)C ZINC000103212523 436553219 /nfs/dbraw/zinc/55/32/19/436553219.db2.gz WDFQFKKBXWVDPP-UHFFFAOYSA-N 0 3 326.401 0.052 20 5 ECBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000112918219 436634496 /nfs/dbraw/zinc/63/44/96/436634496.db2.gz GQUPZAZBVJEOET-UHFFFAOYSA-N 0 3 336.392 0.971 20 5 ECBDHN CN1CCN(CCCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000061524126 436637238 /nfs/dbraw/zinc/63/72/38/436637238.db2.gz VLAYGDNJGUUKPQ-UHFFFAOYSA-N 0 3 336.392 0.727 20 5 ECBDHN CCN1CCN(CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000063803176 436646700 /nfs/dbraw/zinc/64/67/00/436646700.db2.gz YGQIWVYHVPYQGD-UHFFFAOYSA-N 0 3 338.412 0.325 20 5 ECBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000549219782 302337651 /nfs/dbraw/zinc/33/76/51/302337651.db2.gz UUBATHPYCMIOQF-LBPRGKRZSA-N 0 3 336.396 0.558 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1O ZINC000552439158 302392988 /nfs/dbraw/zinc/39/29/88/302392988.db2.gz BDYRFSNHVBIXLO-GJZGRUSLSA-N 0 3 345.359 0.527 20 5 ECBDHN CS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CN)cc([N+](=O)[O-])c1 ZINC000237422793 436733691 /nfs/dbraw/zinc/73/36/91/436733691.db2.gz UJMCYZMJLUNWEH-LLVKDONJSA-N 0 3 341.389 0.952 20 5 ECBDHN CN1CC[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272491545 436717693 /nfs/dbraw/zinc/71/76/93/436717693.db2.gz TYSMSOFEDYEQGB-IUODEOHRSA-N 0 3 346.387 0.877 20 5 ECBDHN CCN(CCO)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000274613552 436851832 /nfs/dbraw/zinc/85/18/32/436851832.db2.gz DBNCGHITLWAHHC-UHFFFAOYSA-N 0 3 340.380 0.717 20 5 ECBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@](C)(O)CN(C)C ZINC000161509970 436891333 /nfs/dbraw/zinc/89/13/33/436891333.db2.gz WQIZDZNBBUJRRQ-AWEZNQCLSA-N 0 3 345.421 0.803 20 5 ECBDHN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CN(C)CCO1 ZINC000134968710 436908048 /nfs/dbraw/zinc/90/80/48/436908048.db2.gz CETBJFGVSUVUCX-ZANVPECISA-N 0 3 333.348 0.920 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000162606130 436910931 /nfs/dbraw/zinc/91/09/31/436910931.db2.gz SNURYBWVCPSVGF-OCCSQVGLSA-N 0 3 335.368 0.156 20 5 ECBDHN CN1CCC(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000263695756 436977756 /nfs/dbraw/zinc/97/77/56/436977756.db2.gz HJRVSADZOFLTBH-UHFFFAOYSA-N 0 3 341.389 0.822 20 5 ECBDHN COCCCN1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000263803988 436989229 /nfs/dbraw/zinc/98/92/29/436989229.db2.gz UNIBCWKKMQBFEY-UHFFFAOYSA-N 0 3 325.369 0.408 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H](N2CCCCC2)C1 ZINC000264611673 437052826 /nfs/dbraw/zinc/05/28/26/437052826.db2.gz ZMJQVXBDADEFFA-ZDUSSCGKSA-N 0 3 334.376 0.843 20 5 ECBDHN C[C@H](CO)N(C[C@H](C)O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276149001 437063794 /nfs/dbraw/zinc/06/37/94/437063794.db2.gz DNLCHJADQBPDPL-AGIUHOORSA-N 0 3 328.365 0.398 20 5 ECBDHN Cn1ccnc1CC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174784529 437086480 /nfs/dbraw/zinc/08/64/80/437086480.db2.gz FMMJKNDHKBVDDM-OAHLLOKOSA-N 0 3 348.407 0.840 20 5 ECBDHN C[C@H]1CN(CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000277435846 437219166 /nfs/dbraw/zinc/21/91/66/437219166.db2.gz GQVVHJHJHWLQRA-ZDUSSCGKSA-N 0 3 339.396 0.799 20 5 ECBDHN N[C@H](CC(F)F)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000323936369 437225499 /nfs/dbraw/zinc/22/54/99/437225499.db2.gz RUXFQEAAWCDNQV-SNVBAGLBSA-N 0 3 329.307 0.621 20 5 ECBDHN CC(C)(C)[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000182156198 437339364 /nfs/dbraw/zinc/33/93/64/437339364.db2.gz INAOHBAFDZRONT-MFKMUULPSA-N 0 3 325.365 0.824 20 5 ECBDHN O=C1NC(=O)[C@@]2(CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279129813 437377962 /nfs/dbraw/zinc/37/79/62/437377962.db2.gz VWKKOFMTDLVTHK-HNNXBMFYSA-N 0 3 334.332 0.648 20 5 ECBDHN COCCOCCN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289071736 437379011 /nfs/dbraw/zinc/37/90/11/437379011.db2.gz SDFMGHIUZALJKA-ZDUSSCGKSA-N 0 3 328.365 0.929 20 5 ECBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000183626276 437388815 /nfs/dbraw/zinc/38/88/15/437388815.db2.gz UTUYWMCPXKYZNU-NSHDSACASA-N 0 3 336.396 0.328 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]CC2([NH+](C)C)CCCC2)c([N+](=O)[O-])n1 ZINC000330445184 437513749 /nfs/dbraw/zinc/51/37/49/437513749.db2.gz DCDZZESPGDASRP-UHFFFAOYSA-N 0 3 345.425 0.964 20 5 ECBDHN CN(C)CCN1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000363000812 437765121 /nfs/dbraw/zinc/76/51/21/437765121.db2.gz PZDURJQUSJCXAH-UHFFFAOYSA-N 0 3 335.408 0.767 20 5 ECBDHN COC(=O)c1cnc(N2CC[C@H](OCCN(C)C)C2)c([N+](=O)[O-])c1 ZINC000357695140 438045960 /nfs/dbraw/zinc/04/59/60/438045960.db2.gz IPTGFUIXKGBZER-LBPRGKRZSA-N 0 3 338.364 0.933 20 5 ECBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000348001913 437996413 /nfs/dbraw/zinc/99/64/13/437996413.db2.gz DSWHNWXIFBARPS-RYUDHWBXSA-N 0 3 337.380 0.654 20 5 ECBDHN Nc1nc(NCC(=O)NCCN2CCCCCC2)ncc1[N+](=O)[O-] ZINC000431486447 438160190 /nfs/dbraw/zinc/16/01/90/438160190.db2.gz VHZQQKQTXGKVNK-UHFFFAOYSA-N 0 3 337.384 0.371 20 5 ECBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000374829933 438232259 /nfs/dbraw/zinc/23/22/59/438232259.db2.gz PVELPOWZSUUFBO-UWVGGRQHSA-N 0 3 338.339 0.909 20 5 ECBDHN O=C1NC[C@@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000368073464 438283723 /nfs/dbraw/zinc/28/37/23/438283723.db2.gz ZYAWYDNVDXHFGH-UPJWGTAASA-N 0 3 335.360 0.402 20 5 ECBDHN CC(C)C[C@H](CN)NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419046072 438302227 /nfs/dbraw/zinc/30/22/27/438302227.db2.gz XKDWUUNTBHGDSQ-CYBMUJFWSA-N 0 3 336.392 0.743 20 5 ECBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@H](O)C[C@@H]1CO ZINC000352022997 438371277 /nfs/dbraw/zinc/37/12/77/438371277.db2.gz STFKPOYODNKEKV-VXGBXAGGSA-N 0 3 337.332 0.320 20 5 ECBDHN C[C@@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420435382 438406813 /nfs/dbraw/zinc/40/68/13/438406813.db2.gz GPPUFKGMBUZGBQ-SFYZADRCSA-N 0 3 331.350 0.380 20 5 ECBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]CC[C@H]1CCOC1 ZINC000438191495 438469799 /nfs/dbraw/zinc/46/97/99/438469799.db2.gz QTYDKONIRTXHEA-LBPRGKRZSA-N 0 3 343.405 0.889 20 5 ECBDHN CN1CCNC[C@@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000394772551 438446135 /nfs/dbraw/zinc/44/61/35/438446135.db2.gz BYVDFKDDNXIAEU-SNVBAGLBSA-N 0 3 328.394 0.314 20 5 ECBDHN CCN1CCN([C@H](C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000353867333 438546834 /nfs/dbraw/zinc/54/68/34/438546834.db2.gz DMIFATAWDHXPHG-CYBMUJFWSA-N 0 3 338.412 0.324 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](CO)Cc1cccnc1 ZINC000575312468 438744709 /nfs/dbraw/zinc/74/47/09/438744709.db2.gz SONSCNTXGMPEQV-HUUCEWRRSA-N 0 3 347.371 0.923 20 5 ECBDHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595664302 438842754 /nfs/dbraw/zinc/84/27/54/438842754.db2.gz OXKRNVITWSIMII-UHIISALHSA-N 0 3 340.332 0.255 20 5 ECBDHN CCCc1[nH]nc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861922 438847230 /nfs/dbraw/zinc/84/72/30/438847230.db2.gz YNWXNFAVEHXEEL-MNOVXSKESA-N 0 3 337.380 0.552 20 5 ECBDHN CCCc1n[nH]c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861922 438847232 /nfs/dbraw/zinc/84/72/32/438847232.db2.gz YNWXNFAVEHXEEL-MNOVXSKESA-N 0 3 337.380 0.552 20 5 ECBDHN O=C1CCCN1C[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595833128 438867674 /nfs/dbraw/zinc/86/76/74/438867674.db2.gz RZQGDUWHLVFGTI-JSGCOSHPSA-N 0 3 337.380 0.097 20 5 ECBDHN CN(C)[C@@]1(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCSC1 ZINC000565184598 438924293 /nfs/dbraw/zinc/92/42/93/438924293.db2.gz BBENCIKKKJEEKN-CYBMUJFWSA-N 0 3 325.394 0.739 20 5 ECBDHN CCN1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596120585 438928099 /nfs/dbraw/zinc/92/80/99/438928099.db2.gz VPWHCXPZEVHMKK-UHFFFAOYSA-N 0 3 328.394 0.774 20 5 ECBDHN CCN1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)CC1 ZINC000596122130 438928585 /nfs/dbraw/zinc/92/85/85/438928585.db2.gz JMOSCLCVRQZVNL-CQSZACIVSA-N 0 3 347.419 0.910 20 5 ECBDHN CN1CC[C@H]2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590582787 438934627 /nfs/dbraw/zinc/93/46/27/438934627.db2.gz UQYKOEONBZNNIH-GXFFZTMASA-N 0 3 340.405 0.773 20 5 ECBDHN Cc1nn(C)c(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000590565676 438934768 /nfs/dbraw/zinc/93/47/68/438934768.db2.gz PJNJJYAVWKFSKP-NEPJUHHUSA-N 0 3 337.380 0.572 20 5 ECBDHN CCN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@H]2C1 ZINC000596246800 438946122 /nfs/dbraw/zinc/94/61/22/438946122.db2.gz ZLOCUNJAXZLDOO-LSDHHAIUSA-N 0 3 334.376 0.993 20 5 ECBDHN CN1CC[C@@H]2CN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC000590776515 438958150 /nfs/dbraw/zinc/95/81/50/438958150.db2.gz GQDDDOWTLSRFPV-ABAIWWIYSA-N 0 3 342.359 0.952 20 5 ECBDHN Nc1nc(NCc2ccc(CN3CC[C@H](O)C3)cc2)ncc1[N+](=O)[O-] ZINC000596422159 438960722 /nfs/dbraw/zinc/96/07/22/438960722.db2.gz BLSVRDKXPLETJK-ZDUSSCGKSA-N 0 3 344.375 0.568 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCNC[C@H]2C(F)F)cc1 ZINC000580431980 439089672 /nfs/dbraw/zinc/08/96/72/439089672.db2.gz DLIWTNWWVCYLOM-LBPRGKRZSA-N 0 3 349.359 0.907 20 5 ECBDHN O=C1C[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000581126442 439171321 /nfs/dbraw/zinc/17/13/21/439171321.db2.gz LVBVIGILGVEBTL-FZMZJTMJSA-N 0 3 335.360 0.687 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000597655582 439149685 /nfs/dbraw/zinc/14/96/85/439149685.db2.gz YSBNZJMUEYTDDY-LBPRGKRZSA-N 0 3 347.375 0.648 20 5 ECBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000568805266 439279203 /nfs/dbraw/zinc/27/92/03/439279203.db2.gz RMFYWWVPCYQSGC-MRXNPFEDSA-N 0 3 345.359 0.658 20 5 ECBDHN CC1(C)CNCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000592473461 439236260 /nfs/dbraw/zinc/23/62/60/439236260.db2.gz QBRAFZQBOHMIHK-UHFFFAOYSA-N 0 3 349.391 0.604 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)CCN2C1=O ZINC000568532500 439257285 /nfs/dbraw/zinc/25/72/85/439257285.db2.gz GYCFPJMJBURYTH-TZMCWYRMSA-N 0 3 327.344 0.891 20 5 ECBDHN CN1CCC[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598896425 439323080 /nfs/dbraw/zinc/32/30/80/439323080.db2.gz IKKFXMZFLNIFNK-GFCCVEGCSA-N 0 3 335.364 0.927 20 5 ECBDHN COc1ccc(CN2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593052326 439335116 /nfs/dbraw/zinc/33/51/16/439335116.db2.gz PWSLXMKSKNMELE-UHFFFAOYSA-N 0 3 336.392 0.809 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CCN2C1=O ZINC000568883587 439286075 /nfs/dbraw/zinc/28/60/75/439286075.db2.gz NEHMNZIEGCXLHE-HTQZYQBOSA-N 0 3 345.281 0.757 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-]CC2([NH3+])CCOCC2)c([N+](=O)[O-])c1 ZINC000599105213 439359076 /nfs/dbraw/zinc/35/90/76/439359076.db2.gz WVYMQFKIWJXQMH-UHFFFAOYSA-N 0 3 345.377 0.390 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)n1 ZINC000599242499 439398342 /nfs/dbraw/zinc/39/83/42/439398342.db2.gz WERLXZBNCXDQHR-NSHDSACASA-N 0 3 343.409 0.435 20 5 ECBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594028014 439510258 /nfs/dbraw/zinc/51/02/58/439510258.db2.gz YXDDBIALWPVGOQ-BYCMXARLSA-N 0 3 334.376 0.673 20 5 ECBDHN CN1CCC[C@H](N2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)C1 ZINC000594293590 439537882 /nfs/dbraw/zinc/53/78/82/439537882.db2.gz YCPCQUMUYNOFLN-LBPRGKRZSA-N 0 3 348.407 0.424 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594094915 439514485 /nfs/dbraw/zinc/51/44/85/439514485.db2.gz QTEDXOOUGWWOFR-NWDGAFQWSA-N 0 3 336.348 0.886 20 5 ECBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCN(CC2CC2)C1 ZINC000609393468 439569407 /nfs/dbraw/zinc/56/94/07/439569407.db2.gz WJNFKBWIWDAOOS-AWEZNQCLSA-N 0 3 346.387 0.925 20 5 ECBDHN CNc1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599936809 439579451 /nfs/dbraw/zinc/57/94/51/439579451.db2.gz CANBKGUETCHHSZ-STQMWFEESA-N 0 3 334.376 0.918 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000594694853 439591809 /nfs/dbraw/zinc/59/18/09/439591809.db2.gz WEVKCAAZWCNOAB-ZYHUDNBSSA-N 0 3 328.332 0.286 20 5 ECBDHN CC(=O)NCc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000594718277 439595920 /nfs/dbraw/zinc/59/59/20/439595920.db2.gz MZFOBVNYQZWWLY-INIZCTEOSA-N 0 3 347.375 0.578 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594736730 439599443 /nfs/dbraw/zinc/59/94/43/439599443.db2.gz QWAQQDNGCPNKRR-KGLIPLIRSA-N 0 3 334.376 0.737 20 5 ECBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000610260680 439607191 /nfs/dbraw/zinc/60/71/91/439607191.db2.gz GIKXBVRUXFKGMC-JTQLQIEISA-N 0 3 326.378 0.752 20 5 ECBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000610260680 439607194 /nfs/dbraw/zinc/60/71/94/439607194.db2.gz GIKXBVRUXFKGMC-JTQLQIEISA-N 0 3 326.378 0.752 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000573578961 439653939 /nfs/dbraw/zinc/65/39/39/439653939.db2.gz JXDFVEVOUMEBGD-NEPJUHHUSA-N 0 3 333.348 0.679 20 5 ECBDHN C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000347635304 321246757 /nfs/dbraw/zinc/24/67/57/321246757.db2.gz VCDBVWAGUPIELE-ZCFIWIBFSA-N 0 3 338.183 0.983 20 5 ECBDHN NC(C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000353479093 321394018 /nfs/dbraw/zinc/39/40/18/321394018.db2.gz GOBHSCMZMXJKNS-GMSGAONNSA-N 0 3 333.270 0.892 20 5 ECBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1N1CCCC1 ZINC000361620191 321617607 /nfs/dbraw/zinc/61/76/07/321617607.db2.gz DZVKVHUZPITYSR-NEPJUHHUSA-N 0 3 339.421 0.980 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532790664 322061319 /nfs/dbraw/zinc/06/13/19/322061319.db2.gz AVHOJWBMQCCIDS-AWEZNQCLSA-N 0 3 325.321 0.366 20 5 ECBDHN C[S@@](=O)C1(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000563002972 322292500 /nfs/dbraw/zinc/29/25/00/322292500.db2.gz MGZOHQLQOKZSBJ-RKFFSXRUSA-N 0 3 328.390 0.835 20 5 ECBDHN O=C1CCC(=O)N1CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000569687441 322661353 /nfs/dbraw/zinc/66/13/53/322661353.db2.gz UZDZNSACVHRXLZ-GFCCVEGCSA-N 0 3 337.332 0.073 20 5 ECBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000726163900 578138613 /nfs/dbraw/zinc/13/86/13/578138613.db2.gz OQPBYZYLYHBJBR-WDEREUQCSA-N 0 3 349.343 0.917 20 5 ECBDHN O=C(NCCO)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578126 579284525 /nfs/dbraw/zinc/28/45/25/579284525.db2.gz DPKMGVGEQWCVFJ-HNNXBMFYSA-N 0 3 337.376 0.449 20 5 ECBDHN CN(C[C@@H](O)CN1CCOCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593087 579285497 /nfs/dbraw/zinc/28/54/97/579285497.db2.gz VZICOTJYWKRIRM-HZPDHXFCSA-N 0 3 339.392 0.253 20 5 ECBDHN Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000842483240 589032113 /nfs/dbraw/zinc/03/21/13/589032113.db2.gz HYXRGPPXLUUJGC-SECBINFHSA-N 0 3 349.796 0.823 20 5 ECBDHN Cc1nc(NC[C@@H]2CCN2C)nc(NC[C@@H]2CCN2C)c1[N+](=O)[O-] ZINC000895769780 586203945 /nfs/dbraw/zinc/20/39/45/586203945.db2.gz IMUFBEPQDNMHOK-RYUDHWBXSA-N 0 3 335.412 0.925 20 5 ECBDHN CC(C)N1CCN(CCC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000901135704 586697151 /nfs/dbraw/zinc/69/71/51/586697151.db2.gz QKJQHKZHKCRESI-UHFFFAOYSA-N 0 3 338.412 0.324 20 5 ECBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000807937384 587140060 /nfs/dbraw/zinc/14/00/60/587140060.db2.gz BQJDWEPPYAHMFB-OAHLLOKOSA-N 0 3 340.355 0.845 20 5 ECBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC[C@H](O)C2CC2)c1 ZINC000818980839 587463192 /nfs/dbraw/zinc/46/31/92/587463192.db2.gz JOQQBOGKQZPYAA-ZDUSSCGKSA-N 0 3 329.378 0.234 20 5 ECBDHN CC[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000819138994 587469961 /nfs/dbraw/zinc/46/99/61/587469961.db2.gz FTIKVUBBOKBGLZ-LSDHHAIUSA-N 0 3 337.376 0.855 20 5 ECBDHN CC[C@@H](CNS(C)(=O)=O)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819342681 587476997 /nfs/dbraw/zinc/47/69/97/587476997.db2.gz AOVPSRJHOVCJFZ-WCQYABFASA-N 0 3 331.394 0.546 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000823672483 587737438 /nfs/dbraw/zinc/73/74/38/587737438.db2.gz BFEREESDIONJBY-UHFFFAOYSA-N 0 3 337.380 0.423 20 5 ECBDHN Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1[N+](=O)[O-] ZINC000825648111 587954494 /nfs/dbraw/zinc/95/44/94/587954494.db2.gz LQPPKAYJLMUZSR-CQSZACIVSA-N 0 3 348.403 0.930 20 5 ECBDHN C[NH+](C)C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC000825859621 587967108 /nfs/dbraw/zinc/96/71/08/587967108.db2.gz IFMZFQULRRNKAR-LLVKDONJSA-N 0 3 333.352 0.542 20 5 ECBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCN1CC[C@@H](O)C1 ZINC000827536057 588126097 /nfs/dbraw/zinc/12/60/97/588126097.db2.gz OYRJVEQQCMIHDR-CYBMUJFWSA-N 0 3 325.340 0.849 20 5 ECBDHN CC([C@H](OC(=O)CN(C)S(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874720 589173861 /nfs/dbraw/zinc/17/38/61/589173861.db2.gz JVTHRAWIXMITKG-RNCFNFMXSA-N 0 3 348.352 0.967 20 5 ECBDHN CN1CCC(NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000865354885 590141384 /nfs/dbraw/zinc/14/13/84/590141384.db2.gz ZLDBWPRRZABTBR-UHFFFAOYSA-N 0 3 346.185 0.764 20 5 ECBDHN COC[C@]1(CN(C)C)COCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000876476058 590380166 /nfs/dbraw/zinc/38/01/66/590380166.db2.gz UIFXHZWOJZFBJW-OAHLLOKOSA-N 0 3 331.413 0.628 20 5 ECBDHN C[C@@H]1[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCN1C ZINC000925334150 611470828 /nfs/dbraw/zinc/47/08/28/611470828.db2.gz AONHDPALJHRBLU-CHWSQXEVSA-N 0 3 348.407 0.914 20 5 ECBDHN Cc1c(NC(=O)CCN2CCN(C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931405018 611537299 /nfs/dbraw/zinc/53/72/99/611537299.db2.gz FDUUFVZVCQCLDG-ZDUSSCGKSA-N 0 3 336.392 0.840 20 5 ECBDHN CN1CCC(N(CCO)C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000911937357 609923900 /nfs/dbraw/zinc/92/39/00/609923900.db2.gz USRZSLIKEXWJLA-UHFFFAOYSA-N 0 3 336.392 0.922 20 5 ECBDHN COc1ccc(CC(=O)N(C)CCN(C)CCO)cc1[N+](=O)[O-] ZINC000912606483 609976832 /nfs/dbraw/zinc/97/68/32/609976832.db2.gz GLFDSVAVWSTOTA-UHFFFAOYSA-N 0 3 325.365 0.528 20 5 ECBDHN Cc1cc(CC(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n[nH]1 ZINC000943671026 610936189 /nfs/dbraw/zinc/93/61/89/610936189.db2.gz FAJLCOPGJWHFNV-HBJVGIJOSA-N 0 3 349.391 0.469 20 5 ECBDHN Cc1cc(CC(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]n1 ZINC000943671026 610936192 /nfs/dbraw/zinc/93/61/92/610936192.db2.gz FAJLCOPGJWHFNV-HBJVGIJOSA-N 0 3 349.391 0.469 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2cnco2)C1 ZINC000984486905 746498988 /nfs/dbraw/zinc/49/89/88/746498988.db2.gz ODQNVEXXVWMWPD-MGCOHNPYSA-N 0 3 334.336 0.615 20 5 ECBDHN CC(C)N(C)CC(=O)N(C)CCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001105415206 747969943 /nfs/dbraw/zinc/96/99/43/747969943.db2.gz HFFPIGQSXHOQCL-UHFFFAOYSA-N 0 3 339.396 0.930 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2ccnn2C)C1 ZINC000983283443 755059135 /nfs/dbraw/zinc/05/91/35/755059135.db2.gz AVOZTRNQRLABBW-XYPYZODXSA-N 0 3 347.379 0.360 20 5 ECBDHN Cc1cc(C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)n[nH]1 ZINC001010561025 756242689 /nfs/dbraw/zinc/24/26/89/756242689.db2.gz KRCLXPQFEFMBDR-DGCLKSJQSA-N 0 3 347.375 0.448 20 5 ECBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c(=O)n1C ZINC001266799833 836324327 /nfs/dbraw/zinc/32/43/27/836324327.db2.gz FRPLEKQHJSDAGF-UHFFFAOYSA-N 0 3 333.348 0.896 20 5 ECBDHN C[C@@H]1OCC[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178683902 232375516 /nfs/dbraw/zinc/37/55/16/232375516.db2.gz JBEMUXKKSRRJFB-GWCFXTLKSA-N 0 3 329.378 0.640 20 5 ECBDHN CNc1nc(C(=O)NC[C@](C)(O)CCN(C)C)ccc1[N+](=O)[O-] ZINC000419984995 209269671 /nfs/dbraw/zinc/26/96/71/209269671.db2.gz VMVYKRCPDOXPHF-CQSZACIVSA-N 0 3 325.369 0.464 20 5 ECBDHN C[C@@H](CN)NC(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000419766045 209199661 /nfs/dbraw/zinc/19/96/61/209199661.db2.gz CTCKQUCHSCBZBU-ZETCQYMHSA-N 0 3 348.281 0.693 20 5 ECBDHN CCN1CCN(CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000080249234 217291274 /nfs/dbraw/zinc/29/12/74/217291274.db2.gz YQQGQCAROSPXLI-UHFFFAOYSA-N 0 3 349.435 0.785 20 5 ECBDHN CCN(C)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000264950175 247077975 /nfs/dbraw/zinc/07/79/75/247077975.db2.gz XUOXZAFHSPDHOC-UHFFFAOYSA-N 0 3 334.332 0.259 20 5 ECBDHN Cc1noc([C@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000266517523 248341465 /nfs/dbraw/zinc/34/14/65/248341465.db2.gz HCMKVJWISWZVMN-WCQYABFASA-N 0 3 336.352 0.723 20 5 ECBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CNCCO1 ZINC000420474159 209373230 /nfs/dbraw/zinc/37/32/30/209373230.db2.gz FPTGGQMRCYMJPI-GFCCVEGCSA-N 0 3 329.378 0.478 20 5 ECBDHN COc1ccc(C(=O)NCC(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000299236262 296851980 /nfs/dbraw/zinc/85/19/80/296851980.db2.gz HBHHTUUMXOXFIB-JTQLQIEISA-N 0 3 338.364 0.400 20 5 ECBDHN CCN(CCO)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183957353 263157670 /nfs/dbraw/zinc/15/76/70/263157670.db2.gz BOKPJQGHTVMLSW-UHFFFAOYSA-N 0 3 347.375 0.825 20 5 ECBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269619100 263192470 /nfs/dbraw/zinc/19/24/70/263192470.db2.gz MKQURWITCMCNMI-QWHCGFSZSA-N 0 3 336.392 0.993 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000269779357 263203893 /nfs/dbraw/zinc/20/38/93/263203893.db2.gz UECYKWPRBWVFGB-CYBMUJFWSA-N 0 3 347.393 0.194 20 5 ECBDHN COc1ccc(CNC(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000269840985 263208052 /nfs/dbraw/zinc/20/80/52/263208052.db2.gz BRDQDXVUXXSPLX-OAHLLOKOSA-N 0 3 340.380 0.715 20 5 ECBDHN COc1cc(C(=O)NC[C@@](C)(O)CN(C)C)cc([N+](=O)[O-])c1OC ZINC000269862240 263209204 /nfs/dbraw/zinc/20/92/04/263209204.db2.gz CWJMOIAJMSXBBE-OAHLLOKOSA-N 0 3 341.364 0.654 20 5 ECBDHN COCCNCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000286236576 264382237 /nfs/dbraw/zinc/38/22/37/264382237.db2.gz UQARISZXLKSJMD-UHFFFAOYSA-N 0 3 333.348 0.746 20 5 ECBDHN C[C@@H](CN(C)C)NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297909635 265199878 /nfs/dbraw/zinc/19/98/78/265199878.db2.gz ILKDUOITNIAKQV-LBPRGKRZSA-N 0 3 336.396 0.772 20 5 ECBDHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000440403203 277274885 /nfs/dbraw/zinc/27/48/85/277274885.db2.gz CPKFANWSDZHICD-SECBINFHSA-N 0 3 345.377 0.500 20 5 ECBDHN NC[C@H]1CCCCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419037681 279647870 /nfs/dbraw/zinc/64/78/70/279647870.db2.gz IXTBNSITGFJWDC-CYBMUJFWSA-N 0 3 334.376 0.593 20 5 ECBDHN NC(=O)C1(O)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000340217535 437606559 /nfs/dbraw/zinc/60/65/59/437606559.db2.gz JXPNFASGDFXFBN-UHFFFAOYSA-N 0 3 336.348 0.236 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)n1 ZINC000332668168 297063980 /nfs/dbraw/zinc/06/39/80/297063980.db2.gz QAQXXKGXKPXGPZ-GXSJLCMTSA-N 0 3 327.410 0.929 20 5 ECBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000337955123 297228315 /nfs/dbraw/zinc/22/83/15/297228315.db2.gz WXJCYAOIXQDVBR-ZDUSSCGKSA-N 0 3 337.380 0.595 20 5 ECBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000345402146 298151759 /nfs/dbraw/zinc/15/17/59/298151759.db2.gz HTVTWPPGXUSABQ-LBPRGKRZSA-N 0 3 338.412 0.332 20 5 ECBDHN C[C@@H]1C[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000353378392 299043529 /nfs/dbraw/zinc/04/35/29/299043529.db2.gz GXLSUCRZOJGAFM-DGCLKSJQSA-N 0 3 334.376 0.924 20 5 ECBDHN Cn1nccc1C1=CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000375689980 301198595 /nfs/dbraw/zinc/19/85/95/301198595.db2.gz SAKQGLRYVFOGIS-CQSZACIVSA-N 0 3 332.364 0.675 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](CN2CCOCC2)C1 ZINC000090550733 436433597 /nfs/dbraw/zinc/43/35/97/436433597.db2.gz FMGMGIRJMINDNK-CQSZACIVSA-N 0 3 336.392 0.411 20 5 ECBDHN CN1CCN(CCCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000061524511 436637063 /nfs/dbraw/zinc/63/70/63/436637063.db2.gz AVACVRWHYKMGJU-UHFFFAOYSA-N 0 3 336.392 0.727 20 5 ECBDHN CN1CCN(CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000063667147 436644790 /nfs/dbraw/zinc/64/47/90/436644790.db2.gz ANPBPIBMQQQFJG-UHFFFAOYSA-N 0 3 339.371 0.683 20 5 ECBDHN CN(C)C(=O)C(C)(C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544071290 302220650 /nfs/dbraw/zinc/22/06/50/302220650.db2.gz GFPZYWPULMHVCN-LLVKDONJSA-N 0 3 325.365 0.791 20 5 ECBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000269306780 436656801 /nfs/dbraw/zinc/65/68/01/436656801.db2.gz GNIOHMWFYJSBPE-CYBMUJFWSA-N 0 3 328.365 0.257 20 5 ECBDHN Cc1cc([N+](=O)[O-])cn(CC(=O)NC2CCN(C3CC3)CC2)c1=O ZINC000155840920 436803079 /nfs/dbraw/zinc/80/30/79/436803079.db2.gz HDCUAPPEOALBBU-UHFFFAOYSA-N 0 3 334.376 0.808 20 5 ECBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](N2CCCC2)C1 ZINC000161914145 436899165 /nfs/dbraw/zinc/89/91/65/436899165.db2.gz OZKQCUQBXJYTMN-GFCCVEGCSA-N 0 3 340.405 0.917 20 5 ECBDHN O=C(NCC(F)(F)F)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000275134007 436927762 /nfs/dbraw/zinc/92/77/62/436927762.db2.gz SMYLMXUPNRKFAP-VIFPVBQESA-N 0 3 335.286 0.792 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(CCCO)C1 ZINC000295603934 436974052 /nfs/dbraw/zinc/97/40/52/436974052.db2.gz XHEIWHNZQWPEMA-CYBMUJFWSA-N 0 3 337.376 0.937 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(CCCO)C1 ZINC000295624119 436975268 /nfs/dbraw/zinc/97/52/68/436975268.db2.gz YXCYBAMQAAJOLE-ZDUSSCGKSA-N 0 3 337.376 0.937 20 5 ECBDHN COCCCN(CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275496650 436975948 /nfs/dbraw/zinc/97/59/48/436975948.db2.gz QEQMSWQVQQCQAA-ZDUSSCGKSA-N 0 3 328.365 0.665 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)CCCO ZINC000264595153 437049853 /nfs/dbraw/zinc/04/98/53/437049853.db2.gz BKKKKUYZIFXOJB-UHFFFAOYSA-N 0 3 341.364 0.609 20 5 ECBDHN CCCc1n[nH]c(C(=O)NCCN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000265667243 437173778 /nfs/dbraw/zinc/17/37/78/437173778.db2.gz GJBNZAAMBNZVCT-UHFFFAOYSA-N 0 3 338.412 0.638 20 5 ECBDHN CC(C)[C@@H](NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000180053742 437278978 /nfs/dbraw/zinc/27/89/78/437278978.db2.gz QJMOUGRWHBZMBO-CYBMUJFWSA-N 0 3 325.369 0.264 20 5 ECBDHN CCC[N@H+](CC)CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339038982 437435653 /nfs/dbraw/zinc/43/56/53/437435653.db2.gz FAIMYQXSLLYAFF-UHFFFAOYSA-N 0 3 333.414 0.821 20 5 ECBDHN CCC[N@@H+](CC)CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339038982 437435656 /nfs/dbraw/zinc/43/56/56/437435656.db2.gz FAIMYQXSLLYAFF-UHFFFAOYSA-N 0 3 333.414 0.821 20 5 ECBDHN Cc1c(NC(=O)CCN(CCO)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000289782914 437440901 /nfs/dbraw/zinc/44/09/01/437440901.db2.gz LUULFAHFHXCVLH-NSHDSACASA-N 0 3 325.365 0.907 20 5 ECBDHN CN(C)[C@@]1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCSC1 ZINC000269027273 437446244 /nfs/dbraw/zinc/44/62/44/437446244.db2.gz HKSXQHHCNGVFRY-CYBMUJFWSA-N 0 3 342.425 0.528 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C1)OCCO2 ZINC000262750086 304801356 /nfs/dbraw/zinc/80/13/56/304801356.db2.gz MVASENTZNDHNCJ-MRVPVSSYSA-N 0 3 329.334 0.006 20 5 ECBDHN CS[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1N1CCCC1 ZINC000331374224 437748299 /nfs/dbraw/zinc/74/82/99/437748299.db2.gz CLRGEEXNEYMKQP-WDEREUQCSA-N 0 3 340.409 0.225 20 5 ECBDHN C[C@@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])nn2C)CCCO1 ZINC000347159986 437843105 /nfs/dbraw/zinc/84/31/05/437843105.db2.gz MTTNWUZHELSFIW-LLVKDONJSA-N 0 3 325.369 0.559 20 5 ECBDHN COc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424239791 437911423 /nfs/dbraw/zinc/91/14/23/437911423.db2.gz OIFYDIUUXHNKDF-QWHCGFSZSA-N 0 3 345.359 0.904 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000416492936 437944417 /nfs/dbraw/zinc/94/44/17/437944417.db2.gz BZOHZAZCRBXVQU-SNVBAGLBSA-N 0 3 329.378 0.833 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000358078164 438144602 /nfs/dbraw/zinc/14/46/02/438144602.db2.gz XWCUKJVBOBDYAE-AWEZNQCLSA-N 0 3 345.302 0.993 20 5 ECBDHN COCCNCCNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418783154 438189245 /nfs/dbraw/zinc/18/92/45/438189245.db2.gz NZKWFHANNPGGAM-LLVKDONJSA-N 0 3 338.364 0.124 20 5 ECBDHN CC(C)(O)CN1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000373435986 438151632 /nfs/dbraw/zinc/15/16/32/438151632.db2.gz QKZLHOLNACQSQG-UHFFFAOYSA-N 0 3 337.380 0.722 20 5 ECBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1C1CCN(C)CC1 ZINC000374256727 438199753 /nfs/dbraw/zinc/19/97/53/438199753.db2.gz XFBBVAXJIYSVRC-LLVKDONJSA-N 0 3 335.412 0.572 20 5 ECBDHN COc1cc(OCC(=O)NC[C@@H]2C[C@H](F)CN2)ccc1[N+](=O)[O-] ZINC000368201750 438299986 /nfs/dbraw/zinc/29/99/86/438299986.db2.gz NEFCTIIIFJKWRZ-UWVGGRQHSA-N 0 3 327.312 0.798 20 5 ECBDHN CC1CCN(C[C@@H](O)CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000359027274 438347767 /nfs/dbraw/zinc/34/77/67/438347767.db2.gz GQSORYYMVPWTCW-LBPRGKRZSA-N 0 3 337.380 0.626 20 5 ECBDHN Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC000420485295 438410163 /nfs/dbraw/zinc/41/01/63/438410163.db2.gz ZOKHUIXKFSHXTM-NSHDSACASA-N 0 3 329.378 0.478 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCN2C)c1C ZINC000420463993 438410685 /nfs/dbraw/zinc/41/06/85/438410685.db2.gz XDQDVQQZKJIBKV-LBPRGKRZSA-N 0 3 342.421 0.394 20 5 ECBDHN CN(C[C@@H]1CCCN1C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000420637413 438416361 /nfs/dbraw/zinc/41/63/61/438416361.db2.gz OMTHJQJSFLDEJY-JTQLQIEISA-N 0 3 328.394 0.773 20 5 ECBDHN CN(C)CCn1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000352795075 438477219 /nfs/dbraw/zinc/47/72/19/438477219.db2.gz JAODXIBOURXPLG-UHFFFAOYSA-N 0 3 343.347 1.482 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000493545521 438633114 /nfs/dbraw/zinc/63/31/14/438633114.db2.gz CSVVNMRORIHBNW-DZYGNGBISA-N 0 3 330.344 0.378 20 5 ECBDHN Cc1c(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cccc1[N+](=O)[O-] ZINC000576462859 438784771 /nfs/dbraw/zinc/78/47/71/438784771.db2.gz AUSATRQGDKGYDP-UHFFFAOYSA-N 0 3 331.336 0.683 20 5 ECBDHN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000556903928 438794564 /nfs/dbraw/zinc/79/45/64/438794564.db2.gz GJJAKTQPLIMERE-NSHDSACASA-N 0 3 338.364 0.156 20 5 ECBDHN O=C(CN1CCCC1)N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601113986 438821447 /nfs/dbraw/zinc/82/14/47/438821447.db2.gz LLQXQRGMMURGFS-UHFFFAOYSA-N 0 3 337.355 0.873 20 5 ECBDHN CN1CCN(CCCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000514815458 438832742 /nfs/dbraw/zinc/83/27/42/438832742.db2.gz NBWJJDGFXSQJEA-UHFFFAOYSA-N 0 3 336.396 0.528 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860718 438843521 /nfs/dbraw/zinc/84/35/21/438843521.db2.gz KYNFPTJCFKOKQD-OLZOCXBDSA-N 0 3 334.376 0.674 20 5 ECBDHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595664300 438843712 /nfs/dbraw/zinc/84/37/12/438843712.db2.gz OXKRNVITWSIMII-COPLHBTASA-N 0 3 340.332 0.255 20 5 ECBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595735174 438852867 /nfs/dbraw/zinc/85/28/67/438852867.db2.gz DDQCUHJUXOPDLI-STQMWFEESA-N 0 3 326.349 0.682 20 5 ECBDHN NS(=O)(=O)c1ccc(N2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000589106545 438856233 /nfs/dbraw/zinc/85/62/33/438856233.db2.gz HWWFAVMLSXHGKF-UHFFFAOYSA-N 0 3 340.405 0.774 20 5 ECBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC000596097805 438923997 /nfs/dbraw/zinc/92/39/97/438923997.db2.gz LYAJWXOSOARJQY-UHFFFAOYSA-N 0 3 332.360 0.984 20 5 ECBDHN N[C@H]1C[C@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CCN2C1=O ZINC000565232224 438930794 /nfs/dbraw/zinc/93/07/94/438930794.db2.gz ADXWJKPEBQOZPS-RYUDHWBXSA-N 0 3 331.376 0.617 20 5 ECBDHN CCNC(=O)C(C)(C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459563488 438975996 /nfs/dbraw/zinc/97/59/96/438975996.db2.gz QONSJIVTRXIQBW-LBPRGKRZSA-N 0 3 325.365 0.839 20 5 ECBDHN CCS(=O)(=O)NCCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000579227449 438990637 /nfs/dbraw/zinc/99/06/37/438990637.db2.gz ITYTVXQDXSBBBQ-UHFFFAOYSA-N 0 3 344.393 0.452 20 5 ECBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000591756650 439081149 /nfs/dbraw/zinc/08/11/49/439081149.db2.gz MRXPVJZIJZDUEL-WOSRLPQWSA-N 0 3 339.392 0.643 20 5 ECBDHN C[C@@H](N)[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475944 439236108 /nfs/dbraw/zinc/23/61/08/439236108.db2.gz WZEZDGIDGOAKFU-BXUZGUMPSA-N 0 3 343.405 0.417 20 5 ECBDHN CN(CC1CN(C)C1)c1ncc([N+](=O)[O-])c(N(C)CC2CN(C)C2)n1 ZINC000603411764 439256152 /nfs/dbraw/zinc/25/61/52/439256152.db2.gz YYDIJLBNSSEOLA-UHFFFAOYSA-N 0 3 349.439 0.380 20 5 ECBDHN CN(CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598894874 439324256 /nfs/dbraw/zinc/32/42/56/439324256.db2.gz SXFJIXIYPIDNQI-UHFFFAOYSA-N 0 3 335.364 0.927 20 5 ECBDHN CN(C(=O)CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000570156127 439396166 /nfs/dbraw/zinc/39/61/66/439396166.db2.gz YGIGNLLUFLZBQP-AWEZNQCLSA-N 0 3 339.396 0.533 20 5 ECBDHN CC(C)Oc1nc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000570409244 439419356 /nfs/dbraw/zinc/41/93/56/439419356.db2.gz DYPWVBXTWTXUQR-WDEREUQCSA-N 0 3 335.364 0.525 20 5 ECBDHN Cc1c(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000583511822 439475056 /nfs/dbraw/zinc/47/50/56/439475056.db2.gz ZFGYGCAHMWSSFC-QWHCGFSZSA-N 0 3 347.375 0.357 20 5 ECBDHN [NH3+][C@@H]1CCC[C@@H](NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000571178519 439482661 /nfs/dbraw/zinc/48/26/61/439482661.db2.gz GQJCKHXMSICCHX-VXGBXAGGSA-N 0 3 342.421 0.733 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](CO)CN1CCCC1 ZINC000583871908 439522759 /nfs/dbraw/zinc/52/27/59/439522759.db2.gz HYNUOGPNGHUWIL-ZIAGYGMSSA-N 0 3 339.392 0.381 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594198953 439526167 /nfs/dbraw/zinc/52/61/67/439526167.db2.gz WMEULGDLIZIONK-KBPBESRZSA-N 0 3 334.376 0.890 20 5 ECBDHN CC(=O)NC[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599705609 439541231 /nfs/dbraw/zinc/54/12/31/439541231.db2.gz XQXKEVLCQCXFGK-JSGCOSHPSA-N 0 3 325.369 0.143 20 5 ECBDHN CNc1c(C(=O)NC[C@@]2(O)CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000594357852 439547437 /nfs/dbraw/zinc/54/74/37/439547437.db2.gz PFQFRUDXCWWYHZ-MRXNPFEDSA-N 0 3 334.376 0.823 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000594359189 439547592 /nfs/dbraw/zinc/54/75/92/439547592.db2.gz WTVCAYOEWBAKQS-QWRGUYRKSA-N 0 3 345.302 0.943 20 5 ECBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC(=O)N(C)C1 ZINC000572100430 439556389 /nfs/dbraw/zinc/55/63/89/439556389.db2.gz XEEYVCFNHLQGLP-UONOGXRCSA-N 0 3 337.376 0.887 20 5 ECBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC(=O)N(C)C1 ZINC000572100429 439557412 /nfs/dbraw/zinc/55/74/12/439557412.db2.gz XEEYVCFNHLQGLP-KGLIPLIRSA-N 0 3 337.376 0.887 20 5 ECBDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000586101486 439657418 /nfs/dbraw/zinc/65/74/18/439657418.db2.gz RHLDANQPHWDHIB-UHFFFAOYSA-N 0 3 346.347 0.862 20 5 ECBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000610489305 439620851 /nfs/dbraw/zinc/62/08/51/439620851.db2.gz ZVPURXKUJCTXPP-ZDUSSCGKSA-N 0 3 349.391 0.780 20 5 ECBDHN COc1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000595231231 439677179 /nfs/dbraw/zinc/67/71/79/439677179.db2.gz NYELLBAHGRZGQK-QWRGUYRKSA-N 0 3 349.347 0.379 20 5 ECBDHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000595264393 439685574 /nfs/dbraw/zinc/68/55/74/439685574.db2.gz XGAQMDCBMAJOBE-BPNCWPANSA-N 0 3 347.375 0.609 20 5 ECBDHN CN(C)C[C@]1(O)CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000618923343 440177907 /nfs/dbraw/zinc/17/79/07/440177907.db2.gz GIHBKCNEVWLWPN-CQSZACIVSA-N 0 3 325.369 0.097 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000342144303 321075484 /nfs/dbraw/zinc/07/54/84/321075484.db2.gz ZFBCKGUMHQFERX-NSHDSACASA-N 0 3 338.364 0.189 20 5 ECBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCOCCN(C)C ZINC000347185790 321233194 /nfs/dbraw/zinc/23/31/94/321233194.db2.gz VRZABFCYIGZFJI-UHFFFAOYSA-N 0 3 331.394 0.760 20 5 ECBDHN C[C@@](CO)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000347724727 321248681 /nfs/dbraw/zinc/24/86/81/321248681.db2.gz VENAVDSMXGADBE-CABCVRRESA-N 0 3 336.348 0.355 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@](C)(O)CN(C)C)c1 ZINC000351880478 321338656 /nfs/dbraw/zinc/33/86/56/321338656.db2.gz KJVIIZVCAUEXIX-AWEZNQCLSA-N 0 3 345.421 0.803 20 5 ECBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356451716 321531765 /nfs/dbraw/zinc/53/17/65/321531765.db2.gz AOURJITUUMLCJD-UHFFFAOYSA-N 0 3 332.364 0.927 20 5 ECBDHN O=C(CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000564670401 322387081 /nfs/dbraw/zinc/38/70/81/322387081.db2.gz OXYFJLVXCJGVGG-CQSZACIVSA-N 0 3 337.376 0.937 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](CO)Cc1ccncc1 ZINC000573564996 322763898 /nfs/dbraw/zinc/76/38/98/322763898.db2.gz PMWLRHTVVPGYTF-HUUCEWRRSA-N 0 3 347.371 0.923 20 5 ECBDHN CCN(CCO)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000184006336 528550455 /nfs/dbraw/zinc/55/04/55/528550455.db2.gz ILVHSXJDCYTCCR-UHFFFAOYSA-N 0 3 347.375 0.825 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000186860289 545898517 /nfs/dbraw/zinc/89/85/17/545898517.db2.gz XKBWMZDXRHRJID-SNVBAGLBSA-N 0 3 339.396 0.798 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000186860289 545898520 /nfs/dbraw/zinc/89/85/20/545898520.db2.gz XKBWMZDXRHRJID-SNVBAGLBSA-N 0 3 339.396 0.798 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000752481481 579386070 /nfs/dbraw/zinc/38/60/70/579386070.db2.gz NVMPANRKTYSRGN-OAHLLOKOSA-N 0 3 335.364 0.373 20 5 ECBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000758165646 579468010 /nfs/dbraw/zinc/46/80/10/579468010.db2.gz PZZBTSFAFJDWQU-ZDUSSCGKSA-N 0 3 349.391 0.945 20 5 ECBDHN CC(COC(=O)c1cnn(C)c1I)[N+](=O)[O-] ZINC000816091994 587306051 /nfs/dbraw/zinc/30/60/51/587306051.db2.gz PNPXUXCTWJLWDK-YFKPBYRVSA-N 0 3 339.089 0.847 20 5 ECBDHN Cc1c(C(=O)NC[C@@H]2CNCCO2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818012128 587396800 /nfs/dbraw/zinc/39/68/00/587396800.db2.gz SAVULSOYTWVERF-JTQLQIEISA-N 0 3 338.320 0.838 20 5 ECBDHN CC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000819141079 587469957 /nfs/dbraw/zinc/46/99/57/587469957.db2.gz UXBJNMGFRLITKL-GJZGRUSLSA-N 0 3 337.376 0.855 20 5 ECBDHN CC[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000819138991 587470059 /nfs/dbraw/zinc/47/00/59/587470059.db2.gz FTIKVUBBOKBGLZ-HUUCEWRRSA-N 0 3 337.376 0.855 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000854465161 589587844 /nfs/dbraw/zinc/58/78/44/589587844.db2.gz OTQLUESXZAUXKZ-SECBINFHSA-N 0 3 328.344 0.452 20 5 ECBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000861347681 589841535 /nfs/dbraw/zinc/84/15/35/589841535.db2.gz QQAPPWNCCAXLSE-OCCSQVGLSA-N 0 3 326.353 0.834 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865900013 590161385 /nfs/dbraw/zinc/16/13/85/590161385.db2.gz DBLHALUFMPANLC-JTQLQIEISA-N 0 3 340.355 0.782 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880581403 590408328 /nfs/dbraw/zinc/40/83/28/590408328.db2.gz AWUOMJYOBSYCSI-AWEZNQCLSA-N 0 3 337.376 0.620 20 5 ECBDHN O=C(c1ccn[nH]1)N1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000952713759 612620708 /nfs/dbraw/zinc/62/07/08/612620708.db2.gz YWZSURPWEVOMCF-LSCVPOLPSA-N 0 3 333.348 0.280 20 5 ECBDHN COc1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001025775378 739943239 /nfs/dbraw/zinc/94/32/39/739943239.db2.gz UJBUCAJVUGTESK-VVSAWPALSA-N 0 3 332.360 0.302 20 5 ECBDHN Cn1nccc1CN1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC000982278426 751849495 /nfs/dbraw/zinc/84/94/95/751849495.db2.gz CAYBTZYJSAPRKO-SRABZTEZSA-N 0 3 347.419 0.756 20 5 ECBDHN COc1nccc(CN2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001001399890 746341289 /nfs/dbraw/zinc/34/12/89/746341289.db2.gz OBJYLLAVGHYFIO-ZIAGYGMSSA-N 0 3 349.391 0.479 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CCc1cn[nH]c1 ZINC001167934302 753639854 /nfs/dbraw/zinc/63/98/54/753639854.db2.gz LWYPAQHTXBQHLI-UHFFFAOYSA-N 0 3 335.368 0.280 20 5 ECBDHN CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001105554185 753821050 /nfs/dbraw/zinc/82/10/50/753821050.db2.gz SZHGZGFHKIVFRU-UHFFFAOYSA-N 0 3 325.369 0.542 20 5 ECBDHN O=C(Cc1ncn[nH]1)N1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000989452669 753956745 /nfs/dbraw/zinc/95/67/45/753956745.db2.gz IZMDXHCYQZGHLY-UHFFFAOYSA-N 0 3 344.375 0.990 20 5 ECBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)CCN(C)CCO)cc1[N+](=O)[O-] ZINC001168350777 754906687 /nfs/dbraw/zinc/90/66/87/754906687.db2.gz WGSVAXJJKHCXJY-UHFFFAOYSA-N 0 3 340.336 0.808 20 5 ECBDHN Cc1nc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@H]3C2)oc1C ZINC001048813054 757074959 /nfs/dbraw/zinc/07/49/59/757074959.db2.gz XNDGUBSOFHMWML-XJFOESAGSA-N 0 3 334.376 0.847 20 5 ECBDHN O=C(Cn1ncnn1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022083631 758254345 /nfs/dbraw/zinc/25/43/45/758254345.db2.gz WWLKCVXBMLPGNL-TXEJJXNPSA-N 0 3 331.336 0.018 20 5 ECBDHN CCN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CN(C)C(C)C ZINC001106778618 768941805 /nfs/dbraw/zinc/94/18/05/768941805.db2.gz FSOJCKYJFVSXHA-UHFFFAOYSA-N 0 3 339.400 0.568 20 5 ECBDHN Cc1cc(CC(=O)N[C@H]2C[C@H](NCc3c([N+](=O)[O-])ncn3C)C2)n[nH]1 ZINC001020066578 772119973 /nfs/dbraw/zinc/11/99/73/772119973.db2.gz NCERJENUBMFUIE-XYPYZODXSA-N 0 3 347.379 0.339 20 5 ECBDHN Cc1cc(CC(=O)N[C@H]2C[C@H](NCc3c([N+](=O)[O-])ncn3C)C2)[nH]n1 ZINC001020066578 772119974 /nfs/dbraw/zinc/11/99/74/772119974.db2.gz NCERJENUBMFUIE-XYPYZODXSA-N 0 3 347.379 0.339 20 5 ECBDHN Cn1nncc1CN1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001040701318 783297793 /nfs/dbraw/zinc/29/77/93/783297793.db2.gz ZAJYLCMKWWBLJH-ZIAGYGMSSA-N 0 3 348.407 0.295 20 5 ECBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCc1cn(C)nn1 ZINC001267478325 837520703 /nfs/dbraw/zinc/52/07/03/837520703.db2.gz PJNXDNVWUULYGU-UHFFFAOYSA-N 0 3 346.391 0.904 20 5 ECBDHN NC(=O)NCCC(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001266636967 836073053 /nfs/dbraw/zinc/07/30/53/836073053.db2.gz WAXMOVFLUVDMOW-HAQNSBGRSA-N 0 3 335.364 0.390 20 5 ECBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@@H]2CCCOC2)c1 ZINC000178006033 232056680 /nfs/dbraw/zinc/05/66/80/232056680.db2.gz GIIPNWZARXHVPF-LLVKDONJSA-N 0 3 329.378 0.642 20 5 ECBDHN C[C@H]1OCC[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178683888 232373660 /nfs/dbraw/zinc/37/36/60/232373660.db2.gz JBEMUXKKSRRJFB-MFKMUULPSA-N 0 3 329.378 0.640 20 5 ECBDHN CN1CC[C@@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067483457 215151741 /nfs/dbraw/zinc/15/17/41/215151741.db2.gz SXEIUQIABCFIAG-NSHDSACASA-N 0 3 330.348 0.857 20 5 ECBDHN CN1CCC(O)(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000355280465 299230565 /nfs/dbraw/zinc/23/05/65/299230565.db2.gz ADUWKBKELPTCNA-UHFFFAOYSA-N 0 3 336.348 0.106 20 5 ECBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2CNCCO2)cc1 ZINC000420475294 209374514 /nfs/dbraw/zinc/37/45/14/209374514.db2.gz GRRSXKRRHWBUSO-ZDUSSCGKSA-N 0 3 329.378 0.045 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000443676599 211031508 /nfs/dbraw/zinc/03/15/08/211031508.db2.gz VZKYHUYMMGCWGJ-VXGBXAGGSA-N 0 3 340.384 0.192 20 5 ECBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CNCCO1 ZINC000420474606 209374257 /nfs/dbraw/zinc/37/42/57/209374257.db2.gz FWYWPXXORIXEAG-LBPRGKRZSA-N 0 3 329.378 0.424 20 5 ECBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1N1CCCC1 ZINC000331639168 296950780 /nfs/dbraw/zinc/95/07/80/296950780.db2.gz UICNUDVSMHSOTP-MNOVXSKESA-N 0 3 325.394 0.970 20 5 ECBDHN CC(C)c1n[nH]c(C(=O)N2CCO[C@H](CN(C)C)C2)c1[N+](=O)[O-] ZINC000269473123 263184329 /nfs/dbraw/zinc/18/43/29/263184329.db2.gz UWPGGHMXJWVCTG-SNVBAGLBSA-N 0 3 325.369 0.844 20 5 ECBDHN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1n1ccnc1 ZINC000269692051 263197479 /nfs/dbraw/zinc/19/74/79/263197479.db2.gz ILKISNMCIPXVRX-YUELXQCFSA-N 0 3 334.380 0.932 20 5 ECBDHN COc1cc(OCC(=O)NC[C@@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000269963965 263215458 /nfs/dbraw/zinc/21/54/58/263215458.db2.gz YISVZJGHBGCDNU-OAHLLOKOSA-N 0 3 341.364 0.411 20 5 ECBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000283845978 264157790 /nfs/dbraw/zinc/15/77/90/264157790.db2.gz GVPXOZSJXCREAP-UHFFFAOYSA-N 0 3 339.371 0.683 20 5 ECBDHN CN1CC[C@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284965519 264263417 /nfs/dbraw/zinc/26/34/17/264263417.db2.gz WSEWLLSSSBRMHG-HUUCEWRRSA-N 0 3 334.376 0.599 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286149248 264375359 /nfs/dbraw/zinc/37/53/59/264375359.db2.gz INBZYMIDYSLKLK-AWEZNQCLSA-N 0 3 333.392 0.920 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CCO)CC1 ZINC000298092679 265221687 /nfs/dbraw/zinc/22/16/87/265221687.db2.gz JMGVESFIAXPNOP-UHFFFAOYSA-N 0 3 336.392 0.842 20 5 ECBDHN CC(C)(CC[NH3+])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000422557187 277296571 /nfs/dbraw/zinc/29/65/71/277296571.db2.gz VLSHLJCOZMUNHK-UHFFFAOYSA-N 0 3 345.377 0.772 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)n1 ZINC000332728580 297068458 /nfs/dbraw/zinc/06/84/58/297068458.db2.gz UWNGSLRDWCBONB-GHMZBOCLSA-N 0 3 325.369 0.338 20 5 ECBDHN CCN1CC[C@@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000339389274 297344883 /nfs/dbraw/zinc/34/48/83/297344883.db2.gz FGDBJHSVUSLNGR-HOTGVXAUSA-N 0 3 348.403 0.989 20 5 ECBDHN C[C@@H]1[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCCN1C ZINC000344603113 298041535 /nfs/dbraw/zinc/04/15/35/298041535.db2.gz QBVHEKOYAXAONF-BXUZGUMPSA-N 0 3 334.376 0.924 20 5 ECBDHN CN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CN2CCC1CC2 ZINC000353355218 299041976 /nfs/dbraw/zinc/04/19/76/299041976.db2.gz ZZBQELZFKBDASR-HNNXBMFYSA-N 0 3 346.387 0.877 20 5 ECBDHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000361086091 300059608 /nfs/dbraw/zinc/05/96/08/300059608.db2.gz LWEUWADAXNHJKQ-VIFPVBQESA-N 0 3 344.755 0.225 20 5 ECBDHN COC(=O)C[C@]1(NCCn2cc([N+](=O)[O-])ccc2=O)CCOC1 ZINC000362269439 300178538 /nfs/dbraw/zinc/17/85/38/300178538.db2.gz JFJZHLMUMVMTOQ-CQSZACIVSA-N 0 3 325.321 0.068 20 5 ECBDHN C[C@@H](CO)N1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000375498871 301180869 /nfs/dbraw/zinc/18/08/69/301180869.db2.gz GTQXYWRLQVAQBK-ZDUSSCGKSA-N 0 3 336.392 0.922 20 5 ECBDHN C[C@H](CO)N1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000375498869 301180935 /nfs/dbraw/zinc/18/09/35/301180935.db2.gz GTQXYWRLQVAQBK-CYBMUJFWSA-N 0 3 336.392 0.922 20 5 ECBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1C[NH2+]CCCO1 ZINC000390239012 301452298 /nfs/dbraw/zinc/45/22/98/301452298.db2.gz RCEHDOWWUIKSRM-JTQLQIEISA-N 0 3 349.796 0.905 20 5 ECBDHN O=C1[C@H](N[C@@H]2CCc3ncnn3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109132792 436623193 /nfs/dbraw/zinc/62/31/93/436623193.db2.gz DBOIBAUZPYHDIL-BXUZGUMPSA-N 0 3 342.359 0.896 20 5 ECBDHN CCN1CCN(CCNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000112918103 436634396 /nfs/dbraw/zinc/63/43/96/436634396.db2.gz HLSAQHXGJMWIAK-UHFFFAOYSA-N 0 3 336.392 0.971 20 5 ECBDHN CN1CCC[C@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000112924297 436634959 /nfs/dbraw/zinc/63/49/59/436634959.db2.gz KKHUCYBPIWMJPR-LBPRGKRZSA-N 0 3 330.348 1.000 20 5 ECBDHN Cc1sc(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000125718851 436774590 /nfs/dbraw/zinc/77/45/90/436774590.db2.gz ZQQAREYPYAZQED-LLVKDONJSA-N 0 3 337.423 0.556 20 5 ECBDHN CC1CCN(C[C@H](O)CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000126606742 436789163 /nfs/dbraw/zinc/78/91/63/436789163.db2.gz LHLABJCUHKRELE-LLVKDONJSA-N 0 3 325.369 0.151 20 5 ECBDHN CCC[C@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262169177 436913023 /nfs/dbraw/zinc/91/30/23/436913023.db2.gz WQSZXHQWUKVJNH-LBPRGKRZSA-N 0 3 344.393 0.117 20 5 ECBDHN CS[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCCC1 ZINC000275094691 436922883 /nfs/dbraw/zinc/92/28/83/436922883.db2.gz IVJANPKVKVJNQD-OLZOCXBDSA-N 0 3 339.421 0.830 20 5 ECBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCOCCO)CC3)nc2c1 ZINC000274802583 436874968 /nfs/dbraw/zinc/87/49/68/436874968.db2.gz FUXIGXGIWOQNCP-UHFFFAOYSA-N 0 3 349.391 0.992 20 5 ECBDHN CCCc1n[nH]c(C(=O)NCCCN(C)CCOC)c1[N+](=O)[O-] ZINC000264586582 437050657 /nfs/dbraw/zinc/05/06/57/437050657.db2.gz CGDIYRFJFIDMNN-UHFFFAOYSA-N 0 3 327.385 0.969 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000264611672 437053398 /nfs/dbraw/zinc/05/33/98/437053398.db2.gz ZMJQVXBDADEFFA-CYBMUJFWSA-N 0 3 334.376 0.843 20 5 ECBDHN COCCCOC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173795325 437064041 /nfs/dbraw/zinc/06/40/41/437064041.db2.gz BSRIRHAPJKXFMJ-CQSZACIVSA-N 0 3 342.396 0.670 20 5 ECBDHN C[C@H](CO)N(C[C@H](C)O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000276209901 437072234 /nfs/dbraw/zinc/07/22/34/437072234.db2.gz OYFUGYLNBVVHKT-DYEKYZERSA-N 0 3 328.365 0.398 20 5 ECBDHN CN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000176640840 437151941 /nfs/dbraw/zinc/15/19/41/437151941.db2.gz VMJOYGPWIDFINR-CQSZACIVSA-N 0 3 334.376 0.877 20 5 ECBDHN Cn1cc(C[C@@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000304505076 437159850 /nfs/dbraw/zinc/15/98/50/437159850.db2.gz GWCMHXAAROSWIU-SWLSCSKDSA-N 0 3 334.380 0.450 20 5 ECBDHN Cc1nn(C)c(N2CCN(C(=O)CN3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301185746 437115901 /nfs/dbraw/zinc/11/59/01/437115901.db2.gz JNJWZVYNLXFYHW-UHFFFAOYSA-N 0 3 336.396 0.381 20 5 ECBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000331611589 437130337 /nfs/dbraw/zinc/13/03/37/437130337.db2.gz RRKYDUOFCCENLQ-GFCCVEGCSA-N 0 3 334.376 0.890 20 5 ECBDHN COCCCN(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000266667181 437227702 /nfs/dbraw/zinc/22/77/02/437227702.db2.gz NCSNKRCMWPBPMZ-UHFFFAOYSA-N 0 3 338.364 0.618 20 5 ECBDHN CN1CCC(O)(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000266774387 437241394 /nfs/dbraw/zinc/24/13/94/437241394.db2.gz QXQCEDYIEIGQMW-UHFFFAOYSA-N 0 3 333.348 0.658 20 5 ECBDHN Cc1c(C(=O)NC[C@H](C)N(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266790839 437242990 /nfs/dbraw/zinc/24/29/90/437242990.db2.gz FARQOGHOYHRXFD-QMMMGPOBSA-N 0 3 344.393 0.231 20 5 ECBDHN COCCO[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000179342349 437259033 /nfs/dbraw/zinc/25/90/33/437259033.db2.gz DEUWSVRUYWQKJY-KBPBESRZSA-N 0 3 328.369 0.280 20 5 ECBDHN O=C1NC(=O)[C@]2(CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000279058792 437369702 /nfs/dbraw/zinc/36/97/02/437369702.db2.gz LKNJPUUXWKAQQH-OAHLLOKOSA-N 0 3 334.332 0.648 20 5 ECBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000184070275 437396467 /nfs/dbraw/zinc/39/64/67/437396467.db2.gz KDKMFMRLYVIXJB-GFCCVEGCSA-N 0 3 335.408 0.933 20 5 ECBDHN CN1CCC[C@H]1CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000353960638 437493604 /nfs/dbraw/zinc/49/36/04/437493604.db2.gz KECLAYLAVSXWHH-AWEZNQCLSA-N 0 3 349.391 0.604 20 5 ECBDHN C[C@H](c1ccccc1)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000292394843 437685192 /nfs/dbraw/zinc/68/51/92/437685192.db2.gz ZYUIBAZVSONMEE-KCPJHIHWSA-N 0 3 347.375 0.399 20 5 ECBDHN Cn1cc(C(=O)NC[C@@H]2CNCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423990489 437869274 /nfs/dbraw/zinc/86/92/74/437869274.db2.gz KHBUJTKFWNLZRU-ZDUSSCGKSA-N 0 3 345.359 0.714 20 5 ECBDHN Cn1cc([C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000424421577 437931604 /nfs/dbraw/zinc/93/16/04/437931604.db2.gz YQXGTEYMRBYZKC-WDEREUQCSA-N 0 3 331.336 0.104 20 5 ECBDHN CN1CCC[C@@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000357911739 438097738 /nfs/dbraw/zinc/09/77/38/438097738.db2.gz KZDSZFLCBLIMRB-GFCCVEGCSA-N 0 3 348.359 0.531 20 5 ECBDHN CC(C(=O)NC(=O)NC1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358414730 438221916 /nfs/dbraw/zinc/22/19/16/438221916.db2.gz LMUPUWRMANWUIB-MRVPVSSYSA-N 0 3 341.345 0.745 20 5 ECBDHN C[C@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1CN ZINC000418874107 438231030 /nfs/dbraw/zinc/23/10/30/438231030.db2.gz VCAMEUTYFZPNBF-SWLSCSKDSA-N 0 3 348.403 0.839 20 5 ECBDHN O=C1NC[C@@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377666985 438322092 /nfs/dbraw/zinc/32/20/92/438322092.db2.gz CREKLPJKWHBMRY-UXIGCNINSA-N 0 3 335.360 0.402 20 5 ECBDHN CN(C[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713987 438325081 /nfs/dbraw/zinc/32/50/81/438325081.db2.gz XYYCLJIOAJROIV-SWLSCSKDSA-N 0 3 335.408 0.931 20 5 ECBDHN CCCC[C@H](CN)NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419032313 438297110 /nfs/dbraw/zinc/29/71/10/438297110.db2.gz BAEQXUXHBZRVLP-CYBMUJFWSA-N 0 3 336.392 0.887 20 5 ECBDHN CN(C)CC[C@@](C)(O)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000352119274 438386539 /nfs/dbraw/zinc/38/65/39/438386539.db2.gz DKPMODOHUARHPU-OAHLLOKOSA-N 0 3 325.365 0.793 20 5 ECBDHN COC(=O)CC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438836007 438486866 /nfs/dbraw/zinc/48/68/66/438486866.db2.gz XWVSDHBPSDINII-CYBMUJFWSA-N 0 3 326.353 0.427 20 5 ECBDHN CN(C[C@@H]1CCCN1C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000422018418 438510763 /nfs/dbraw/zinc/51/07/63/438510763.db2.gz JFNCSSNQKKLFCE-AWEZNQCLSA-N 0 3 334.376 0.877 20 5 ECBDHN Cn1cc(CNC[C@@H]2CNCCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414977215 438725590 /nfs/dbraw/zinc/72/55/90/438725590.db2.gz POQHKQJKEUTIKB-INIZCTEOSA-N 0 3 344.419 0.989 20 5 ECBDHN C[C@H]1CN(CCO)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000457140041 438798118 /nfs/dbraw/zinc/79/81/18/438798118.db2.gz XIVSEYHMYDAXLK-JTQLQIEISA-N 0 3 333.348 0.610 20 5 ECBDHN N[C@H]1C[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C1=O ZINC000577077745 438812486 /nfs/dbraw/zinc/81/24/86/438812486.db2.gz OTDYXKOIPZGDRL-QWRGUYRKSA-N 0 3 331.332 0.480 20 5 ECBDHN CO[C@@]1(CO)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595658451 438839999 /nfs/dbraw/zinc/83/99/99/438839999.db2.gz JLJYJUDYDXGRAT-BBRMVZONSA-N 0 3 340.376 0.808 20 5 ECBDHN C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)NCCN(C)C ZINC000588873931 438845189 /nfs/dbraw/zinc/84/51/89/438845189.db2.gz UAZMWJBJSHMVEQ-SECBINFHSA-N 0 3 348.363 0.267 20 5 ECBDHN CN1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](CN)C1 ZINC000515460893 438868885 /nfs/dbraw/zinc/86/88/85/438868885.db2.gz SNUCDJYCIQPAFU-LLVKDONJSA-N 0 3 347.379 0.255 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590444202 438925316 /nfs/dbraw/zinc/92/53/16/438925316.db2.gz MCTOYAOKWDYNCG-UKRRQHHQSA-N 0 3 346.387 0.796 20 5 ECBDHN COc1ccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000596179465 438936003 /nfs/dbraw/zinc/93/60/03/438936003.db2.gz QAAIKBUAAFDKQT-STQMWFEESA-N 0 3 338.364 0.420 20 5 ECBDHN C[C@@H](CS(C)(=O)=O)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566118233 439007753 /nfs/dbraw/zinc/00/77/53/439007753.db2.gz YKKRVXYKYIYKJB-WDEREUQCSA-N 0 3 332.378 0.357 20 5 ECBDHN CN1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@H](CN)C1 ZINC000579834833 439039440 /nfs/dbraw/zinc/03/94/40/439039440.db2.gz VXWNWDLNXFFTIU-CQSZACIVSA-N 0 3 344.375 0.495 20 5 ECBDHN CN(C)C[C@]1(O)CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000597575456 439130751 /nfs/dbraw/zinc/13/07/51/439130751.db2.gz XXMOKYUYLSMMDQ-OAHLLOKOSA-N 0 3 339.396 0.442 20 5 ECBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000592389828 439220010 /nfs/dbraw/zinc/22/00/10/439220010.db2.gz YRZDUADPFDFIIG-IUCAKERBSA-N 0 3 333.341 0.582 20 5 ECBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000568517093 439255664 /nfs/dbraw/zinc/25/56/64/439255664.db2.gz YTAWRIQXPKTPLH-ZDUSSCGKSA-N 0 3 342.421 0.475 20 5 ECBDHN CC1(OCC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CNC1 ZINC000592966269 439325788 /nfs/dbraw/zinc/32/57/88/439325788.db2.gz XNZZKUFAVXUHEC-NSHDSACASA-N 0 3 335.364 0.381 20 5 ECBDHN CN(C)CCN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593051600 439334352 /nfs/dbraw/zinc/33/43/52/439334352.db2.gz LKZXOJMGYXAMRW-UHFFFAOYSA-N 0 3 336.392 0.679 20 5 ECBDHN CN(C)CCN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1=O ZINC000593053036 439335871 /nfs/dbraw/zinc/33/58/71/439335871.db2.gz VXJWKNSIHFSYIP-UHFFFAOYSA-N 0 3 347.375 0.942 20 5 ECBDHN CN(C)CCOCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598613251 439288015 /nfs/dbraw/zinc/28/80/15/439288015.db2.gz IYQVYWJDNQGJBX-UHFFFAOYSA-N 0 3 340.384 0.212 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000592879498 439296401 /nfs/dbraw/zinc/29/64/01/439296401.db2.gz MFDGMSFADALXQK-SNVBAGLBSA-N 0 3 338.339 0.926 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC3(CCN(C)CC3)C2)n1 ZINC000592899905 439300601 /nfs/dbraw/zinc/30/06/01/439300601.db2.gz VOOXNWWQXUZGOU-UHFFFAOYSA-N 0 3 337.380 0.748 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(C)(C(N)=O)C1 ZINC000583202309 439431786 /nfs/dbraw/zinc/43/17/86/439431786.db2.gz UTTMGBWSRRQXMU-UHFFFAOYSA-N 0 3 336.348 0.739 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027001 439510104 /nfs/dbraw/zinc/51/01/04/439510104.db2.gz JKTWGGHNQMHENJ-LSDHHAIUSA-N 0 3 348.403 0.983 20 5 ECBDHN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594387563 439552188 /nfs/dbraw/zinc/55/21/88/439552188.db2.gz UINZRWPHTLFDEI-XUWVNRHRSA-N 0 3 331.372 0.976 20 5 ECBDHN NC[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000594452098 439563003 /nfs/dbraw/zinc/56/30/03/439563003.db2.gz YFHSEUYIKVSNIQ-SNVBAGLBSA-N 0 3 344.253 0.795 20 5 ECBDHN Cc1cc(OCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938653 439580486 /nfs/dbraw/zinc/58/04/86/439580486.db2.gz CSDVDJZDJWUCCC-KBPBESRZSA-N 0 3 349.387 0.950 20 5 ECBDHN N[C@H]1C[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000594694852 439592039 /nfs/dbraw/zinc/59/20/39/439592039.db2.gz WEVKCAAZWCNOAB-PWSUYJOCSA-N 0 3 328.332 0.286 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000594736414 439598894 /nfs/dbraw/zinc/59/88/94/439598894.db2.gz GBBXLHGQZSOBRF-VXGBXAGGSA-N 0 3 348.359 0.110 20 5 ECBDHN COCCN(C)CCN1C[C@H](Nc2ncccc2[N+](=O)[O-])CC1=O ZINC000594874550 439636377 /nfs/dbraw/zinc/63/63/77/439636377.db2.gz ZVFWEOGOCHGEPO-GFCCVEGCSA-N 0 3 337.380 0.581 20 5 ECBDHN CCc1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000573322479 439639899 /nfs/dbraw/zinc/63/98/99/439639899.db2.gz CELMBXZCOXDTFB-UHFFFAOYSA-N 0 3 345.363 0.937 20 5 ECBDHN CCN(CCN)C(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000600796497 439702061 /nfs/dbraw/zinc/70/20/61/439702061.db2.gz IKAUUWBITGRQHP-UHFFFAOYSA-N 0 3 334.376 0.893 20 5 ECBDHN C[C@H](CN1CCCC1=O)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574552258 439711653 /nfs/dbraw/zinc/71/16/53/439711653.db2.gz YSZBRMZAIYQCGG-CHWSQXEVSA-N 0 3 337.376 0.935 20 5 ECBDHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000595264395 439684479 /nfs/dbraw/zinc/68/44/79/439684479.db2.gz XGAQMDCBMAJOBE-LEWSCRJBSA-N 0 3 347.375 0.609 20 5 ECBDHN Cn1cc(CNCCc2nnnn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611314530 439690664 /nfs/dbraw/zinc/69/06/64/439690664.db2.gz AGSXTJFPHODIGS-UHFFFAOYSA-N 0 3 342.363 0.851 20 5 ECBDHN CC(C)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC1 ZINC000611395356 439695133 /nfs/dbraw/zinc/69/51/33/439695133.db2.gz HOTZQJPFMPBOIT-KBPBESRZSA-N 0 3 339.396 0.389 20 5 ECBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1COC[C@@H]1O ZINC000352799837 321372901 /nfs/dbraw/zinc/37/29/01/321372901.db2.gz MYPRFESLRQIYEH-OLZOCXBDSA-N 0 3 337.332 0.584 20 5 ECBDHN CC(=O)Nc1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577366194 322832963 /nfs/dbraw/zinc/83/29/63/322832963.db2.gz NQYRPFPEEJJDOW-AWEZNQCLSA-N 0 3 333.348 0.900 20 5 ECBDHN COc1ccc(NC(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000577931267 322850302 /nfs/dbraw/zinc/85/03/02/322850302.db2.gz ZVBAKQMKMAGMGY-KBPBESRZSA-N 0 3 338.364 0.149 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000619253657 546311299 /nfs/dbraw/zinc/31/12/99/546311299.db2.gz BNPOUOXHKRISQU-HNNXBMFYSA-N 0 3 339.396 0.405 20 5 ECBDHN C[NH+](C)C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000736759212 578449969 /nfs/dbraw/zinc/44/99/69/578449969.db2.gz QACPAUFGKDCJRV-NSHDSACASA-N 0 3 333.352 0.542 20 5 ECBDHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000783296296 578740943 /nfs/dbraw/zinc/74/09/43/578740943.db2.gz MNTFVRTWHGZZNM-SECBINFHSA-N 0 3 344.755 0.225 20 5 ECBDHN C[NH+](C)CCCOC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000792277544 578904711 /nfs/dbraw/zinc/90/47/11/578904711.db2.gz BAHIIVNYXGVJSP-UHFFFAOYSA-N 0 3 345.377 0.368 20 5 ECBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000762817126 579549016 /nfs/dbraw/zinc/54/90/16/579549016.db2.gz CXCWZBCZECQZRN-AWEZNQCLSA-N 0 3 338.320 0.608 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2COc3ccccc3[C@H]2O)c1 ZINC000843114698 589051394 /nfs/dbraw/zinc/05/13/94/589051394.db2.gz FRNAUPHNBFLZMV-OSAQELSMSA-N 0 3 334.332 0.236 20 5 ECBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)CN(C)C ZINC000805428250 586908663 /nfs/dbraw/zinc/90/86/63/586908663.db2.gz HZHWSIWEIBGCGS-JTQLQIEISA-N 0 3 339.348 0.861 20 5 ECBDHN CC(COC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)[N+](=O)[O-] ZINC000813109076 587248352 /nfs/dbraw/zinc/24/83/52/587248352.db2.gz DXGSGNXRLACHDB-GPCCPHFNSA-N 0 3 327.337 0.696 20 5 ECBDHN CC(COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)[N+](=O)[O-] ZINC000813108830 587248360 /nfs/dbraw/zinc/24/83/60/587248360.db2.gz MAVSIAVECDTNNC-AGIUHOORSA-N 0 3 326.349 0.636 20 5 ECBDHN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C2=O)cc1 ZINC000813114966 587248826 /nfs/dbraw/zinc/24/88/26/587248826.db2.gz YUSLSVAHZGFEFG-BDJLRTHQSA-N 0 3 349.343 0.970 20 5 ECBDHN COc1cccc(C[C@@H](C(=O)OCC(C)[N+](=O)[O-])n2nnnc2C)c1 ZINC000813113889 587248933 /nfs/dbraw/zinc/24/89/33/587248933.db2.gz VXIHSPTUCHPFGK-HZMBPMFUSA-N 0 3 349.347 0.982 20 5 ECBDHN CS(=O)(=O)N1CCC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818976632 587462947 /nfs/dbraw/zinc/46/29/47/587462947.db2.gz LHQVNRBUIWQAOO-GXTWGEPZSA-N 0 3 343.405 0.642 20 5 ECBDHN CCN(CC)C(=O)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000818974618 587463060 /nfs/dbraw/zinc/46/30/60/587463060.db2.gz CMYFGKYSUXDJAH-CYBMUJFWSA-N 0 3 325.365 0.793 20 5 ECBDHN CCS(=O)(=O)CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819010487 587464543 /nfs/dbraw/zinc/46/45/43/587464543.db2.gz FHVITSVFGUUUKX-UHFFFAOYSA-N 0 3 329.378 0.948 20 5 ECBDHN CC(C)(CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)NS(C)(=O)=O ZINC000819045936 587465685 /nfs/dbraw/zinc/46/56/85/587465685.db2.gz LCHYRGFFXZSXGI-GFCCVEGCSA-N 0 3 331.394 0.546 20 5 ECBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819208883 587472130 /nfs/dbraw/zinc/47/21/30/587472130.db2.gz STDYKXLDBFULDE-KKUMJFAQSA-N 0 3 337.376 0.854 20 5 ECBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CCc2ccccc21 ZINC000829338711 588322481 /nfs/dbraw/zinc/32/24/81/588322481.db2.gz YRXQUMVJFHOIRO-DOTOQJQBSA-N 0 3 346.387 0.918 20 5 ECBDHN CC(C)(CCC(=O)NCC(=O)NCCN1CCCCCC1)[N+](=O)[O-] ZINC000832830438 588507542 /nfs/dbraw/zinc/50/75/42/588507542.db2.gz IOPSHOIUMRXJJP-UHFFFAOYSA-N 0 3 342.440 0.930 20 5 ECBDHN CCOC(=O)Cc1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000848765911 589309845 /nfs/dbraw/zinc/30/98/45/589309845.db2.gz IJJXLPHMGAGORN-UONOGXRCSA-N 0 3 349.387 0.956 20 5 ECBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1NCC12CCOCC2 ZINC000852776917 589511599 /nfs/dbraw/zinc/51/15/99/589511599.db2.gz NTVSEGSISNKNBG-CQSZACIVSA-N 0 3 334.376 0.892 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000853834064 589561269 /nfs/dbraw/zinc/56/12/69/589561269.db2.gz RUCYGXSEJKBQEZ-UHFFFAOYSA-N 0 3 334.380 0.699 20 5 ECBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000857768704 589704228 /nfs/dbraw/zinc/70/42/28/589704228.db2.gz WGGJZTRHHHAUFT-SNVBAGLBSA-N 0 3 328.275 0.647 20 5 ECBDHN C[C@@H](NC[C@]12COCCN1C(=O)COC2)c1cccc([N+](=O)[O-])c1 ZINC000866556240 589750503 /nfs/dbraw/zinc/75/05/03/589750503.db2.gz QXUNTXXNAXELDY-MLGOLLRUSA-N 0 3 335.360 0.873 20 5 ECBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000867811247 589846782 /nfs/dbraw/zinc/84/67/82/589846782.db2.gz OFPOVTLKDPLLJJ-ZYHUDNBSSA-N 0 3 326.378 0.705 20 5 ECBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000861984321 589910329 /nfs/dbraw/zinc/91/03/29/589910329.db2.gz AWPREIZULFCKTC-UHFFFAOYSA-N 0 3 349.391 0.899 20 5 ECBDHN Cn1ncc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)n1 ZINC001020745940 752074152 /nfs/dbraw/zinc/07/41/52/752074152.db2.gz BCLJNQNRTKBOIW-HAQNSBGRSA-N 0 3 330.348 0.774 20 5 ECBDHN CN(Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)C(N)=O)CC1 ZINC001029990419 750424856 /nfs/dbraw/zinc/42/48/56/750424856.db2.gz QJTLDEJPFKCBJN-UHFFFAOYSA-N 0 3 334.376 0.751 20 5 ECBDHN Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]21 ZINC001060426692 766751634 /nfs/dbraw/zinc/75/16/34/766751634.db2.gz HSZZDCSZSYCYEI-HBYGRHMLSA-N 0 3 342.359 0.815 20 5 ECBDHN Cc1cnc(CN2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001045437476 775610921 /nfs/dbraw/zinc/61/09/21/775610921.db2.gz SWDDVMAMAQXBJL-ZIAGYGMSSA-N 0 3 333.392 0.921 20 5 ECBDHN CC(C)OCCN1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000354549203 299069721 /nfs/dbraw/zinc/06/97/21/299069721.db2.gz NMFZSEKVRRMILS-UHFFFAOYSA-N 0 3 340.384 0.192 20 5 ECBDHN O=C(NCC(=O)N1CCCNCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000428433756 210260943 /nfs/dbraw/zinc/26/09/43/210260943.db2.gz IPZMCOIHTKPIMG-UHFFFAOYSA-N 0 3 335.364 0.216 20 5 ECBDHN NC(=O)CCN(Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174709749 231285928 /nfs/dbraw/zinc/28/59/28/231285928.db2.gz UROVEEWJFGCLST-OAHLLOKOSA-N 0 3 347.375 0.530 20 5 ECBDHN COCC(C)(C)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000425511265 210065989 /nfs/dbraw/zinc/06/59/89/210065989.db2.gz WVWNVEWPALQRBS-UHFFFAOYSA-N 0 3 338.408 0.799 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000183594037 235154862 /nfs/dbraw/zinc/15/48/62/235154862.db2.gz DHEGARFDEHMNBU-CYBMUJFWSA-N 0 3 334.376 0.843 20 5 ECBDHN COc1c(F)cc(S(=O)(=O)[N-]CC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193388389 240141126 /nfs/dbraw/zinc/14/11/26/240141126.db2.gz QICOUFFJPRAPIP-UHFFFAOYSA-N 0 3 345.352 0.941 20 5 ECBDHN C[C@H]([NH3+])CCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262751934 245159110 /nfs/dbraw/zinc/15/91/10/245159110.db2.gz GVBHUOZDYBBLAS-JTQLQIEISA-N 0 3 344.393 0.117 20 5 ECBDHN Cc1nn(CCC(=O)N[C@H]2CNCCC2(F)F)c(C)c1[N+](=O)[O-] ZINC000449659484 211289016 /nfs/dbraw/zinc/28/90/16/211289016.db2.gz DCEORWGUODUBAH-JTQLQIEISA-N 0 3 331.323 0.912 20 5 ECBDHN CN1CCNC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000420262099 209346741 /nfs/dbraw/zinc/34/67/41/209346741.db2.gz ABWSQORMNVOQIP-LLVKDONJSA-N 0 3 328.394 0.314 20 5 ECBDHN COCCNCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420441843 209367283 /nfs/dbraw/zinc/36/72/83/209367283.db2.gz WHPOXWHGNAMEFY-UHFFFAOYSA-N 0 3 331.394 0.293 20 5 ECBDHN C[C@H](CN)N(C)C(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419163680 209007646 /nfs/dbraw/zinc/00/76/46/209007646.db2.gz KIEYIONLJSWMBJ-MRVPVSSYSA-N 0 3 328.756 0.670 20 5 ECBDHN CN(C)CCOCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000336861497 297167425 /nfs/dbraw/zinc/16/74/25/297167425.db2.gz BKKCEINYVJTMQI-UHFFFAOYSA-N 0 3 331.394 0.988 20 5 ECBDHN CNC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248461957 165178883 /nfs/dbraw/zinc/17/88/83/165178883.db2.gz PLYWAYMVIWOINA-CHWSQXEVSA-N 0 3 337.376 0.793 20 5 ECBDHN O=C1NC(=O)C2(CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)N1 ZINC000270500674 263246469 /nfs/dbraw/zinc/24/64/69/263246469.db2.gz HWHRMKOSXZONSA-UHFFFAOYSA-N 0 3 334.332 0.648 20 5 ECBDHN CS[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCCC1 ZINC000275094687 263549671 /nfs/dbraw/zinc/54/96/71/263549671.db2.gz IVJANPKVKVJNQD-CHWSQXEVSA-N 0 3 339.421 0.830 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1N(C)C ZINC000330817374 437622487 /nfs/dbraw/zinc/62/24/87/437622487.db2.gz CENDEBDJCKUSDN-GHMZBOCLSA-N 0 3 325.394 0.690 20 5 ECBDHN Cc1n[nH]c(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)c1[N+](=O)[O-] ZINC000339530013 297356583 /nfs/dbraw/zinc/35/65/83/297356583.db2.gz XGFJGLUCFCWJCP-UHFFFAOYSA-N 0 3 334.336 0.602 20 5 ECBDHN C[C@@H]1OCC[C@H]1N(CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361588427 300109009 /nfs/dbraw/zinc/10/90/09/300109009.db2.gz RSBFUKOIYUVQJX-DUVNUKRYSA-N 0 3 340.376 0.806 20 5 ECBDHN CN1CCC[C@@H](N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000363639009 300282550 /nfs/dbraw/zinc/28/25/50/300282550.db2.gz VBFVGSARVDRAHC-CYBMUJFWSA-N 0 3 336.396 0.030 20 5 ECBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NCCCN1CCc2ccccc2C1 ZINC000048321531 436449116 /nfs/dbraw/zinc/44/91/16/436449116.db2.gz JPZGLWUYSQIFEC-UHFFFAOYSA-N 0 3 344.375 0.751 20 5 ECBDHN C[C@@H]1CN(CCN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000195311087 436687551 /nfs/dbraw/zinc/68/75/51/436687551.db2.gz FCYLWOCKOWEGMG-GUTXKFCHSA-N 0 3 341.412 0.193 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272186930 436707177 /nfs/dbraw/zinc/70/71/77/436707177.db2.gz DZHJEXPBKRSUGS-CYBMUJFWSA-N 0 3 339.377 0.642 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(c2ccncc2)CC1 ZINC000065836571 436673135 /nfs/dbraw/zinc/67/31/35/436673135.db2.gz FTJFNZWFOLUWCF-UHFFFAOYSA-N 0 3 330.348 0.844 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237445902 436736438 /nfs/dbraw/zinc/73/64/38/436736438.db2.gz FKXSESZSTZKHRA-GRYCIOLGSA-N 0 3 334.376 0.922 20 5 ECBDHN CN1CC=C(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000273925500 436788060 /nfs/dbraw/zinc/78/80/60/436788060.db2.gz JYXCISBUOHEBPC-UHFFFAOYSA-N 0 3 326.378 0.916 20 5 ECBDHN COc1ccc(NC(=O)CCN2C[C@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000274589338 436848181 /nfs/dbraw/zinc/84/81/81/436848181.db2.gz HHDWZKFNEOISNO-WDEREUQCSA-N 0 3 339.348 0.360 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000162486336 436908221 /nfs/dbraw/zinc/90/82/21/436908221.db2.gz WPDMJGPWBSYOLG-AWEZNQCLSA-N 0 3 336.396 0.030 20 5 ECBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CC(N)=O)c1ccccc1 ZINC000280638136 436910266 /nfs/dbraw/zinc/91/02/66/436910266.db2.gz XYVKOUGHJQNWQK-HUUCEWRRSA-N 0 3 347.375 0.701 20 5 ECBDHN CN(C)C[C@@H]1CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000263920293 437002115 /nfs/dbraw/zinc/00/21/15/437002115.db2.gz RGQPGPGZWHGFEI-AWEZNQCLSA-N 0 3 334.376 0.877 20 5 ECBDHN CCN1CCN(CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298475114 437039801 /nfs/dbraw/zinc/03/98/01/437039801.db2.gz RQEALQYZINNYIS-UHFFFAOYSA-N 0 3 336.396 0.528 20 5 ECBDHN CN(CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1 ZINC000299388035 437073706 /nfs/dbraw/zinc/07/37/06/437073706.db2.gz QUUVRPYRNIWPTC-UHFFFAOYSA-N 0 3 346.343 0.401 20 5 ECBDHN Cc1n[nH]c(C(=O)N2CCC(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000299434427 437077559 /nfs/dbraw/zinc/07/75/59/437077559.db2.gz GQBODUHKPBTGAW-UHFFFAOYSA-N 0 3 337.380 0.811 20 5 ECBDHN Cc1[nH]nc(C(=O)N2CCC(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000299434427 437077561 /nfs/dbraw/zinc/07/75/61/437077561.db2.gz GQBODUHKPBTGAW-UHFFFAOYSA-N 0 3 337.380 0.811 20 5 ECBDHN Cn1ccnc1C[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305695894 437162134 /nfs/dbraw/zinc/16/21/34/437162134.db2.gz RWHZIGKHXSBAMQ-UKRRQHHQSA-N 0 3 348.407 0.840 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@](O)(C(N)=O)C1 ZINC000276494033 437115554 /nfs/dbraw/zinc/11/55/54/437115554.db2.gz WATPCVRXCNQHKH-OAHLLOKOSA-N 0 3 336.348 0.154 20 5 ECBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O)C1CC1 ZINC000312731843 437173104 /nfs/dbraw/zinc/17/31/04/437173104.db2.gz STEBHRJFYJLKQN-SNVBAGLBSA-N 0 3 346.181 0.974 20 5 ECBDHN CC(C)OCCN1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000267026374 437282022 /nfs/dbraw/zinc/28/20/22/437282022.db2.gz XQGYOWQXSHEGDZ-UHFFFAOYSA-N 0 3 339.396 0.797 20 5 ECBDHN CN(C)CCn1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])n1 ZINC000338647819 437412179 /nfs/dbraw/zinc/41/21/79/437412179.db2.gz HDIVSFJKLXZXRZ-UHFFFAOYSA-N 0 3 333.348 1.370 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]C[C@H]2CCC[N@H+](CC)C2)c([N+](=O)[O-])n1 ZINC000330459418 437516854 /nfs/dbraw/zinc/51/68/54/437516854.db2.gz UDCAPLDNQWKFRZ-LLVKDONJSA-N 0 3 345.425 0.821 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]C[C@H]2CCC[N@@H+](CC)C2)c([N+](=O)[O-])n1 ZINC000330459418 437516857 /nfs/dbraw/zinc/51/68/57/437516857.db2.gz UDCAPLDNQWKFRZ-LLVKDONJSA-N 0 3 345.425 0.821 20 5 ECBDHN CCn1cc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)c([N+](=O)[O-])n1 ZINC000330455988 437517721 /nfs/dbraw/zinc/51/77/21/437517721.db2.gz OQZAKESSIROMCO-JTQLQIEISA-N 0 3 331.398 0.383 20 5 ECBDHN CCCN(CCN1CCN(CC)CC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000341054531 437784850 /nfs/dbraw/zinc/78/48/50/437784850.db2.gz SGKDFTQHJRUOLU-UHFFFAOYSA-N 0 3 337.428 0.821 20 5 ECBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415857419 437871590 /nfs/dbraw/zinc/87/15/90/437871590.db2.gz CECPCTLFOPFEAG-GFCCVEGCSA-N 0 3 336.348 0.200 20 5 ECBDHN CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000373098408 438129787 /nfs/dbraw/zinc/12/97/87/438129787.db2.gz JFHASZZSLWVSTO-GFCCVEGCSA-N 0 3 349.391 0.594 20 5 ECBDHN CN1CCC([N@H+]2CC[C@@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000373098408 438129789 /nfs/dbraw/zinc/12/97/89/438129789.db2.gz JFHASZZSLWVSTO-GFCCVEGCSA-N 0 3 349.391 0.594 20 5 ECBDHN C[NH+]1CCC(N2CC[C@@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000373098408 438129793 /nfs/dbraw/zinc/12/97/93/438129793.db2.gz JFHASZZSLWVSTO-GFCCVEGCSA-N 0 3 349.391 0.594 20 5 ECBDHN COc1cc(OCC(=O)NC[C@@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000358061761 438136866 /nfs/dbraw/zinc/13/68/66/438136866.db2.gz HCYOXYWQNZOTJH-HNNXBMFYSA-N 0 3 339.348 0.165 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000358070072 438142573 /nfs/dbraw/zinc/14/25/73/438142573.db2.gz UGZALCBGTUYEEH-CQSZACIVSA-N 0 3 325.390 0.870 20 5 ECBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000374829934 438232231 /nfs/dbraw/zinc/23/22/31/438232231.db2.gz PVELPOWZSUUFBO-VHSXEESVSA-N 0 3 338.339 0.909 20 5 ECBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000351499578 438272260 /nfs/dbraw/zinc/27/22/60/438272260.db2.gz DSOCNSQJLBUXDP-LBPRGKRZSA-N 0 3 336.323 0.979 20 5 ECBDHN CC(C)(O)CN1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000368711620 438371570 /nfs/dbraw/zinc/37/15/70/438371570.db2.gz GNXRLMNEQDOSHA-UHFFFAOYSA-N 0 3 336.392 0.977 20 5 ECBDHN COC(=O)CC[C@@H](N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000576461737 438784515 /nfs/dbraw/zinc/78/45/15/438784515.db2.gz ILNJESYVEPCNTH-GFCCVEGCSA-N 0 3 325.321 0.370 20 5 ECBDHN CCO[C@@H]1C[C@](N)(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000577103961 438813431 /nfs/dbraw/zinc/81/34/31/438813431.db2.gz GSDYNWVRGFXPRE-RISCZKNCSA-N 0 3 325.369 0.440 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000588866233 438845594 /nfs/dbraw/zinc/84/55/94/438845594.db2.gz IPBOYPBLRVUQPB-NSHDSACASA-N 0 3 333.348 0.433 20 5 ECBDHN CN1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](CN)C1 ZINC000515460894 438869545 /nfs/dbraw/zinc/86/95/45/438869545.db2.gz SNUCDJYCIQPAFU-NSHDSACASA-N 0 3 347.379 0.255 20 5 ECBDHN CS(=O)(=O)c1cc(C(=O)N2CC3CC2(CN)C3)cc([N+](=O)[O-])c1 ZINC000595941939 438892372 /nfs/dbraw/zinc/89/23/72/438892372.db2.gz DWVHUKLJBFAPGK-UHFFFAOYSA-N 0 3 339.373 0.562 20 5 ECBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000590402415 438918501 /nfs/dbraw/zinc/91/85/01/438918501.db2.gz TUAKHAIBMJYVSS-KBPBESRZSA-N 0 3 337.380 0.503 20 5 ECBDHN N[C@H]1C[C@@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000578453652 438925714 /nfs/dbraw/zinc/92/57/14/438925714.db2.gz AQMJHEQIZNHCAG-SCZZXKLOSA-N 0 3 338.751 0.632 20 5 ECBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1CC(C)(C)O ZINC000596223469 438943926 /nfs/dbraw/zinc/94/39/26/438943926.db2.gz QZNDLOSXSRBESQ-NSHDSACASA-N 0 3 336.392 0.975 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000590564015 438932595 /nfs/dbraw/zinc/93/25/95/438932595.db2.gz BSXKNDJKDYPTGY-QWHCGFSZSA-N 0 3 337.380 0.421 20 5 ECBDHN N[C@H]1C[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000565238832 438935571 /nfs/dbraw/zinc/93/55/71/438935571.db2.gz IHIQQXIABPKGTO-RYUDHWBXSA-N 0 3 347.375 0.167 20 5 ECBDHN CN1C[C@@H]2CCCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000596282331 438951845 /nfs/dbraw/zinc/95/18/45/438951845.db2.gz VZCVJASRLZWERJ-GXFFZTMASA-N 0 3 340.405 0.773 20 5 ECBDHN NC(=O)Cn1cc(CNCCCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000459430039 438965676 /nfs/dbraw/zinc/96/56/76/438965676.db2.gz QXGKRAHNLIBFLC-UHFFFAOYSA-N 0 3 332.364 0.784 20 5 ECBDHN COCCN1CC[C@@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000517403912 438966052 /nfs/dbraw/zinc/96/60/52/438966052.db2.gz JJEUDYULPOCPNW-CYBMUJFWSA-N 0 3 337.376 0.983 20 5 ECBDHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000579142463 438985571 /nfs/dbraw/zinc/98/55/71/438985571.db2.gz PDUJZGFGRXEDBT-LOWVWBTDSA-N 0 3 347.375 0.609 20 5 ECBDHN O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000601980102 438996040 /nfs/dbraw/zinc/99/60/40/438996040.db2.gz DZNDSPPJNWUHMZ-TXEJJXNPSA-N 0 3 334.380 0.552 20 5 ECBDHN CC(C)NC(=O)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566105976 439007926 /nfs/dbraw/zinc/00/79/26/439007926.db2.gz CWRAUQOSRZZSEL-GFCCVEGCSA-N 0 3 325.365 0.839 20 5 ECBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000591686227 439061210 /nfs/dbraw/zinc/06/12/10/439061210.db2.gz WIXKNRGVTPQEEI-IUCAKERBSA-N 0 3 325.296 0.796 20 5 ECBDHN CC(C)(C(=O)NC[C@]1(O)CN2CCC1CC2)n1cc([N+](=O)[O-])cn1 ZINC000519832106 439066651 /nfs/dbraw/zinc/06/66/51/439066651.db2.gz FWBSVOTWYPWFOC-HNNXBMFYSA-N 0 3 337.380 0.099 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](CO)[C@@H](O)C1 ZINC000566761044 439085763 /nfs/dbraw/zinc/08/57/63/439085763.db2.gz CEDWGOMBHBZVOI-DOMZBBRYSA-N 0 3 337.376 0.907 20 5 ECBDHN CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000602873259 439150487 /nfs/dbraw/zinc/15/04/87/439150487.db2.gz IFYBQYYCDACHKW-ZIAGYGMSSA-N 0 3 325.413 0.814 20 5 ECBDHN CCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597943986 439201361 /nfs/dbraw/zinc/20/13/61/439201361.db2.gz BJFZAYQQUBZYPX-CQSZACIVSA-N 0 3 334.376 0.877 20 5 ECBDHN O=C(CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCNCC1 ZINC000581878610 439259169 /nfs/dbraw/zinc/25/91/69/439259169.db2.gz SINDLFOWYHRZDJ-STQMWFEESA-N 0 3 336.396 0.296 20 5 ECBDHN CC(C)N1CC[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000582416142 439331363 /nfs/dbraw/zinc/33/13/63/439331363.db2.gz XMVRSMIQUZQNLW-ZFWWWQNUSA-N 0 3 337.376 0.933 20 5 ECBDHN CN(C)CCN1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1=O ZINC000593301956 439362906 /nfs/dbraw/zinc/36/29/06/439362906.db2.gz OEWYOTJPKFNYGN-UHFFFAOYSA-N 0 3 349.391 0.510 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCCOc2ncccc2F)c1 ZINC000582660497 439363199 /nfs/dbraw/zinc/36/31/99/439363199.db2.gz DSKXRPCRRQHULU-NSHDSACASA-N 0 3 325.300 0.355 20 5 ECBDHN COCCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593101675 439343453 /nfs/dbraw/zinc/34/34/53/439343453.db2.gz RFVACACHJLRDTQ-CQSZACIVSA-N 0 3 341.412 0.195 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000569943151 439377489 /nfs/dbraw/zinc/37/74/89/439377489.db2.gz VSUFOHGRTOQECM-ZIAGYGMSSA-N 0 3 347.375 0.091 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)n1 ZINC000599312907 439428548 /nfs/dbraw/zinc/42/85/48/439428548.db2.gz YTOSRNHGTFVQRY-GFCCVEGCSA-N 0 3 329.382 0.045 20 5 ECBDHN CCOC(=O)C[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599387774 439452118 /nfs/dbraw/zinc/45/21/18/439452118.db2.gz RNKUPAXHDGEWGO-GFCCVEGCSA-N 0 3 326.353 0.742 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1=O ZINC000593784668 439466428 /nfs/dbraw/zinc/46/64/28/439466428.db2.gz UIGOGZSTUVMQDY-UHFFFAOYSA-N 0 3 335.364 0.023 20 5 ECBDHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000583576067 439485063 /nfs/dbraw/zinc/48/50/63/439485063.db2.gz BQXUVNFLVQBPFR-ZLKJLUDKSA-N 0 3 347.375 0.609 20 5 ECBDHN CC(=O)NC[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599705612 439540318 /nfs/dbraw/zinc/54/03/18/439540318.db2.gz XQXKEVLCQCXFGK-TZMCWYRMSA-N 0 3 325.369 0.143 20 5 ECBDHN Cn1c(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000608861429 439548469 /nfs/dbraw/zinc/54/84/69/439548469.db2.gz VKHHXOTUCVXXEE-LBPRGKRZSA-N 0 3 349.391 0.488 20 5 ECBDHN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000609306887 439563378 /nfs/dbraw/zinc/56/33/78/439563378.db2.gz IOORVTAFEGLVDD-GFCCVEGCSA-N 0 3 335.364 0.477 20 5 ECBDHN NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000609306887 439563382 /nfs/dbraw/zinc/56/33/82/439563382.db2.gz IOORVTAFEGLVDD-GFCCVEGCSA-N 0 3 335.364 0.477 20 5 ECBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000609306887 439563383 /nfs/dbraw/zinc/56/33/83/439563383.db2.gz IOORVTAFEGLVDD-GFCCVEGCSA-N 0 3 335.364 0.477 20 5 ECBDHN COc1ccc(CC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599938343 439579199 /nfs/dbraw/zinc/57/91/99/439579199.db2.gz NTPLBMYTKIDXEV-UONOGXRCSA-N 0 3 349.387 0.813 20 5 ECBDHN COc1cc(CN2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000594613704 439582079 /nfs/dbraw/zinc/58/20/79/439582079.db2.gz QWBJDAXEMKXNIB-QWHCGFSZSA-N 0 3 337.376 0.863 20 5 ECBDHN Cc1n[nH]c(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000609664905 439583423 /nfs/dbraw/zinc/58/34/23/439583423.db2.gz MPJBIYJEQBRXSG-LBPRGKRZSA-N 0 3 336.396 0.478 20 5 ECBDHN Cc1[nH]nc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000609664905 439583426 /nfs/dbraw/zinc/58/34/26/439583426.db2.gz MPJBIYJEQBRXSG-LBPRGKRZSA-N 0 3 336.396 0.478 20 5 ECBDHN N[C@H]1C[C@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)CCN2C1=O ZINC000594702741 439593200 /nfs/dbraw/zinc/59/32/00/439593200.db2.gz WHEZWDGYJJQXKX-AAEUAGOBSA-N 0 3 327.344 0.891 20 5 ECBDHN COCCNCCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000573387349 439644623 /nfs/dbraw/zinc/64/46/23/439644623.db2.gz IVWOFZVLULZEHC-UHFFFAOYSA-N 0 3 331.394 0.726 20 5 ECBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000610968125 439661704 /nfs/dbraw/zinc/66/17/04/439661704.db2.gz OWGUGQKWTGFBDP-UHFFFAOYSA-N 0 3 343.343 0.500 20 5 ECBDHN CN1CCN([C@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC000586807732 439662331 /nfs/dbraw/zinc/66/23/31/439662331.db2.gz WRSUSECEHCRLCU-TXEJJXNPSA-N 0 3 336.396 0.606 20 5 ECBDHN Nc1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587862284 439669972 /nfs/dbraw/zinc/66/99/72/439669972.db2.gz VGSWCTPXLQOQIS-LSDHHAIUSA-N 0 3 336.392 0.705 20 5 ECBDHN CN(C)CCNC(=O)c1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000611200356 439679993 /nfs/dbraw/zinc/67/99/93/439679993.db2.gz WMTBPJSIGCNCRE-UHFFFAOYSA-N 0 3 346.347 0.862 20 5 ECBDHN CC(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)NCCN(C)C ZINC000340102653 321016664 /nfs/dbraw/zinc/01/66/64/321016664.db2.gz PYTLBUPMDBLXRL-CYBMUJFWSA-N 0 3 339.396 0.745 20 5 ECBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000344724573 321161356 /nfs/dbraw/zinc/16/13/56/321161356.db2.gz TXVIDKPMGJKSAV-CYBMUJFWSA-N 0 3 336.392 0.993 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1COC[C@H]1O ZINC000352801784 321373238 /nfs/dbraw/zinc/37/32/38/321373238.db2.gz KMNBAKNUZUYWCI-QWHCGFSZSA-N 0 3 339.348 0.624 20 5 ECBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[C@H]1N1CCN(C)CC1 ZINC000354377488 321471708 /nfs/dbraw/zinc/47/17/08/321471708.db2.gz CBSMPKAHMWZHKY-DGCLKSJQSA-N 0 3 336.396 0.416 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000545885189 322111459 /nfs/dbraw/zinc/11/14/59/322111459.db2.gz PQNJVLHXLCUILC-HNNXBMFYSA-N 0 3 338.364 0.339 20 5 ECBDHN COCCN(CCN(C)C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000557126964 322204571 /nfs/dbraw/zinc/20/45/71/322204571.db2.gz LLBXYLMICOVAPV-UHFFFAOYSA-N 0 3 327.385 0.563 20 5 ECBDHN C[S@](=O)C1(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000563002973 322292407 /nfs/dbraw/zinc/29/24/07/322292407.db2.gz MGZOHQLQOKZSBJ-SAHAZLINSA-N 0 3 328.390 0.835 20 5 ECBDHN CN1C(=O)CC[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000564855611 322400432 /nfs/dbraw/zinc/40/04/32/322400432.db2.gz CYFIDUPTYJOQOK-YPMHNXCESA-N 0 3 337.332 0.072 20 5 ECBDHN C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)NCCN(C)C ZINC000571225357 322714354 /nfs/dbraw/zinc/71/43/54/322714354.db2.gz YWCVUEXDXRAWGE-JTQLQIEISA-N 0 3 347.375 0.872 20 5 ECBDHN CN1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@H](CN)C1 ZINC000572600162 322747545 /nfs/dbraw/zinc/74/75/45/322747545.db2.gz CTWGGCREAUWQJB-GFCCVEGCSA-N 0 3 344.375 0.495 20 5 ECBDHN C[C@H]1CS(=O)(=O)C[C@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577385590 322833730 /nfs/dbraw/zinc/83/37/30/322833730.db2.gz NIBLIMSGYVBJNU-SDDRHHMPSA-N 0 3 344.389 0.357 20 5 ECBDHN COc1ccc(CC(=O)NC[C@@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000579492061 322898636 /nfs/dbraw/zinc/89/86/36/322898636.db2.gz UOBCEPBPLZLMPP-QGZVFWFLSA-N 0 3 349.387 0.719 20 5 ECBDHN NC(=O)C[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181940050 534361143 /nfs/dbraw/zinc/36/11/43/534361143.db2.gz HBRAQHCPSXDJSP-CHWSQXEVSA-N 0 3 337.376 0.922 20 5 ECBDHN CNC(=O)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000025755603 545660786 /nfs/dbraw/zinc/66/07/86/545660786.db2.gz LBOYSYPDEVCYAP-CQSZACIVSA-N 0 3 337.376 0.793 20 5 ECBDHN CC(COC(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1)[N+](=O)[O-] ZINC000838963506 586831504 /nfs/dbraw/zinc/83/15/04/586831504.db2.gz BHQFIGBTMZRRPU-ZJUUUORDSA-N 0 3 329.330 0.820 20 5 ECBDHN O=C(CCN1CC[C@@H](CO)[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000808750489 587160895 /nfs/dbraw/zinc/16/08/95/587160895.db2.gz KQMSCKWUNKBFNQ-HZMBPMFUSA-N 0 3 341.339 0.738 20 5 ECBDHN CCS(=O)(=O)NCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813104562 587248194 /nfs/dbraw/zinc/24/81/94/587248194.db2.gz ONYSODIMVXTCPV-SNVBAGLBSA-N 0 3 330.362 0.948 20 5 ECBDHN Cc1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c(N)c([N+](=O)[O-])c1 ZINC000818294076 587421315 /nfs/dbraw/zinc/42/13/15/587421315.db2.gz ODTBEXYKMVUWTR-QWHCGFSZSA-N 0 3 344.375 0.786 20 5 ECBDHN COCCN1CCC[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825709178 587957189 /nfs/dbraw/zinc/95/71/89/587957189.db2.gz QOYGJRIQIAJXKP-HUUCEWRRSA-N 0 3 337.376 0.855 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000854466145 589587850 /nfs/dbraw/zinc/58/78/50/589587850.db2.gz XAFZTVFYRYWLMQ-SECBINFHSA-N 0 3 333.747 0.969 20 5 ECBDHN CN1CCN(CC2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000854644094 589597648 /nfs/dbraw/zinc/59/76/48/589597648.db2.gz DYZNRTKWLPPVJO-MRXNPFEDSA-N 0 3 348.403 0.334 20 5 ECBDHN CN(C)CCONC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000854947215 589614166 /nfs/dbraw/zinc/61/41/66/589614166.db2.gz LGQJQDKVKMTFDZ-UHFFFAOYSA-N 0 3 331.350 0.221 20 5 ECBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000867811246 589846824 /nfs/dbraw/zinc/84/68/24/589846824.db2.gz OFPOVTLKDPLLJJ-PWSUYJOCSA-N 0 3 326.378 0.705 20 5 ECBDHN Cc1ccc(CNC[C@@]23COCCN2C(=O)COC3)cc1[N+](=O)[O-] ZINC000865800568 590158698 /nfs/dbraw/zinc/15/86/98/590158698.db2.gz KLGKQLAYJVQJIX-INIZCTEOSA-N 0 3 335.360 0.621 20 5 ECBDHN COCCN(CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000879709381 590336210 /nfs/dbraw/zinc/33/62/10/590336210.db2.gz HFMTWXUAOWLPIS-UHFFFAOYSA-N 0 3 325.365 0.884 20 5 ECBDHN CN(C)CCNC(=O)C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886060309 590788647 /nfs/dbraw/zinc/78/86/47/590788647.db2.gz ZIKIINXVECFPAN-UHFFFAOYSA-N 0 3 335.408 0.880 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000935446190 611371954 /nfs/dbraw/zinc/37/19/54/611371954.db2.gz LZEDIYURWUALBY-GFCCVEGCSA-N 0 3 338.412 0.242 20 5 ECBDHN CN1CCC(N(CCO)C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000911934921 609923727 /nfs/dbraw/zinc/92/37/27/609923727.db2.gz KKNJUKFIAYVGBI-UHFFFAOYSA-N 0 3 337.376 0.889 20 5 ECBDHN CN(CCO)CCN(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000912607991 609977224 /nfs/dbraw/zinc/97/72/24/609977224.db2.gz BJARPHLFPAESIP-UHFFFAOYSA-N 0 3 334.376 0.932 20 5 ECBDHN Cc1cc(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)n[nH]1 ZINC000944934659 610849721 /nfs/dbraw/zinc/84/97/21/610849721.db2.gz TVRHDFUUAAZPDX-DGCLKSJQSA-N 0 3 347.375 0.448 20 5 ECBDHN O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)N1CCNCC1)C2 ZINC000923631048 611332670 /nfs/dbraw/zinc/33/26/70/611332670.db2.gz GUSMMGCQBIBGBH-UHFFFAOYSA-N 0 3 326.378 0.103 20 5 ECBDHN Cc1nccn1CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956372963 612860595 /nfs/dbraw/zinc/86/05/95/612860595.db2.gz WBJVCXQUSDYSPG-CHWSQXEVSA-N 0 3 349.391 0.354 20 5 ECBDHN COc1cc(CN2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001001401039 746342087 /nfs/dbraw/zinc/34/20/87/746342087.db2.gz XMDQKWDIHHHYIR-CHWSQXEVSA-N 0 3 338.364 0.677 20 5 ECBDHN Cc1cnc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nc1 ZINC000985426160 747981438 /nfs/dbraw/zinc/98/14/38/747981438.db2.gz MAKKKAJQJGBWSN-ZIAGYGMSSA-N 0 3 333.392 0.873 20 5 ECBDHN O=C(N[C@H]1C[C@@H](NCc2nnc3n2CCCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063701 758226307 /nfs/dbraw/zinc/22/63/07/758226307.db2.gz IBCKQKQMJSWWIU-WRWGMCAJSA-N 0 3 334.380 0.016 20 5 ECBDHN Cc1cc(C(=O)N2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n[nH]1 ZINC001017440503 767991075 /nfs/dbraw/zinc/99/10/75/767991075.db2.gz IUHBNTKOTFMENV-DGCLKSJQSA-N 0 3 333.348 0.272 20 5 ECBDHN NC(=O)CC(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048732761 761067804 /nfs/dbraw/zinc/06/78/04/761067804.db2.gz NRDKBNBOYZEAOE-BETUJISGSA-N 0 3 332.360 0.360 20 5 ECBDHN NC[C@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000420066161 209296174 /nfs/dbraw/zinc/29/61/74/209296174.db2.gz QQHYTXTXRJHBSP-HNNXBMFYSA-N 0 3 346.387 0.939 20 5 ECBDHN CNc1nc(C(=O)NC[C@@](C)(O)CCN(C)C)ccc1[N+](=O)[O-] ZINC000419984993 209269416 /nfs/dbraw/zinc/26/94/16/209269416.db2.gz VMVYKRCPDOXPHF-AWEZNQCLSA-N 0 3 325.369 0.464 20 5 ECBDHN Cc1noc([C@@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000266517520 248341096 /nfs/dbraw/zinc/34/10/96/248341096.db2.gz HCMKVJWISWZVMN-DGCLKSJQSA-N 0 3 336.352 0.723 20 5 ECBDHN COCCN(C)CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000411906900 208161511 /nfs/dbraw/zinc/16/15/11/208161511.db2.gz OLQIWNSCHJPIJQ-UHFFFAOYSA-N 0 3 343.355 0.979 20 5 ECBDHN CN(C)CCOCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000471641992 254815236 /nfs/dbraw/zinc/81/52/36/254815236.db2.gz IBIYDPCHHRMQLS-UHFFFAOYSA-N 0 3 345.421 0.635 20 5 ECBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000119613750 296643459 /nfs/dbraw/zinc/64/34/59/296643459.db2.gz SBAJHXZYUIKCQX-LLVKDONJSA-N 0 3 325.369 0.511 20 5 ECBDHN CNC(=O)[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247585692 165165370 /nfs/dbraw/zinc/16/53/70/165165370.db2.gz MGOXWVQYJYEIPI-GXTWGEPZSA-N 0 3 337.376 0.793 20 5 ECBDHN CCN(CCO)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000183980586 263158037 /nfs/dbraw/zinc/15/80/37/263158037.db2.gz GNEPWNGHPCYGAS-UHFFFAOYSA-N 0 3 347.375 0.825 20 5 ECBDHN COC(=O)c1cc(C(=O)NC[C@@](C)(O)CN(C)C)cc([N+](=O)[O-])c1 ZINC000269920835 263212518 /nfs/dbraw/zinc/21/25/18/263212518.db2.gz PYAKCSFAIHSQCY-OAHLLOKOSA-N 0 3 339.348 0.424 20 5 ECBDHN CS[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1N(C)C ZINC000270547058 263251033 /nfs/dbraw/zinc/25/10/33/263251033.db2.gz YXAUKDKOSRDUTL-GHMZBOCLSA-N 0 3 327.410 0.604 20 5 ECBDHN CN1CCC[C@H](N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000364884732 300397004 /nfs/dbraw/zinc/39/70/04/300397004.db2.gz DTEUAEIQPXSZEH-AWEZNQCLSA-N 0 3 347.419 0.910 20 5 ECBDHN Cc1cnn(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000369825794 300772107 /nfs/dbraw/zinc/77/21/07/300772107.db2.gz KXKGMLNCWHLMEG-HNNXBMFYSA-N 0 3 334.380 0.994 20 5 ECBDHN CN(C)CCN1C[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000073848734 436094187 /nfs/dbraw/zinc/09/41/87/436094187.db2.gz NCPVJUVFHIFLAB-LBPRGKRZSA-N 0 3 346.387 0.894 20 5 ECBDHN CN1CC[NH2+]C[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000394106660 301453021 /nfs/dbraw/zinc/45/30/21/301453021.db2.gz ZKYUYDPSLUQDHQ-SNVBAGLBSA-N 0 3 348.812 0.430 20 5 ECBDHN CCOC(=O)C1(C)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000092836973 436476670 /nfs/dbraw/zinc/47/66/70/436476670.db2.gz CACUMNJFTLAGFO-ZDUSSCGKSA-N 0 3 340.380 0.817 20 5 ECBDHN CN1CCC[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109093990 436622144 /nfs/dbraw/zinc/62/21/44/436622144.db2.gz ZLFOBBKZTXEIJC-CYBMUJFWSA-N 0 3 330.348 1.000 20 5 ECBDHN C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000114379491 436640298 /nfs/dbraw/zinc/64/02/98/436640298.db2.gz OCXGCCYRJVXNFT-LBPRGKRZSA-N 0 3 335.408 0.790 20 5 ECBDHN CS[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1N(C)C ZINC000272101146 436704322 /nfs/dbraw/zinc/70/43/22/436704322.db2.gz ZOXBLRJQYJXQII-CHWSQXEVSA-N 0 3 326.422 0.734 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152653706 436736108 /nfs/dbraw/zinc/73/61/08/436736108.db2.gz VTPGHKFZSDLNAJ-INIZCTEOSA-N 0 3 347.375 0.823 20 5 ECBDHN COCCN1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000069502460 436777222 /nfs/dbraw/zinc/77/72/22/436777222.db2.gz VCQLXXDUNPNMAL-LBPRGKRZSA-N 0 3 325.369 0.327 20 5 ECBDHN C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000069534305 436779498 /nfs/dbraw/zinc/77/94/98/436779498.db2.gz ZODNRNFWEDKITM-NSHDSACASA-N 0 3 334.376 0.924 20 5 ECBDHN CCN(CCO)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000274547879 436841594 /nfs/dbraw/zinc/84/15/94/436841594.db2.gz MBJWSARWNOZFFV-UHFFFAOYSA-N 0 3 334.376 0.980 20 5 ECBDHN Cc1nn(C)c(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000156936270 436822698 /nfs/dbraw/zinc/82/26/98/436822698.db2.gz DAKGTDBGTDZCIM-GFCCVEGCSA-N 0 3 339.396 0.459 20 5 ECBDHN CCN(CCO)CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280786613 436920723 /nfs/dbraw/zinc/92/07/23/436920723.db2.gz KMNKSUPSMZAEOB-UHFFFAOYSA-N 0 3 325.365 0.712 20 5 ECBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@](C)(O)CN(C)C ZINC000161450333 436891241 /nfs/dbraw/zinc/89/12/41/436891241.db2.gz DIJKMTASAUWQQC-ZDUSSCGKSA-N 0 3 331.394 0.494 20 5 ECBDHN CN1CCN([C@H]2CCCCN(CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000161863515 436897698 /nfs/dbraw/zinc/89/76/98/436897698.db2.gz KTBWEJZHMDNMNM-HNNXBMFYSA-N 0 3 336.440 0.893 20 5 ECBDHN CN(C)CCN1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298442558 437036858 /nfs/dbraw/zinc/03/68/58/437036858.db2.gz DBHVZMIFJCMREU-UHFFFAOYSA-N 0 3 336.396 0.527 20 5 ECBDHN CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000264010594 437013594 /nfs/dbraw/zinc/01/35/94/437013594.db2.gz ARNKUZBSLNXIAW-UHFFFAOYSA-N 0 3 337.380 0.549 20 5 ECBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000264010594 437013597 /nfs/dbraw/zinc/01/35/97/437013597.db2.gz ARNKUZBSLNXIAW-UHFFFAOYSA-N 0 3 337.380 0.549 20 5 ECBDHN CNC(=O)OC[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286684633 437117374 /nfs/dbraw/zinc/11/73/74/437117374.db2.gz CNWRMEFJBYKCAM-AAEUAGOBSA-N 0 3 341.368 0.363 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000267096837 437288836 /nfs/dbraw/zinc/28/88/36/437288836.db2.gz JRTWXWCPWDAWIC-CYBMUJFWSA-N 0 3 327.410 0.653 20 5 ECBDHN COCCNC(=O)[C@H]1CC[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267113681 437292244 /nfs/dbraw/zinc/29/22/44/437292244.db2.gz YFTXXUCWQWVPIY-STQMWFEESA-N 0 3 339.396 0.654 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000415444815 437805328 /nfs/dbraw/zinc/80/53/28/437805328.db2.gz DSJGKSGAGRSMTC-GFCCVEGCSA-N 0 3 336.348 0.786 20 5 ECBDHN CN(C)CCOCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000347174387 437846940 /nfs/dbraw/zinc/84/69/40/437846940.db2.gz OGXZBLBAGMHKOB-UHFFFAOYSA-N 0 3 345.421 0.635 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOCC[NH+](C)C ZINC000347181484 437848252 /nfs/dbraw/zinc/84/82/52/437848252.db2.gz QSOPYAIJXVBPAZ-UHFFFAOYSA-N 0 3 331.394 0.760 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1NCCCCN1CCN(CCO)CC1 ZINC000358225843 438187356 /nfs/dbraw/zinc/18/73/56/438187356.db2.gz QVTMKZRBEOAOPY-UHFFFAOYSA-N 0 3 326.401 0.130 20 5 ECBDHN O=C(CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCOCC1 ZINC000368473452 438336950 /nfs/dbraw/zinc/33/69/50/438336950.db2.gz HOOYBIKBPJMUMQ-UHFFFAOYSA-N 0 3 337.380 0.677 20 5 ECBDHN CN1CCNC[C@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000394786366 438445925 /nfs/dbraw/zinc/44/59/25/438445925.db2.gz KOSMSCYFDKAAOY-JTQLQIEISA-N 0 3 328.394 0.314 20 5 ECBDHN [NH3+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440334856 438546402 /nfs/dbraw/zinc/54/64/02/438546402.db2.gz BRBKETYHOWDRRK-UHFFFAOYSA-N 0 3 338.183 0.984 20 5 ECBDHN [NH3+][C@H]1CCC[C@H]1NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979031 438623263 /nfs/dbraw/zinc/62/32/63/438623263.db2.gz IQVRATVKBOGKJD-WDEREUQCSA-N 0 3 328.394 0.343 20 5 ECBDHN CNc1nccc(C(=O)NC2CCN(CCOC)CC2)c1[N+](=O)[O-] ZINC000557568510 438802926 /nfs/dbraw/zinc/80/29/26/438802926.db2.gz DUAVSAASIFNZDQ-UHFFFAOYSA-N 0 3 337.380 0.872 20 5 ECBDHN N[C@H]1C[C@@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000514952061 438842693 /nfs/dbraw/zinc/84/26/93/438842693.db2.gz SBUDBGDHPNNPCO-NEPJUHHUSA-N 0 3 337.311 0.510 20 5 ECBDHN CNc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000577508594 438847860 /nfs/dbraw/zinc/84/78/60/438847860.db2.gz KEIBZPBEAVNJBS-QWRGUYRKSA-N 0 3 333.348 0.021 20 5 ECBDHN NC(=O)C1(NCCC(=O)Nc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000595729922 438852667 /nfs/dbraw/zinc/85/26/67/438852667.db2.gz WYBHUIZTDWBUCF-UHFFFAOYSA-N 0 3 336.348 0.548 20 5 ECBDHN O=C1CCCN1C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595827329 438866758 /nfs/dbraw/zinc/86/67/58/438866758.db2.gz BQNNYGBFZJXTIH-ZDUSSCGKSA-N 0 3 334.376 0.701 20 5 ECBDHN C[C@@H](CS(C)(=O)=O)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564854813 438877862 /nfs/dbraw/zinc/87/78/62/438877862.db2.gz BREFELBTZRXTEE-CMPLNLGQSA-N 0 3 332.378 0.357 20 5 ECBDHN C[C@]1([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]C1 ZINC000596049928 438918485 /nfs/dbraw/zinc/91/84/85/438918485.db2.gz KJHGFBIASUBINU-ZDUSSCGKSA-N 0 3 343.361 0.396 20 5 ECBDHN CCN(CC)CC(=O)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590576219 438935083 /nfs/dbraw/zinc/93/50/83/438935083.db2.gz CTDTVLRJHOHYSM-UHFFFAOYSA-N 0 3 336.396 0.562 20 5 ECBDHN COCCN(CCN(C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000565604677 438965014 /nfs/dbraw/zinc/96/50/14/438965014.db2.gz QRVUCHXJBYASLO-UHFFFAOYSA-N 0 3 328.344 0.966 20 5 ECBDHN O=C(CN1CCCC1)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000580527372 439099370 /nfs/dbraw/zinc/09/93/70/439099370.db2.gz IDRWPDOROLQCIG-UHFFFAOYSA-N 0 3 337.355 0.873 20 5 ECBDHN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520229143 439074150 /nfs/dbraw/zinc/07/41/50/439074150.db2.gz BZGFTKFDWJLKPB-RKDXNWHRSA-N 0 3 345.377 0.770 20 5 ECBDHN COC(=O)c1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1 ZINC000580922147 439148850 /nfs/dbraw/zinc/14/88/50/439148850.db2.gz FMGMDMNDPPIMLX-STQMWFEESA-N 0 3 337.332 0.128 20 5 ECBDHN CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000602873256 439151306 /nfs/dbraw/zinc/15/13/06/439151306.db2.gz IFYBQYYCDACHKW-UONOGXRCSA-N 0 3 325.413 0.814 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](O)[C@@H]2CCOC2)cc1 ZINC000592431074 439226847 /nfs/dbraw/zinc/22/68/47/439226847.db2.gz LCZIUNLWOGWNFB-BXUZGUMPSA-N 0 3 344.389 0.356 20 5 ECBDHN CC(C)[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000598576397 439281109 /nfs/dbraw/zinc/28/11/09/439281109.db2.gz SAERVHGBPWINRT-AWEZNQCLSA-N 0 3 334.376 0.781 20 5 ECBDHN COC(=O)c1ccnc(NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000598588705 439281415 /nfs/dbraw/zinc/28/14/15/439281415.db2.gz KZKITKFKLLPGKV-UHFFFAOYSA-N 0 3 337.380 0.826 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H]1CCCS1(=O)=O ZINC000569449674 439332984 /nfs/dbraw/zinc/33/29/84/439332984.db2.gz NQUTUFHAKVHFBK-RYUDHWBXSA-N 0 3 344.389 0.501 20 5 ECBDHN C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000598665187 439300050 /nfs/dbraw/zinc/30/00/50/439300050.db2.gz LTEYJVVQEKSUTM-MNOVXSKESA-N 0 3 335.364 0.925 20 5 ECBDHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593545009 439401664 /nfs/dbraw/zinc/40/16/64/439401664.db2.gz YPLIQQICKTXYHF-UHFFFAOYSA-N 0 3 345.425 0.104 20 5 ECBDHN Cc1ccc(C)c(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1[N+](=O)[O-] ZINC000583325298 439450294 /nfs/dbraw/zinc/45/02/94/439450294.db2.gz HKBKCQZUZVNGSH-GFCCVEGCSA-N 0 3 342.421 0.475 20 5 ECBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000594025150 439509339 /nfs/dbraw/zinc/50/93/39/439509339.db2.gz BISLSXHHBVSOCB-UONOGXRCSA-N 0 3 335.360 0.632 20 5 ECBDHN COc1ccc(CNCCCN(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609287745 439563494 /nfs/dbraw/zinc/56/34/94/439563494.db2.gz ZOTMPHZWWGVIRM-UHFFFAOYSA-N 0 3 331.394 0.975 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599938026 439578882 /nfs/dbraw/zinc/57/88/82/439578882.db2.gz KOYNKXOLQKJXCX-OLZOCXBDSA-N 0 3 335.360 0.641 20 5 ECBDHN N[C@H]1C[C@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])CCN2C1=O ZINC000594702798 439593117 /nfs/dbraw/zinc/59/31/17/439593117.db2.gz ZVIIOAJUZJTIFO-JQWIXIFHSA-N 0 3 327.344 0.891 20 5 ECBDHN COCCN(C)CCN1C[C@@H](Nc2ncccc2[N+](=O)[O-])CC1=O ZINC000594874551 439636234 /nfs/dbraw/zinc/63/62/34/439636234.db2.gz ZVFWEOGOCHGEPO-LBPRGKRZSA-N 0 3 337.380 0.581 20 5 ECBDHN Cc1cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c(C)cc1[N+](=O)[O-] ZINC000573743910 439665418 /nfs/dbraw/zinc/66/54/18/439665418.db2.gz VORSCNYXKMRDRA-GFCCVEGCSA-N 0 3 342.421 0.475 20 5 ECBDHN CN(C[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000584832504 439620369 /nfs/dbraw/zinc/62/03/69/439620369.db2.gz BVNWEDOYDKJKMS-SNVBAGLBSA-N 0 3 328.394 0.773 20 5 ECBDHN N[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1F ZINC000595260781 439683755 /nfs/dbraw/zinc/68/37/55/439683755.db2.gz KUNHPRLPXSVQBV-NXEZZACHSA-N 0 3 325.296 0.877 20 5 ECBDHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000330612983 320844271 /nfs/dbraw/zinc/84/42/71/320844271.db2.gz RNBJSCNFXYDLBS-NEPJUHHUSA-N 0 3 331.398 0.241 20 5 ECBDHN CCN1CCC(n2nccc2NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000340136964 321018026 /nfs/dbraw/zinc/01/80/26/321018026.db2.gz NTQAJIFMGXRQNZ-UHFFFAOYSA-N 0 3 348.367 0.678 20 5 ECBDHN CN(C)CCOC1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000351828143 321337646 /nfs/dbraw/zinc/33/76/46/321337646.db2.gz UWKMCNMSQVQHED-UHFFFAOYSA-N 0 3 337.380 0.636 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c1 ZINC000351880479 321338755 /nfs/dbraw/zinc/33/87/55/321338755.db2.gz KJVIIZVCAUEXIX-CQSZACIVSA-N 0 3 345.421 0.803 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1COC[C@@H]1O ZINC000352795814 321372325 /nfs/dbraw/zinc/37/23/25/321372325.db2.gz FUPHLUJVJAOJKY-STQMWFEESA-N 0 3 339.348 0.624 20 5 ECBDHN CN1CCC(CCO)(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000354143226 321447463 /nfs/dbraw/zinc/44/74/63/321447463.db2.gz MAEWDPLTMDNKJL-UHFFFAOYSA-N 0 3 325.369 0.144 20 5 ECBDHN CCN1CCN([C@@H](C)CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000354424431 321477112 /nfs/dbraw/zinc/47/71/12/321477112.db2.gz QIVZNSPIMIMQMU-LBPRGKRZSA-N 0 3 335.408 0.933 20 5 ECBDHN C[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000356369830 321528355 /nfs/dbraw/zinc/52/83/55/321528355.db2.gz FPLZAOOGLNANIH-RYUDHWBXSA-N 0 3 349.391 0.603 20 5 ECBDHN CC(C)NC(=O)CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000555563523 322183828 /nfs/dbraw/zinc/18/38/28/322183828.db2.gz IWSSMWDLFXIRFJ-CYBMUJFWSA-N 0 3 325.365 0.839 20 5 ECBDHN O=C(CNC(=O)c1ccc([N+](=O)[O-])cn1)NCCN1CCCCCC1 ZINC000557128715 322204581 /nfs/dbraw/zinc/20/45/81/322204581.db2.gz HZABXOROLSPJEB-UHFFFAOYSA-N 0 3 349.391 0.712 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000566301233 322522645 /nfs/dbraw/zinc/52/26/45/322522645.db2.gz UOUVHWMCWZEBNF-LBPRGKRZSA-N 0 3 342.421 0.475 20 5 ECBDHN CS(=O)(=O)CCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572393332 322743970 /nfs/dbraw/zinc/74/39/70/322743970.db2.gz FWCGEAVTVFOZQB-LLVKDONJSA-N 0 3 332.378 0.359 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CCCS(=O)(=O)C1 ZINC000574271702 322776384 /nfs/dbraw/zinc/77/63/84/322776384.db2.gz YDGCNLYFOVRXBV-NWDGAFQWSA-N 0 3 344.389 0.501 20 5 ECBDHN N[C@H]1C[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C1=O ZINC000577077743 322824386 /nfs/dbraw/zinc/82/43/86/322824386.db2.gz OTDYXKOIPZGDRL-MNOVXSKESA-N 0 3 331.332 0.480 20 5 ECBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000579589834 322901390 /nfs/dbraw/zinc/90/13/90/322901390.db2.gz RQXVMBHBOBKRPX-JMSVASOKSA-N 0 3 337.380 0.440 20 5 ECBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000184081235 533913127 /nfs/dbraw/zinc/91/31/27/533913127.db2.gz KULXDQYXYGADHL-GFCCVEGCSA-N 0 3 335.408 0.933 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CCO)c2cccs2)c1 ZINC000754381810 579417322 /nfs/dbraw/zinc/41/73/22/579417322.db2.gz LBNMIXKKCOCFMT-VXGBXAGGSA-N 0 3 326.378 0.927 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCS(=O)(=O)C1 ZINC000783910590 578747124 /nfs/dbraw/zinc/74/71/24/578747124.db2.gz HXJRJOSCFYKHHK-MNOVXSKESA-N 0 3 330.362 0.111 20 5 ECBDHN CCNS(=O)(=O)CCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774240983 579243860 /nfs/dbraw/zinc/24/38/60/579243860.db2.gz TYHSJPNKRUPOPT-NEPJUHHUSA-N 0 3 345.425 0.804 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000762720759 579546971 /nfs/dbraw/zinc/54/69/71/579546971.db2.gz ZNEPNLOWLUIRCT-CYBMUJFWSA-N 0 3 329.303 0.869 20 5 ECBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCCN(CCO)CC1 ZINC000739889738 579720987 /nfs/dbraw/zinc/72/09/87/579720987.db2.gz YGKRHNLKGQNFGK-UHFFFAOYSA-N 0 3 348.403 0.991 20 5 ECBDHN CC(COC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O)[N+](=O)[O-] ZINC000835454441 588910737 /nfs/dbraw/zinc/91/07/37/588910737.db2.gz JQMZPEYHSXBKQR-ZCFIWIBFSA-N 0 3 327.318 0.121 20 5 ECBDHN CC(=O)NCC(=O)N1CCc2cc(C(=O)OCC(C)[N+](=O)[O-])ccc21 ZINC000813100027 587248030 /nfs/dbraw/zinc/24/80/30/587248030.db2.gz KKHUDICGDSIZLM-SNVBAGLBSA-N 0 3 349.343 0.534 20 5 ECBDHN CC(COC(=O)c1nc(S(C)(=O)=O)n2ccccc12)[N+](=O)[O-] ZINC000813103283 587248087 /nfs/dbraw/zinc/24/80/87/587248087.db2.gz BNBTYCDWTFGNCP-QMMMGPOBSA-N 0 3 327.318 0.560 20 5 ECBDHN CC(COC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)[N+](=O)[O-] ZINC000813111826 587248411 /nfs/dbraw/zinc/24/84/11/587248411.db2.gz AMOGMZBMIKVGCB-SSDOTTSWSA-N 0 3 334.288 0.654 20 5 ECBDHN CON(C)S(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813106911 587248496 /nfs/dbraw/zinc/24/84/96/587248496.db2.gz HUCDLGSJYNDSOT-VIFPVBQESA-N 0 3 332.334 0.691 20 5 ECBDHN COc1c(C)cnc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000818988426 587463589 /nfs/dbraw/zinc/46/35/89/587463589.db2.gz PDJSNYNHEFNQDE-ZDUSSCGKSA-N 0 3 335.364 0.962 20 5 ECBDHN CC(C)S(=O)(=O)CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819316260 587476380 /nfs/dbraw/zinc/47/63/80/587476380.db2.gz DNGUJJAVXHQCJT-ZDUSSCGKSA-N 0 3 346.405 0.747 20 5 ECBDHN O=[N+]([O-])c1cc2c(c(-c3nc(N4CCNCC4)no3)c1)OCCO2 ZINC000823300382 587714730 /nfs/dbraw/zinc/71/47/30/587714730.db2.gz RNNBLEOTXDUAIO-UHFFFAOYSA-N 0 3 333.304 0.826 20 5 ECBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848307348 589287933 /nfs/dbraw/zinc/28/79/33/589287933.db2.gz IJJLMTPAHKFQHO-UONOGXRCSA-N 0 3 345.359 0.222 20 5 ECBDHN O=C1COC[C@@]2(CN[C@@H]3CCc4c3cccc4[N+](=O)[O-])COCCN12 ZINC000866552495 589749891 /nfs/dbraw/zinc/74/98/91/589749891.db2.gz BGAHVIFUJKUMNF-RHSMWYFYSA-N 0 3 347.371 0.800 20 5 ECBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000884825340 590930339 /nfs/dbraw/zinc/93/03/39/590930339.db2.gz QSZYIMGSUQBXIU-UHFFFAOYSA-N 0 3 342.371 0.907 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)[C@@H](CO)C1 ZINC000931405343 611537043 /nfs/dbraw/zinc/53/70/43/611537043.db2.gz IWWRBHVOLBWEQU-CQSZACIVSA-N 0 3 336.392 0.840 20 5 ECBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CNCCO1 ZINC000842483585 611313347 /nfs/dbraw/zinc/31/33/47/611313347.db2.gz ONVBNQCWMDEBPN-SECBINFHSA-N 0 3 349.796 0.823 20 5 ECBDHN COCCN1[C@H](C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000090588983 612325768 /nfs/dbraw/zinc/32/57/68/612325768.db2.gz JKWKEZWMIBDSCL-OKILXGFUSA-N 0 3 338.408 0.798 20 5 ECBDHN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973258595 738993609 /nfs/dbraw/zinc/99/36/09/738993609.db2.gz XPJFGHPNMIMQER-DDHJBXDOSA-N 0 3 349.391 0.884 20 5 ECBDHN CCCc1noc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983654394 745002770 /nfs/dbraw/zinc/00/27/70/745002770.db2.gz NGUSDDGDZQSWNZ-DDHJBXDOSA-N 0 3 337.380 0.672 20 5 ECBDHN O=C(c1ccn2cncc2c1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011112786 756946097 /nfs/dbraw/zinc/94/60/97/756946097.db2.gz KEWAQKFGDKTYPD-ZIAGYGMSSA-N 0 3 343.343 0.284 20 5 ECBDHN Cc1nc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@H]3C2)c(C)o1 ZINC001048814426 757083221 /nfs/dbraw/zinc/08/32/21/757083221.db2.gz KRACKNZMWJPOQB-QVHKTLOISA-N 0 3 334.376 0.847 20 5 ECBDHN Nc1nc(NC/C=C/CNC(=O)CN2CCCC2)ncc1[N+](=O)[O-] ZINC001107199260 757584866 /nfs/dbraw/zinc/58/48/66/757584866.db2.gz AJVXTBCJTMPEJP-OWOJBTEDSA-N 0 3 335.368 0.147 20 5 ECBDHN COCc1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001022063762 758226913 /nfs/dbraw/zinc/22/69/13/758226913.db2.gz LROCPUBTHNZKSU-RBLKWDMZSA-N 0 3 340.405 0.692 20 5 ECBDHN Cn1cnc(C(=O)N2CCC(NCc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000991090062 759274412 /nfs/dbraw/zinc/27/44/12/759274412.db2.gz RQDMRUZSXOZEFL-UHFFFAOYSA-N 0 3 347.379 0.456 20 5 ECBDHN Cn1cnnc1CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525071 760662881 /nfs/dbraw/zinc/66/28/81/760662881.db2.gz JSJOSAWCBAJWCP-XVIXHAIJSA-N 0 3 348.407 0.340 20 5 ECBDHN O=C(NCC1CN(CCOc2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031660637 766378479 /nfs/dbraw/zinc/37/84/79/766378479.db2.gz NJMCJYKWZFBONU-HUUCEWRRSA-N 0 3 337.351 0.918 20 5 ECBDHN CCCc1nnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001020139107 772205424 /nfs/dbraw/zinc/20/54/24/772205424.db2.gz QQRQFYFNPRVDOZ-GWOFURMSSA-N 0 3 339.421 0.893 20 5 ECBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(C)c1N ZINC001267363711 837258160 /nfs/dbraw/zinc/25/81/60/837258160.db2.gz IXZHTDDDTZJMEM-UHFFFAOYSA-N 0 3 332.364 0.772 20 5 ECBDHN COc1ccnc(N2CCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)c1 ZINC000354954421 299171306 /nfs/dbraw/zinc/17/13/06/299171306.db2.gz VDAOXAABZVMPCI-UHFFFAOYSA-N 0 3 346.347 0.992 20 5 ECBDHN CN(C)CCOc1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)ccn1 ZINC000183239934 234967885 /nfs/dbraw/zinc/96/78/85/234967885.db2.gz GKZFCYQNUYGKSF-UHFFFAOYSA-N 0 3 348.363 0.557 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](OCCO)C2)c1 ZINC000265198749 247290545 /nfs/dbraw/zinc/29/05/45/247290545.db2.gz JAIXLQPZFBWUMI-ZBFHGGJFSA-N 0 3 340.376 0.808 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000487168039 254832841 /nfs/dbraw/zinc/83/28/41/254832841.db2.gz ZAKDDHLRAJBJRW-CQSZACIVSA-N 0 3 329.303 0.598 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-]CC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261999222 165274555 /nfs/dbraw/zinc/27/45/55/165274555.db2.gz UWAIWYIDCIEHQI-JTQLQIEISA-N 0 3 329.378 0.881 20 5 ECBDHN COCCCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000171124178 226902169 /nfs/dbraw/zinc/90/21/69/226902169.db2.gz ZRJWJCQIRQDEPR-UHFFFAOYSA-N 0 3 325.369 0.408 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000269885223 263210553 /nfs/dbraw/zinc/21/05/53/263210553.db2.gz JKGXCSIWPFTASY-OAHLLOKOSA-N 0 3 338.364 0.271 20 5 ECBDHN Cc1c(NC(=O)CCN2CC[C@H](NC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000270681034 263262600 /nfs/dbraw/zinc/26/26/00/263262600.db2.gz MORKGQMNNUKKNB-NSHDSACASA-N 0 3 335.364 0.974 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270795310 263273549 /nfs/dbraw/zinc/27/35/49/263273549.db2.gz MRZDDZZWMZQYGS-PHIMTYICSA-N 0 3 325.369 0.937 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270795310 263273551 /nfs/dbraw/zinc/27/35/51/263273551.db2.gz MRZDDZZWMZQYGS-PHIMTYICSA-N 0 3 325.369 0.937 20 5 ECBDHN CS[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275087434 263548720 /nfs/dbraw/zinc/54/87/20/263548720.db2.gz HAASFSAOHHIJBZ-MNOVXSKESA-N 0 3 325.394 0.970 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CN1C(C)C(=O)N(C)S1(=O)=O ZINC000282948547 264071661 /nfs/dbraw/zinc/07/16/61/264071661.db2.gz HUDKQUZBGAGEAJ-QMMMGPOBSA-N 0 3 329.334 0.511 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000283027434 264078759 /nfs/dbraw/zinc/07/87/59/264078759.db2.gz MRMDBFNPWFDANC-VIFPVBQESA-N 0 3 329.334 0.381 20 5 ECBDHN CN1CC[C@@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284965515 264263880 /nfs/dbraw/zinc/26/38/80/264263880.db2.gz WSEWLLSSSBRMHG-GJZGRUSLSA-N 0 3 334.376 0.599 20 5 ECBDHN C[NH+]1CCN(c2ncccc2CNC(=O)c2cc([N+](=O)[O-])n[n-]2)CC1 ZINC000285064185 264274640 /nfs/dbraw/zinc/27/46/40/264274640.db2.gz KTLYOXYQMMHUFH-UHFFFAOYSA-N 0 3 345.363 0.395 20 5 ECBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCN2CCN(C)CC2)n1 ZINC000286266547 264384556 /nfs/dbraw/zinc/38/45/56/264384556.db2.gz WEMGURCBMDGYRL-UHFFFAOYSA-N 0 3 337.380 0.826 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295389010 265063147 /nfs/dbraw/zinc/06/31/47/265063147.db2.gz QTWVZKUXLSBUMU-MRVPVSSYSA-N 0 3 327.318 0.185 20 5 ECBDHN CN1CC[C@@H]2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375048375 277146911 /nfs/dbraw/zinc/14/69/11/277146911.db2.gz HXXFGTPKUYDGRI-QMTHXVAHSA-N 0 3 340.405 0.773 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000346717685 298327253 /nfs/dbraw/zinc/32/72/53/298327253.db2.gz GMNWSQIOELAIJA-CYBMUJFWSA-N 0 3 339.396 0.669 20 5 ECBDHN CN(C)CCN1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000363015584 300241249 /nfs/dbraw/zinc/24/12/49/300241249.db2.gz DMHLDHSXBHMZPY-UHFFFAOYSA-N 0 3 338.412 0.277 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C1CC1 ZINC000070449474 435986578 /nfs/dbraw/zinc/98/65/78/435986578.db2.gz ZQNMVAMWVFKBNE-LLVKDONJSA-N 0 3 334.376 0.924 20 5 ECBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CCCC1 ZINC000072937336 436063011 /nfs/dbraw/zinc/06/30/11/436063011.db2.gz FEXAWQDPDWIICX-UHFFFAOYSA-N 0 3 334.376 0.927 20 5 ECBDHN O=C1CC2(CN1)CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000075013538 436147106 /nfs/dbraw/zinc/14/71/06/436147106.db2.gz HNMFGNPRPRJLGF-AWEZNQCLSA-N 0 3 349.387 0.937 20 5 ECBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(C[C@H](O)CN3CCOCC3)C2)c1 ZINC000373584358 301068885 /nfs/dbraw/zinc/06/88/85/301068885.db2.gz LAGNBIVJCVEZEU-UKRRQHHQSA-N 0 3 339.396 0.121 20 5 ECBDHN NC(=O)c1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000375356087 301169481 /nfs/dbraw/zinc/16/94/81/301169481.db2.gz QDZBLSKKBMHMLQ-IUODEOHRSA-N 0 3 332.360 0.841 20 5 ECBDHN CNCCN(C)S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000420430554 301466552 /nfs/dbraw/zinc/46/65/52/301466552.db2.gz DHIHWUVZGSLARQ-UHFFFAOYSA-N 0 3 331.350 0.221 20 5 ECBDHN NC(=O)CC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000048025048 436437452 /nfs/dbraw/zinc/43/74/52/436437452.db2.gz FPMVZDPCMSCINE-CQSZACIVSA-N 0 3 337.376 0.922 20 5 ECBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000048245628 436445183 /nfs/dbraw/zinc/44/51/83/436445183.db2.gz JFXFQWGPRDEBAI-CYBMUJFWSA-N 0 3 330.348 0.577 20 5 ECBDHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104102462 436557902 /nfs/dbraw/zinc/55/79/02/436557902.db2.gz ILRIAZQBLDBHIP-UHFFFAOYSA-N 0 3 344.437 0.709 20 5 ECBDHN CC(C)c1n[nH]c(C(=O)NC[C@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000552028296 302381331 /nfs/dbraw/zinc/38/13/31/302381331.db2.gz UOHSECHHMGZLEM-HNNXBMFYSA-N 0 3 337.380 0.628 20 5 ECBDHN CN1CCC[C@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000139571795 436666700 /nfs/dbraw/zinc/66/67/00/436666700.db2.gz WDHQTTMLVAKVDJ-ZDUSSCGKSA-N 0 3 348.407 0.916 20 5 ECBDHN COCCNCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237325814 436731844 /nfs/dbraw/zinc/73/18/44/436731844.db2.gz AYEWBJBCVAAFTG-UHFFFAOYSA-N 0 3 347.375 0.961 20 5 ECBDHN Cc1sc(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000125718645 436773979 /nfs/dbraw/zinc/77/39/79/436773979.db2.gz ZQQAREYPYAZQED-NSHDSACASA-N 0 3 337.423 0.556 20 5 ECBDHN CN(C)CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000130716640 436841358 /nfs/dbraw/zinc/84/13/58/436841358.db2.gz BKLYQMNIEGIDDZ-UHFFFAOYSA-N 0 3 328.756 0.656 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000280935528 436935678 /nfs/dbraw/zinc/93/56/78/436935678.db2.gz HLJYWYCVPBJXAD-HZPDHXFCSA-N 0 3 347.375 0.838 20 5 ECBDHN CN1CCC[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301210491 437115704 /nfs/dbraw/zinc/11/57/04/437115704.db2.gz SSQMNQOYAVFTDD-JTQLQIEISA-N 0 3 328.394 0.996 20 5 ECBDHN CCOC[C@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178006014 437203089 /nfs/dbraw/zinc/20/30/89/437203089.db2.gz NJZYLYGNGMWOIX-NSHDSACASA-N 0 3 331.394 0.888 20 5 ECBDHN C[C@@H]1NCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000277550533 437230884 /nfs/dbraw/zinc/23/08/84/437230884.db2.gz YRCBCCKJXFAKDQ-RYUDHWBXSA-N 0 3 334.376 0.924 20 5 ECBDHN NC(=O)c1ccc(CN2CCN(C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000178826488 437233639 /nfs/dbraw/zinc/23/36/39/437233639.db2.gz GKQZLIHVVRPURW-CYBMUJFWSA-N 0 3 348.403 0.848 20 5 ECBDHN CN1CCC(O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000266764753 437239842 /nfs/dbraw/zinc/23/98/42/437239842.db2.gz OLFHUBVTBHQBLF-UHFFFAOYSA-N 0 3 326.328 0.503 20 5 ECBDHN CCN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000180528897 437290979 /nfs/dbraw/zinc/29/09/79/437290979.db2.gz WIQYCHBBXZGVTI-UHFFFAOYSA-N 0 3 336.396 0.329 20 5 ECBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000184070259 437396785 /nfs/dbraw/zinc/39/67/85/437396785.db2.gz KDKMFMRLYVIXJB-LBPRGKRZSA-N 0 3 335.408 0.933 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOCC3(CCOCC3)C2)c1 ZINC000184099607 437400052 /nfs/dbraw/zinc/40/00/52/437400052.db2.gz SMQKYNSMDLYTAM-CQSZACIVSA-N 0 3 340.380 0.281 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184346610 437400729 /nfs/dbraw/zinc/40/07/29/437400729.db2.gz SFQDODCRXWKNFZ-GFCCVEGCSA-N 0 3 338.412 0.242 20 5 ECBDHN COCCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193165212 437703614 /nfs/dbraw/zinc/70/36/14/437703614.db2.gz MWNHXRZJSNSMON-UHFFFAOYSA-N 0 3 333.348 0.875 20 5 ECBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@H]1CN ZINC000423646310 437788868 /nfs/dbraw/zinc/78/88/68/437788868.db2.gz LSTWLASNTWARRG-AWEZNQCLSA-N 0 3 334.376 0.545 20 5 ECBDHN CCN1CCN(C[C@H](C)CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000347525191 437905428 /nfs/dbraw/zinc/90/54/28/437905428.db2.gz PHDKMWYXNLXWKC-GFCCVEGCSA-N 0 3 338.412 0.332 20 5 ECBDHN COCCNCCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417188042 438030163 /nfs/dbraw/zinc/03/01/63/438030163.db2.gz HEEMXYIGZUWVJR-UHFFFAOYSA-N 0 3 326.353 0.639 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](O)CN2CCC(C)CC2)n1 ZINC000427614161 438082913 /nfs/dbraw/zinc/08/29/13/438082913.db2.gz VVPWPWGUWDAAQM-LBPRGKRZSA-N 0 3 339.396 0.634 20 5 ECBDHN C[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000357865762 438087110 /nfs/dbraw/zinc/08/71/10/438087110.db2.gz SOEUGMOUYUAJJP-SNVBAGLBSA-N 0 3 336.348 0.387 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCC2(N3CCCC3)CCOCC2)n1 ZINC000357915288 438098244 /nfs/dbraw/zinc/09/82/44/438098244.db2.gz TVWNEKJWAONBTK-UHFFFAOYSA-N 0 3 337.380 0.703 20 5 ECBDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000352408383 438420303 /nfs/dbraw/zinc/42/03/03/438420303.db2.gz VAEHPRRMIXZTCC-WDEREUQCSA-N 0 3 331.398 0.241 20 5 ECBDHN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420451771 438409153 /nfs/dbraw/zinc/40/91/53/438409153.db2.gz ZSZKGQRZUGRAIX-SECBINFHSA-N 0 3 345.377 0.772 20 5 ECBDHN CC(C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)S(C)(=O)=O ZINC000359609829 438469416 /nfs/dbraw/zinc/46/94/16/438469416.db2.gz HRIZSPKQAJLDGA-VIFPVBQESA-N 0 3 328.346 0.749 20 5 ECBDHN O=C([C@H]1CN2CCN1CCC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408033846 438494167 /nfs/dbraw/zinc/49/41/67/438494167.db2.gz QGVUKLWMXQFWRD-MRXNPFEDSA-N 0 3 330.388 0.869 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@@H]2Cn2cccn2)c1 ZINC000369782039 438514528 /nfs/dbraw/zinc/51/45/28/438514528.db2.gz KZFPAZDMCSBARE-UKRRQHHQSA-N 0 3 334.380 0.903 20 5 ECBDHN O=C1CNC(=O)N1CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440507036 438553838 /nfs/dbraw/zinc/55/38/38/438553838.db2.gz SHRQBJIDTRIONK-NSHDSACASA-N 0 3 348.363 0.418 20 5 ECBDHN C[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422984470 438624975 /nfs/dbraw/zinc/62/49/75/438624975.db2.gz XWIOLUVIZBGZJE-NEPJUHHUSA-N 0 3 342.421 0.603 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000493477797 438628271 /nfs/dbraw/zinc/62/82/71/438628271.db2.gz BGTHSDJMSLUFSU-WVSCJACDSA-N 0 3 348.334 0.518 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CO)Cc2cccnc2)c1 ZINC000574813265 438721810 /nfs/dbraw/zinc/72/18/10/438721810.db2.gz WIJHMKLBRNQLBS-ZBFHGGJFSA-N 0 3 347.371 0.923 20 5 ECBDHN CNc1nc(C(=O)NCCN(C)CCCOC)ccc1[N+](=O)[O-] ZINC000455746766 438752309 /nfs/dbraw/zinc/75/23/09/438752309.db2.gz AWJLLIFEOXDMSS-UHFFFAOYSA-N 0 3 325.369 0.730 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CO)CN1CCCC1 ZINC000588866836 438846003 /nfs/dbraw/zinc/84/60/03/438846003.db2.gz ASRCILGDMWFTEE-LBPRGKRZSA-N 0 3 325.369 0.063 20 5 ECBDHN COC[C@H](O)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516182123 438897015 /nfs/dbraw/zinc/89/70/15/438897015.db2.gz JNGQETRJJMXCEQ-GFCCVEGCSA-N 0 3 332.378 0.356 20 5 ECBDHN COc1ccc(C(=O)N2CC(CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000590399600 438918450 /nfs/dbraw/zinc/91/84/50/438918450.db2.gz KHFCWTGECDGBPJ-UHFFFAOYSA-N 0 3 348.403 0.923 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601651999 438949940 /nfs/dbraw/zinc/94/99/40/438949940.db2.gz ZOXLHDOIMKQOCL-SNVBAGLBSA-N 0 3 338.339 0.926 20 5 ECBDHN N[C@@H]1C[C@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])CCN2C1=O ZINC000566020629 438998342 /nfs/dbraw/zinc/99/83/42/438998342.db2.gz YLTYWGBJLNMGRC-GXFFZTMASA-N 0 3 327.344 0.891 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCn2cncn2)cc1 ZINC000566110200 439008690 /nfs/dbraw/zinc/00/86/90/439008690.db2.gz HBVAMEKLHYNYMR-UHFFFAOYSA-N 0 3 325.350 0.250 20 5 ECBDHN NC[C@@H](NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000591422730 439013451 /nfs/dbraw/zinc/01/34/51/439013451.db2.gz XMCVZIOZWIADAM-CYBMUJFWSA-N 0 3 332.360 0.333 20 5 ECBDHN Cn1cc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c([N+](=O)[O-])n1 ZINC000602485249 439098935 /nfs/dbraw/zinc/09/89/35/439098935.db2.gz QSRVEIPELFRXFW-CYBMUJFWSA-N 0 3 336.396 0.067 20 5 ECBDHN CN1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000521216444 439111001 /nfs/dbraw/zinc/11/10/01/439111001.db2.gz NKZJSHHZQGCIKF-ZDUSSCGKSA-N 0 3 337.380 0.258 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)n1 ZINC000597694200 439162344 /nfs/dbraw/zinc/16/23/44/439162344.db2.gz JUFFXHZZUGLBNF-AAEUAGOBSA-N 0 3 337.380 0.746 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)NC[C@@H]2C[C@H](F)CN2)ccc1[N+](=O)[O-] ZINC000592337313 439208698 /nfs/dbraw/zinc/20/86/98/439208698.db2.gz DXDSJBCHBGJOCX-RYUDHWBXSA-N 0 3 338.339 0.449 20 5 ECBDHN O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000597993157 439210250 /nfs/dbraw/zinc/21/02/50/439210250.db2.gz ZSZMIDFDMRTQSO-CYBMUJFWSA-N 0 3 345.359 0.815 20 5 ECBDHN N[C@H]1C[C@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568783173 439280169 /nfs/dbraw/zinc/28/01/69/439280169.db2.gz OTCWTWQUCDCNAN-KBPBESRZSA-N 0 3 347.375 0.167 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000598188472 439237611 /nfs/dbraw/zinc/23/76/11/439237611.db2.gz TXAGZMWXFNYYQO-UHFFFAOYSA-N 0 3 336.392 0.616 20 5 ECBDHN COC[C@H]1C[C@@H](O)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593067090 439336519 /nfs/dbraw/zinc/33/65/19/439336519.db2.gz STSSMLYGZWSPLB-UPJWGTAASA-N 0 3 326.349 0.416 20 5 ECBDHN CN1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000582061406 439286187 /nfs/dbraw/zinc/28/61/87/439286187.db2.gz QCEWLKPKSWVRKW-CYBMUJFWSA-N 0 3 344.375 0.495 20 5 ECBDHN [NH3+]CCCOCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599110033 439361840 /nfs/dbraw/zinc/36/18/40/439361840.db2.gz COWSZIXHKMNDQS-UHFFFAOYSA-N 0 3 337.785 0.892 20 5 ECBDHN C[NH2+]CCOCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000599106274 439358492 /nfs/dbraw/zinc/35/84/92/439358492.db2.gz DKFBBCAAIZIBAW-UHFFFAOYSA-N 0 3 331.394 0.726 20 5 ECBDHN C[C@@H](C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000582735954 439374605 /nfs/dbraw/zinc/37/46/05/439374605.db2.gz PIJFAOKHLFEVPP-NEPJUHHUSA-N 0 3 336.392 0.881 20 5 ECBDHN COc1cc(N2CCN(CCN(C)C)C(=O)C2)c(F)cc1[N+](=O)[O-] ZINC000593485700 439387803 /nfs/dbraw/zinc/38/78/03/439387803.db2.gz BFUYGXXMUOYZDN-UHFFFAOYSA-N 0 3 340.355 0.953 20 5 ECBDHN CNc1nccc(C(=O)N2CCOC3(CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000594372670 439549207 /nfs/dbraw/zinc/54/92/07/439549207.db2.gz WQPHJXSYGIDVSI-UHFFFAOYSA-N 0 3 349.391 0.968 20 5 ECBDHN CN(CC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000594393814 439554662 /nfs/dbraw/zinc/55/46/62/439554662.db2.gz RAKGLUBNFVCBMV-QWHCGFSZSA-N 0 3 334.376 0.308 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599938027 439578699 /nfs/dbraw/zinc/57/86/99/439578699.db2.gz KOYNKXOLQKJXCX-QWHCGFSZSA-N 0 3 335.360 0.641 20 5 ECBDHN CC(C)NC(=O)c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594603010 439582491 /nfs/dbraw/zinc/58/24/91/439582491.db2.gz HCHWYJFPRHUIPT-UONOGXRCSA-N 0 3 348.403 0.988 20 5 ECBDHN CCc1n[nH]c(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000610913469 439657753 /nfs/dbraw/zinc/65/77/53/439657753.db2.gz YKMROIVCNGLLLK-NSHDSACASA-N 0 3 337.380 0.863 20 5 ECBDHN COc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595231228 439676901 /nfs/dbraw/zinc/67/69/01/439676901.db2.gz NYELLBAHGRZGQK-GHMZBOCLSA-N 0 3 349.347 0.379 20 5 ECBDHN CC(C)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000595253082 439682443 /nfs/dbraw/zinc/68/24/43/439682443.db2.gz MDJRKWYKYSTKRP-UHFFFAOYSA-N 0 3 334.376 0.877 20 5 ECBDHN CC(C)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC1 ZINC000611395357 439694425 /nfs/dbraw/zinc/69/44/25/439694425.db2.gz HOTZQJPFMPBOIT-KGLIPLIRSA-N 0 3 339.396 0.389 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCN1CCC(O)CC1 ZINC000345540606 321192235 /nfs/dbraw/zinc/19/22/35/321192235.db2.gz MKPDMFDRQCMMRU-UHFFFAOYSA-N 0 3 339.396 0.453 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532790670 322061341 /nfs/dbraw/zinc/06/13/41/322061341.db2.gz AVHOJWBMQCCIDS-CQSZACIVSA-N 0 3 325.321 0.366 20 5 ECBDHN O=C1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1c1ccccc1 ZINC000562987466 322291481 /nfs/dbraw/zinc/29/14/81/322291481.db2.gz RKCSMWZCTXSBQU-SWLSCSKDSA-N 0 3 345.359 0.547 20 5 ECBDHN C[S@](=O)C1(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000563002974 322292359 /nfs/dbraw/zinc/29/23/59/322292359.db2.gz MGZOHQLQOKZSBJ-XFNZEKPQSA-N 0 3 328.390 0.835 20 5 ECBDHN COC(=O)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000563710398 322340191 /nfs/dbraw/zinc/34/01/91/322340191.db2.gz ZZRRJXXYWMDQHG-JTQLQIEISA-N 0 3 340.361 0.790 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000574271701 322776380 /nfs/dbraw/zinc/77/63/80/322776380.db2.gz YDGCNLYFOVRXBV-NEPJUHHUSA-N 0 3 344.389 0.501 20 5 ECBDHN C[C@@H]1OCC[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178683817 534197878 /nfs/dbraw/zinc/19/78/78/534197878.db2.gz JYBPHYLIBLYVAP-GXFFZTMASA-N 0 3 329.378 0.640 20 5 ECBDHN NC(=O)C[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181940073 534360118 /nfs/dbraw/zinc/36/01/18/534360118.db2.gz HBRAQHCPSXDJSP-OLZOCXBDSA-N 0 3 337.376 0.922 20 5 ECBDHN NC(=O)c1ccc(CN2CC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000129211723 534480585 /nfs/dbraw/zinc/48/05/85/534480585.db2.gz OBMQFURFZRGHFQ-CYBMUJFWSA-N 0 3 348.403 0.848 20 5 ECBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000183932957 528546152 /nfs/dbraw/zinc/54/61/52/528546152.db2.gz POGHUQWCEDNNGC-UHFFFAOYSA-N 0 3 340.336 0.855 20 5 ECBDHN CCN(CCO)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000183980728 528550734 /nfs/dbraw/zinc/55/07/34/528550734.db2.gz WZSITVAUCGXASF-UHFFFAOYSA-N 0 3 347.375 0.825 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000619253668 546311920 /nfs/dbraw/zinc/31/19/20/546311920.db2.gz BNPOUOXHKRISQU-OAHLLOKOSA-N 0 3 339.396 0.405 20 5 ECBDHN Cc1nn(CCC(=O)NOC2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000773552129 579229824 /nfs/dbraw/zinc/22/98/24/579229824.db2.gz UWYFKNYRDXWIRV-UHFFFAOYSA-N 0 3 325.369 0.940 20 5 ECBDHN COc1cccc([C@H](O)CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000843069652 589049131 /nfs/dbraw/zinc/04/91/31/589049131.db2.gz UDIYZAOSBXDPCF-UKRRQHHQSA-N 0 3 336.348 0.484 20 5 ECBDHN O=C(Cc1noc([C@]2(F)CCNC2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000843223608 589054868 /nfs/dbraw/zinc/05/48/68/589054868.db2.gz DRAPZPWPPIRPJD-HNNXBMFYSA-N 0 3 349.322 0.995 20 5 ECBDHN CC(COC(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1)[N+](=O)[O-] ZINC000838963468 586831732 /nfs/dbraw/zinc/83/17/32/586831732.db2.gz BHQFIGBTMZRRPU-NXEZZACHSA-N 0 3 329.330 0.820 20 5 ECBDHN O=[N+]([O-])CCNCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000905074987 586869801 /nfs/dbraw/zinc/86/98/01/586869801.db2.gz HPEFFOOSNUZXHR-UHFFFAOYSA-N 0 3 327.406 0.954 20 5 ECBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCCC1 ZINC000808222026 587149818 /nfs/dbraw/zinc/14/98/18/587149818.db2.gz JKJJKJOGYXMRMO-VIFPVBQESA-N 0 3 326.328 0.503 20 5 ECBDHN CC(COC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)[N+](=O)[O-] ZINC000813101948 587248025 /nfs/dbraw/zinc/24/80/25/587248025.db2.gz LRYNRKQGFUHKFW-XIRUVYRFSA-N 0 3 327.337 0.696 20 5 ECBDHN CS(=O)(=O)N1CCC[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818976635 587463123 /nfs/dbraw/zinc/46/31/23/587463123.db2.gz LHQVNRBUIWQAOO-TZMCWYRMSA-N 0 3 343.405 0.642 20 5 ECBDHN COc1c(C)cnc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000818988425 587463296 /nfs/dbraw/zinc/46/32/96/587463296.db2.gz PDJSNYNHEFNQDE-CYBMUJFWSA-N 0 3 335.364 0.962 20 5 ECBDHN C[N@H+](C[C@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000821595090 587604208 /nfs/dbraw/zinc/60/42/08/587604208.db2.gz MIOFLOQXYNICLZ-NSHDSACASA-N 0 3 334.336 0.609 20 5 ECBDHN C[N@@H+](C[C@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000821595090 587604210 /nfs/dbraw/zinc/60/42/10/587604210.db2.gz MIOFLOQXYNICLZ-NSHDSACASA-N 0 3 334.336 0.609 20 5 ECBDHN CN(C)CCN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000844377922 589109931 /nfs/dbraw/zinc/10/99/31/589109931.db2.gz YWKAVOSGRLDFFA-HNNXBMFYSA-N 0 3 336.392 0.334 20 5 ECBDHN COCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853063895 589530642 /nfs/dbraw/zinc/53/06/42/589530642.db2.gz DANHEEDAISEYCV-QMMMGPOBSA-N 0 3 337.174 0.493 20 5 ECBDHN CN1CCN(CC2CN(c3cc(F)c([N+](=O)[O-])cc3CO)C2)CC1 ZINC000865915254 589706564 /nfs/dbraw/zinc/70/65/64/589706564.db2.gz CFEOLNHFSUNBQY-UHFFFAOYSA-N 0 3 338.383 0.910 20 5 ECBDHN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn2cncc2c1 ZINC000973252430 738976491 /nfs/dbraw/zinc/97/64/91/738976491.db2.gz IEHPGANEKHUWTN-HBJVGIJOSA-N 0 3 343.343 0.377 20 5 ECBDHN CCCN(CCNC(=O)CC[NH+](C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101228533 753763720 /nfs/dbraw/zinc/76/37/20/753763720.db2.gz DMPUFVKIJNFTAA-UHFFFAOYSA-N 0 3 339.396 0.980 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000989978086 754616122 /nfs/dbraw/zinc/61/61/22/754616122.db2.gz JGWCAKMBIRAONS-UHFFFAOYSA-N 0 3 333.352 0.446 20 5 ECBDHN Cn1cc(Cl)c(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996428413 757653814 /nfs/dbraw/zinc/65/38/14/757653814.db2.gz BWONMOPSNFCLEE-ZWNOBZJWSA-N 0 3 341.799 0.819 20 5 ECBDHN O=C(NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C12CC[NH+](CC1)C2 ZINC001107277247 758139652 /nfs/dbraw/zinc/13/96/52/758139652.db2.gz ZBHYRZFCXQIXGE-UPHRSURJSA-N 0 3 347.375 0.876 20 5 ECBDHN CC(C)c1nnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1C ZINC001022063849 758226194 /nfs/dbraw/zinc/22/61/94/758226194.db2.gz MORCABMXLQRTQL-WRWGMCAJSA-N 0 3 336.396 0.341 20 5 ECBDHN O=C(N[C@H]1C[C@H](NCc2nc3c(o2)CCCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139522 772206072 /nfs/dbraw/zinc/20/60/72/772206072.db2.gz CQMSULWKPWRCMX-PRULPYPASA-N 0 3 334.376 0.955 20 5 ECBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c(=O)cn1 ZINC001267419152 837385254 /nfs/dbraw/zinc/38/52/54/837385254.db2.gz JNRSEKSMJGNACD-UHFFFAOYSA-N 0 3 331.332 0.540 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000183594017 235154923 /nfs/dbraw/zinc/15/49/23/235154923.db2.gz DHEGARFDEHMNBU-ZDUSSCGKSA-N 0 3 334.376 0.843 20 5 ECBDHN Cc1cc(C)c(S(=O)(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000420474590 209374407 /nfs/dbraw/zinc/37/44/07/209374407.db2.gz FWAHMDGURYCYCA-LLVKDONJSA-N 0 3 329.378 0.478 20 5 ECBDHN CNS(=O)(=O)c1ccc(N2CCNC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000262093137 283640183 /nfs/dbraw/zinc/64/01/83/283640183.db2.gz ICWYQXYBQSSBEX-UHFFFAOYSA-N 0 3 328.394 0.691 20 5 ECBDHN CC(C)NS(=O)(=O)NCCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449281832 211279136 /nfs/dbraw/zinc/27/91/36/211279136.db2.gz FJLFBYLDYILJEM-GFCCVEGCSA-N 0 3 344.437 0.948 20 5 ECBDHN CN(C)CCN(C)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000357128955 299523656 /nfs/dbraw/zinc/52/36/56/299523656.db2.gz REZBIAROMOZJAP-UHFFFAOYSA-N 0 3 330.410 0.843 20 5 ECBDHN NC[C@H]1CCCN1C(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419162974 209007976 /nfs/dbraw/zinc/00/79/76/209007976.db2.gz IIOWTBRDOBQFFP-LLVKDONJSA-N 0 3 340.767 0.814 20 5 ECBDHN CN(C)CCN(Cc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000125807399 296655802 /nfs/dbraw/zinc/65/58/02/296655802.db2.gz ZCUQEOIEJKACEK-UHFFFAOYSA-N 0 3 332.364 0.777 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CNCCO2)cc1C ZINC000261824861 165249693 /nfs/dbraw/zinc/24/96/93/165249693.db2.gz AWZLFSILYPGOQA-NSHDSACASA-N 0 3 329.378 0.478 20 5 ECBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCN([C@H]2CCOC2)CC1 ZINC000301717750 296890062 /nfs/dbraw/zinc/89/00/62/296890062.db2.gz LASMDTZBFFNJFO-NSHDSACASA-N 0 3 335.364 0.754 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](O)CN1CCCCC1 ZINC000160177180 225354731 /nfs/dbraw/zinc/35/47/31/225354731.db2.gz KIMPFWXCMPCJEG-AWEZNQCLSA-N 0 3 337.376 0.937 20 5 ECBDHN C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000269646172 263194447 /nfs/dbraw/zinc/19/44/47/263194447.db2.gz SNXCONJBDQHCQX-QWHCGFSZSA-N 0 3 336.392 0.993 20 5 ECBDHN COc1cc(C(=O)NC[C@](C)(O)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000269875841 263209976 /nfs/dbraw/zinc/20/99/76/263209976.db2.gz GZKVJNPHEFBBIJ-HNNXBMFYSA-N 0 3 341.364 0.654 20 5 ECBDHN CC(C)N1CCN(C2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000270475303 263245294 /nfs/dbraw/zinc/24/52/94/263245294.db2.gz OBBWGTFYXGLUIL-UHFFFAOYSA-N 0 3 349.439 0.962 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000270795307 263273323 /nfs/dbraw/zinc/27/33/23/263273323.db2.gz MRZDDZZWMZQYGS-GHMZBOCLSA-N 0 3 325.369 0.937 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000270795307 263273324 /nfs/dbraw/zinc/27/33/24/263273324.db2.gz MRZDDZZWMZQYGS-GHMZBOCLSA-N 0 3 325.369 0.937 20 5 ECBDHN CN1CC=C(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271765025 263328723 /nfs/dbraw/zinc/32/87/23/263328723.db2.gz ABKBYSHMQPBTCG-UHFFFAOYSA-N 0 3 332.360 0.703 20 5 ECBDHN N[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000282227270 264027716 /nfs/dbraw/zinc/02/77/16/264027716.db2.gz BLBIUUDINQOYOA-INIZCTEOSA-N 0 3 348.403 0.997 20 5 ECBDHN Cc1nn(C)c(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000294524042 265002210 /nfs/dbraw/zinc/00/22/10/265002210.db2.gz FIUZOMFORVIIRU-GHMZBOCLSA-N 0 3 325.369 0.164 20 5 ECBDHN CC(C)(C)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000330714907 437597478 /nfs/dbraw/zinc/59/74/78/437597478.db2.gz SNCFVPFQHBSALB-BFHYXJOUSA-N 0 3 326.397 0.881 20 5 ECBDHN CN(C)CCN1C[C@@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000173898215 289156639 /nfs/dbraw/zinc/15/66/39/289156639.db2.gz VSVNTCFSKGLSBO-AWEZNQCLSA-N 0 3 348.403 0.963 20 5 ECBDHN CN(C)[C@@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000331932666 296983509 /nfs/dbraw/zinc/98/35/09/296983509.db2.gz KMTSDLLOTSTEOQ-GFCCVEGCSA-N 0 3 348.359 0.483 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000337461602 297190177 /nfs/dbraw/zinc/19/01/77/297190177.db2.gz PTVAICSSPOFDPP-MRXNPFEDSA-N 0 3 334.376 0.978 20 5 ECBDHN COCCN1CCC(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000338672954 297288203 /nfs/dbraw/zinc/28/82/03/297288203.db2.gz GSCFFOLTQOVNSP-UHFFFAOYSA-N 0 3 339.396 0.753 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(OCCO)CC2)c1 ZINC000339789760 297386475 /nfs/dbraw/zinc/38/64/75/297386475.db2.gz CBRQMKGMDTTWEH-AWEZNQCLSA-N 0 3 340.376 0.808 20 5 ECBDHN O=C(NCCNc1ccncc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351490925 298766301 /nfs/dbraw/zinc/76/63/01/298766301.db2.gz GFQKCDMUSWQEJA-UHFFFAOYSA-N 0 3 347.306 0.718 20 5 ECBDHN C[C@H]1C[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000353378395 299043824 /nfs/dbraw/zinc/04/38/24/299043824.db2.gz GXLSUCRZOJGAFM-WCQYABFASA-N 0 3 334.376 0.924 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000361826086 300130287 /nfs/dbraw/zinc/13/02/87/300130287.db2.gz RWAVZEGZTJJAFO-GFCCVEGCSA-N 0 3 349.391 0.312 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000377405610 301347728 /nfs/dbraw/zinc/34/77/28/301347728.db2.gz YVDLDGFUEOGJNV-IUCAKERBSA-N 0 3 333.341 0.582 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000390258568 301452402 /nfs/dbraw/zinc/45/24/02/301452402.db2.gz VHKCCRGYKJOYKQ-JTQLQIEISA-N 0 3 349.796 0.905 20 5 ECBDHN CC(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000042230919 436299725 /nfs/dbraw/zinc/29/97/25/436299725.db2.gz GAYQCEUVFVONEC-NSHDSACASA-N 0 3 341.389 0.677 20 5 ECBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000514799988 301618984 /nfs/dbraw/zinc/61/89/84/301618984.db2.gz ZQSCRSYXRRBLER-HONMWMINSA-N 0 3 347.375 0.166 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H](C)O1 ZINC000548420333 302300627 /nfs/dbraw/zinc/30/06/27/302300627.db2.gz JGOPTEVZRBXSSP-PHIMTYICSA-N 0 3 325.369 0.937 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000548420332 302300953 /nfs/dbraw/zinc/30/09/53/302300953.db2.gz JGOPTEVZRBXSSP-GHMZBOCLSA-N 0 3 325.369 0.937 20 5 ECBDHN CC1CCN(C[C@H](O)CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000116448351 436649714 /nfs/dbraw/zinc/64/97/14/436649714.db2.gz ZHYDSAPYFHKTON-CQSZACIVSA-N 0 3 339.396 0.390 20 5 ECBDHN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC(N(C)C)C1 ZINC000273317798 436745938 /nfs/dbraw/zinc/74/59/38/436745938.db2.gz ORTPRCOZWDZQAR-UHFFFAOYSA-N 0 3 344.393 0.527 20 5 ECBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000247127344 436789839 /nfs/dbraw/zinc/78/98/39/436789839.db2.gz NHYIYPOUDXUZQO-GXTWGEPZSA-N 0 3 334.376 0.699 20 5 ECBDHN COC(=O)C1=NOC2(C1)CCN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000274638317 436853676 /nfs/dbraw/zinc/85/36/76/436853676.db2.gz YKALYPIIIMAQAW-UHFFFAOYSA-N 0 3 337.336 0.575 20 5 ECBDHN CCc1[nH]nc(C(=O)N2CCO[C@@H]3CCN(CC)C[C@@H]32)c1[N+](=O)[O-] ZINC000293769754 436907057 /nfs/dbraw/zinc/90/70/57/436907057.db2.gz AUPOASUFSRFAHR-NWDGAFQWSA-N 0 3 337.380 0.816 20 5 ECBDHN COCCCN1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000171122177 436967855 /nfs/dbraw/zinc/96/78/55/436967855.db2.gz VAZKNJUEWHAYAX-UHFFFAOYSA-N 0 3 339.396 0.799 20 5 ECBDHN CCN(CC)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000170379803 436944658 /nfs/dbraw/zinc/94/46/58/436944658.db2.gz RFACWMXXSHPHOT-UHFFFAOYSA-N 0 3 338.364 1.000 20 5 ECBDHN COCCN1CC[C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000264483893 437036368 /nfs/dbraw/zinc/03/63/68/437036368.db2.gz IIYSPGCAZZPRKM-ZDUSSCGKSA-N 0 3 339.396 0.635 20 5 ECBDHN O=C(NC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)C1CC1 ZINC000174730174 437087203 /nfs/dbraw/zinc/08/72/03/437087203.db2.gz HJRIKSRENVPVSW-AWEZNQCLSA-N 0 3 337.380 0.143 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCNC(C)(C)C1 ZINC000175417395 437105504 /nfs/dbraw/zinc/10/55/04/437105504.db2.gz QUYDDJMMSXMMKU-LLVKDONJSA-N 0 3 334.376 0.924 20 5 ECBDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331679370 437143369 /nfs/dbraw/zinc/14/33/69/437143369.db2.gz SHVNCZHSZWHZAS-KBPBESRZSA-N 0 3 346.387 0.988 20 5 ECBDHN O=C([C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)N1CCOCC1 ZINC000176201822 437134642 /nfs/dbraw/zinc/13/46/42/437134642.db2.gz SRXREOVBOLSOGW-CYBMUJFWSA-N 0 3 337.380 0.362 20 5 ECBDHN C[C@@H]1CC[C@H](C(N)=O)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181755274 437330916 /nfs/dbraw/zinc/33/09/16/437330916.db2.gz BYCGSGGSJHLJCP-AGIUHOORSA-N 0 3 337.376 0.920 20 5 ECBDHN COCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000184211639 437398403 /nfs/dbraw/zinc/39/84/03/437398403.db2.gz AGWJEICYJGBJBI-UHFFFAOYSA-N 0 3 337.380 0.803 20 5 ECBDHN CC(C)[C@](C)(NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000289336026 437400805 /nfs/dbraw/zinc/40/08/05/437400805.db2.gz LHIWEGMGYHZTDW-NHYWBVRUSA-N 0 3 325.365 0.824 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H]1COC[C@@H]1OC ZINC000290213125 437471873 /nfs/dbraw/zinc/47/18/73/437471873.db2.gz VJFPKDSLJCQHJM-JSGCOSHPSA-N 0 3 339.348 0.935 20 5 ECBDHN COc1cc(CCNC(=O)[C@@H](CN)OC)c([N+](=O)[O-])cc1OC ZINC000289715109 437436398 /nfs/dbraw/zinc/43/63/98/437436398.db2.gz UMHWLENEZWDGDR-CYBMUJFWSA-N 0 3 327.337 0.244 20 5 ECBDHN Cc1cn[nH]c1CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000289753485 437439686 /nfs/dbraw/zinc/43/96/86/437439686.db2.gz FMDONKJQTDBGTR-UHFFFAOYSA-N 0 3 339.377 0.694 20 5 ECBDHN CS[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000290941556 437544241 /nfs/dbraw/zinc/54/42/41/437544241.db2.gz LLXQMMUBYLUVFX-NXEZZACHSA-N 0 3 325.394 0.571 20 5 ECBDHN CN1CCN(CCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1(C)C ZINC000291146875 437564784 /nfs/dbraw/zinc/56/47/84/437564784.db2.gz OPPVVNYFCVUCGW-UHFFFAOYSA-N 0 3 336.396 0.527 20 5 ECBDHN CN(C)CCN1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000193167202 437703965 /nfs/dbraw/zinc/70/39/65/437703965.db2.gz YIOJSLMPMYPOMU-UHFFFAOYSA-N 0 3 336.392 0.679 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2CCN[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000423606341 437775822 /nfs/dbraw/zinc/77/58/22/437775822.db2.gz KCOFPSOUTDTOFL-VXGBXAGGSA-N 0 3 334.376 0.842 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2[C@@H](CO)CC[C@H]2CO)c1 ZINC000347276894 437864350 /nfs/dbraw/zinc/86/43/50/437864350.db2.gz OGYNNQXMHYZWMR-HZSPNIEDSA-N 0 3 326.349 0.152 20 5 ECBDHN C[C@H]1CN(CCCCNC(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000347428716 437887483 /nfs/dbraw/zinc/88/74/83/437887483.db2.gz MINIYLBZTWJCRR-RYUDHWBXSA-N 0 3 339.396 0.948 20 5 ECBDHN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000357644994 438034229 /nfs/dbraw/zinc/03/42/29/438034229.db2.gz DZZCUOUBTPLJTG-UHFFFAOYSA-N 0 3 336.392 0.922 20 5 ECBDHN O=C(C[C@H]1CNCCO1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000430773175 438121274 /nfs/dbraw/zinc/12/12/74/438121274.db2.gz RBGCENJAYLGDOL-AAEUAGOBSA-N 0 3 335.364 0.381 20 5 ECBDHN C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H]1CN ZINC000418923037 438250406 /nfs/dbraw/zinc/25/04/06/438250406.db2.gz LZNJQKBKSLEZKC-WFASDCNBSA-N 0 3 348.403 0.839 20 5 ECBDHN COC(=O)[C@H](C)NC(=O)c1ccc(NCCN(C)C)c([N+](=O)[O-])c1 ZINC000351634116 438309899 /nfs/dbraw/zinc/30/98/99/438309899.db2.gz ZNOHBECULJIOOE-JTQLQIEISA-N 0 3 338.364 0.860 20 5 ECBDHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420435383 438407829 /nfs/dbraw/zinc/40/78/29/438407829.db2.gz GPPUFKGMBUZGBQ-YUMQZZPRSA-N 0 3 331.350 0.380 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@H]2Cn2ccnn2)c1 ZINC000369379697 438462749 /nfs/dbraw/zinc/46/27/49/438462749.db2.gz NYZSYUSGBOYTDM-JSGCOSHPSA-N 0 3 335.368 0.298 20 5 ECBDHN CN1CC[NH2+]C[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000394104212 438446824 /nfs/dbraw/zinc/44/68/24/438446824.db2.gz RJPWWCREZVMLPX-SNVBAGLBSA-N 0 3 348.812 0.430 20 5 ECBDHN C[NH2+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440333068 438544980 /nfs/dbraw/zinc/54/49/80/438544980.db2.gz BMQSDZNSRGQLTO-UHFFFAOYSA-N 0 3 338.183 0.855 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000588866232 438845898 /nfs/dbraw/zinc/84/58/98/438845898.db2.gz IPBOYPBLRVUQPB-LLVKDONJSA-N 0 3 333.348 0.433 20 5 ECBDHN CS(=O)(=O)C1(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000577603591 438855154 /nfs/dbraw/zinc/85/51/54/438855154.db2.gz OCBBGWCRNWANGY-GFCCVEGCSA-N 0 3 344.389 0.501 20 5 ECBDHN NC[C@@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000577833255 438874541 /nfs/dbraw/zinc/87/45/41/438874541.db2.gz ITTXSGXGNCHPQB-CQSZACIVSA-N 0 3 334.376 0.845 20 5 ECBDHN COc1cc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc([N+](=O)[O-])c1C ZINC000595946886 438893484 /nfs/dbraw/zinc/89/34/84/438893484.db2.gz JUIJFQHWTXTFHX-UHFFFAOYSA-N 0 3 347.331 0.796 20 5 ECBDHN CN1CCN(CC2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590399635 438918427 /nfs/dbraw/zinc/91/84/27/438918427.db2.gz LRHMZAZYRNOYDG-UHFFFAOYSA-N 0 3 332.404 0.843 20 5 ECBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCOC2(CNC2)C1 ZINC000596097280 438924331 /nfs/dbraw/zinc/92/43/31/438924331.db2.gz DJZCALXCXMRGFZ-UHFFFAOYSA-N 0 3 334.376 0.988 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNCC1(O)CCS(=O)(=O)CC1 ZINC000578859569 438959036 /nfs/dbraw/zinc/95/90/36/438959036.db2.gz DRMYZUFWPUGTAU-UHFFFAOYSA-N 0 3 344.389 0.633 20 5 ECBDHN CCN[C@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000602444747 439088835 /nfs/dbraw/zinc/08/88/35/439088835.db2.gz NXXKZXMJSJFBRC-SNVBAGLBSA-N 0 3 340.405 0.939 20 5 ECBDHN O=C(CNC[C@@H]1CCCO1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000580422354 439089497 /nfs/dbraw/zinc/08/94/97/439089497.db2.gz AFYYEKBNTRVJCT-ZDUSSCGKSA-N 0 3 337.380 0.723 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567754045 439173491 /nfs/dbraw/zinc/17/34/91/439173491.db2.gz PBJFUJOJIXUOCP-WDEREUQCSA-N 0 3 349.347 0.379 20 5 ECBDHN COc1c(C(=O)N2CC(CN3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000597693946 439162390 /nfs/dbraw/zinc/16/23/90/439162390.db2.gz HBGHGABMDPLQLA-UHFFFAOYSA-N 0 3 348.403 0.923 20 5 ECBDHN CC[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000490000765 439250033 /nfs/dbraw/zinc/25/00/33/439250033.db2.gz PXDBJBHYJNXNEI-VIFPVBQESA-N 0 3 326.378 0.678 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)n1 ZINC000592875583 439294854 /nfs/dbraw/zinc/29/48/54/439294854.db2.gz ZHFVHPPMLCNUTR-JTQLQIEISA-N 0 3 338.368 0.003 20 5 ECBDHN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H](F)CN1 ZINC000598663923 439298589 /nfs/dbraw/zinc/29/85/89/439298589.db2.gz BTOQYXUNUVSEKC-ONGXEEELSA-N 0 3 339.327 0.533 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000583133216 439424206 /nfs/dbraw/zinc/42/42/06/439424206.db2.gz ZYKOUPUTCUWQEZ-ZDUSSCGKSA-N 0 3 337.380 0.388 20 5 ECBDHN CN(C(=O)CN1CCN2C[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000594026467 439509917 /nfs/dbraw/zinc/50/99/17/439509917.db2.gz DAHHCPRSEOSXGY-LSDHHAIUSA-N 0 3 334.376 0.308 20 5 ECBDHN O=C(NCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000583512809 439475654 /nfs/dbraw/zinc/47/56/54/439475654.db2.gz BIHVNMBWZMHUCP-ZDUSSCGKSA-N 0 3 349.343 0.947 20 5 ECBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594393455 439554319 /nfs/dbraw/zinc/55/43/19/439554319.db2.gz NLYKGNGMMCPUJV-NWDGAFQWSA-N 0 3 330.344 0.967 20 5 ECBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939521 439581503 /nfs/dbraw/zinc/58/15/03/439581503.db2.gz WGZOUHXANGXFSU-MNOVXSKESA-N 0 3 337.380 0.722 20 5 ECBDHN CN1CCN(C)[C@@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000573597864 439655208 /nfs/dbraw/zinc/65/52/08/439655208.db2.gz WZRBOQNXLRDDRC-LSDHHAIUSA-N 0 3 338.408 0.170 20 5 ECBDHN C[C@@H]1C[C@@H]1N1C[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000573676838 439660425 /nfs/dbraw/zinc/66/04/25/439660425.db2.gz RIZGKOKWNIAQHG-COMQUAJESA-N 0 3 349.387 0.933 20 5 ECBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCC1 ZINC000610969071 439663727 /nfs/dbraw/zinc/66/37/27/439663727.db2.gz KCJLZIXKIVPLGF-CYBMUJFWSA-N 0 3 334.376 0.843 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000574340547 439700413 /nfs/dbraw/zinc/70/04/13/439700413.db2.gz JJWXMRBNHBAGPX-NWDGAFQWSA-N 0 3 347.375 0.987 20 5 ECBDHN CCN(CCN)C(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000600798771 439704324 /nfs/dbraw/zinc/70/43/24/439704324.db2.gz UZTGXYSJZDQGGP-UHFFFAOYSA-N 0 3 334.376 0.893 20 5 ECBDHN CNc1nccc(C(=O)NCCN(C)CCCOC)c1[N+](=O)[O-] ZINC000574170265 439689854 /nfs/dbraw/zinc/68/98/54/439689854.db2.gz KRSFERQPDZMROC-UHFFFAOYSA-N 0 3 325.369 0.730 20 5 ECBDHN COCCCN1CCC(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000339706603 321000613 /nfs/dbraw/zinc/00/06/13/321000613.db2.gz HZMQATNXUXWREH-UHFFFAOYSA-N 0 3 339.396 0.867 20 5 ECBDHN CN(C)CCOCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000345949331 321209635 /nfs/dbraw/zinc/20/96/35/321209635.db2.gz FHWRTWKZLWYRRK-UHFFFAOYSA-N 0 3 339.348 0.674 20 5 ECBDHN CCc1n[n-]c(C(=O)N[C@H](C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000347119391 321231862 /nfs/dbraw/zinc/23/18/62/321231862.db2.gz WVYKTOXHKTUOCF-SNVBAGLBSA-N 0 3 325.369 0.721 20 5 ECBDHN C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N(C)C ZINC000347245791 321235315 /nfs/dbraw/zinc/23/53/15/321235315.db2.gz IJZSYGSLUBSYFA-GHMZBOCLSA-N 0 3 338.364 0.859 20 5 ECBDHN COC(=O)COc1ccc(CNCC2(CO)COC2)cc1[N+](=O)[O-] ZINC000353239640 321386901 /nfs/dbraw/zinc/38/69/01/321386901.db2.gz XFTBUJPZARJKEU-UHFFFAOYSA-N 0 3 340.332 0.245 20 5 ECBDHN COC(=O)COc1ccc(CN[C@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000353770090 321413934 /nfs/dbraw/zinc/41/39/34/321413934.db2.gz REWXROWIQGTCNP-SECBINFHSA-N 0 3 325.321 0.500 20 5 ECBDHN N[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccc(F)cc1 ZINC000368422759 321727817 /nfs/dbraw/zinc/72/78/17/321727817.db2.gz RWSOEHOBHHTHSP-UONOGXRCSA-N 0 3 333.323 0.884 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000532792771 322061371 /nfs/dbraw/zinc/06/13/71/322061371.db2.gz AWCPMLJFPUSALO-OAHLLOKOSA-N 0 3 340.380 0.585 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563976864 322356875 /nfs/dbraw/zinc/35/68/75/322356875.db2.gz PMVGHDAZPXHGEG-NWDGAFQWSA-N 0 3 333.348 0.679 20 5 ECBDHN CCN(C)C(=O)[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578127829 322855598 /nfs/dbraw/zinc/85/55/98/322855598.db2.gz RCVIQCSQCSUIJF-VXGBXAGGSA-N 0 3 325.365 0.791 20 5 ECBDHN CCN1CCN(CCNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000190166965 529146097 /nfs/dbraw/zinc/14/60/97/529146097.db2.gz FIZSWPAQHDRFGF-UHFFFAOYSA-N 0 3 337.380 0.826 20 5 ECBDHN CC(C)(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)n1cc([N+](=O)[O-])cn1 ZINC000726531580 578142991 /nfs/dbraw/zinc/14/29/91/578142991.db2.gz LXCUHJQPSKKFCD-DGCLKSJQSA-N 0 3 337.380 0.506 20 5 ECBDHN CCN1CCC[C@@H]1CNC(=S)NCCn1cc([N+](=O)[O-])cn1 ZINC000768480437 579126619 /nfs/dbraw/zinc/12/66/19/579126619.db2.gz RFSJEUWOTKLVBY-LLVKDONJSA-N 0 3 326.426 0.740 20 5 ECBDHN C[C@H](OC(=O)C1CCN(C)C1=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000772505192 579208617 /nfs/dbraw/zinc/20/86/17/579208617.db2.gz BKZMNFRARPDYSY-VHSXEESVSA-N 0 3 335.316 0.943 20 5 ECBDHN COCCNCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841202919 588981892 /nfs/dbraw/zinc/98/18/92/588981892.db2.gz IVMRJERCRVITJD-UHFFFAOYSA-N 0 3 344.755 0.539 20 5 ECBDHN Cn1cc([C@H](O)CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000843091858 589050042 /nfs/dbraw/zinc/05/00/42/589050042.db2.gz LYGOHJBUYGRVJU-CQSZACIVSA-N 0 3 333.348 0.980 20 5 ECBDHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112760 587248383 /nfs/dbraw/zinc/24/83/83/587248383.db2.gz KMRQZXJALDGDRM-QWRGUYRKSA-N 0 3 330.362 0.870 20 5 ECBDHN CNC(=O)COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813109181 587248571 /nfs/dbraw/zinc/24/85/71/587248571.db2.gz PBKSJMLNMWDXQG-VIFPVBQESA-N 0 3 326.305 0.642 20 5 ECBDHN CC(COC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)[N+](=O)[O-] ZINC000813114273 587248856 /nfs/dbraw/zinc/24/88/56/587248856.db2.gz OPVDFNHHCHXPRU-JTQLQIEISA-N 0 3 330.362 0.688 20 5 ECBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819207549 587472074 /nfs/dbraw/zinc/47/20/74/587472074.db2.gz JWZQYNSNLKOVJQ-KKUMJFAQSA-N 0 3 337.376 0.854 20 5 ECBDHN CC(=O)N1C[C@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000821328886 587586006 /nfs/dbraw/zinc/58/60/06/587586006.db2.gz SKXWHWUQGLKZRK-QLFBSQMISA-N 0 3 349.387 0.745 20 5 ECBDHN O=C(CCN[C@H]1CCS(=O)(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000844257284 589105646 /nfs/dbraw/zinc/10/56/46/589105646.db2.gz ZHSZDLGMOGAHOC-JTQLQIEISA-N 0 3 327.362 0.700 20 5 ECBDHN Cc1ccc(NCCCNC(=O)C2=NO[C@@H](CN)C2)c([N+](=O)[O-])c1 ZINC000852846085 589517260 /nfs/dbraw/zinc/51/72/60/589517260.db2.gz QLEVEYBOGJZNOF-LLVKDONJSA-N 0 3 335.364 0.925 20 5 ECBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000852919422 589526100 /nfs/dbraw/zinc/52/61/00/589526100.db2.gz WMWRNZRHQRRTFL-UHFFFAOYSA-N 0 3 346.347 0.545 20 5 ECBDHN CC(COC(=O)c1c(Br)nc2n1CCOC2)[N+](=O)[O-] ZINC000857028266 589684313 /nfs/dbraw/zinc/68/43/13/589684313.db2.gz BBSHXFQIPVQCRN-ZCFIWIBFSA-N 0 3 334.126 0.998 20 5 ECBDHN C[C@@H](NC[C@]12COCCN1C(=O)COC2)c1ccc([N+](=O)[O-])cc1 ZINC000866556026 589750787 /nfs/dbraw/zinc/75/07/87/589750787.db2.gz PPTSFSPPUVJMTM-MLGOLLRUSA-N 0 3 335.360 0.873 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882102731 590516947 /nfs/dbraw/zinc/51/69/47/590516947.db2.gz QWSKZPJHMHLKMK-LBPRGKRZSA-N 0 3 337.355 0.872 20 5 ECBDHN Cc1cc(C(=O)N2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)n[nH]1 ZINC000944876411 610817819 /nfs/dbraw/zinc/81/78/19/610817819.db2.gz RBUINIHRLYLUKK-DGCLKSJQSA-N 0 3 347.375 0.448 20 5 ECBDHN Cc1cncn1CC(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000949165902 611885235 /nfs/dbraw/zinc/88/52/35/611885235.db2.gz WJZYXTJOCUNVDS-ZIAGYGMSSA-N 0 3 349.391 0.212 20 5 ECBDHN CN(C)c1ccncc1C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954240398 612790148 /nfs/dbraw/zinc/79/01/48/612790148.db2.gz PKECDCBXXZAIJY-BXUZGUMPSA-N 0 3 347.375 0.096 20 5 ECBDHN O=C1NCCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C12CNC2 ZINC001164411036 718877891 /nfs/dbraw/zinc/87/78/91/718877891.db2.gz LNLBXXMGOCTVJG-UHFFFAOYSA-N 0 3 347.709 0.466 20 5 ECBDHN COc1ncccc1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002782177 747778116 /nfs/dbraw/zinc/77/81/16/747778116.db2.gz KGISYZRGQMVNBR-ZIAGYGMSSA-N 0 3 334.376 0.836 20 5 ECBDHN CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001105538623 753810122 /nfs/dbraw/zinc/81/01/22/753810122.db2.gz AOBHZOWJJVYSTI-UHFFFAOYSA-N 0 3 339.396 0.932 20 5 ECBDHN CN(CCO)CCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001168337417 754667339 /nfs/dbraw/zinc/66/73/39/754667339.db2.gz FDXJMNYDBXEUGQ-UHFFFAOYSA-N 0 3 339.348 0.362 20 5 ECBDHN CC(C)(C)n1ncnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063723 758225972 /nfs/dbraw/zinc/22/59/72/758225972.db2.gz JAKJKEQPAFDIHQ-WRWGMCAJSA-N 0 3 336.396 0.435 20 5 ECBDHN Cn1ccc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)n1 ZINC001050516439 760411910 /nfs/dbraw/zinc/41/19/10/760411910.db2.gz BEZILUKNSPLCFT-ZIAGYGMSSA-N 0 3 333.392 0.510 20 5 ECBDHN CCN(C(=O)CCc1c[nH]cn1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079964863 777161457 /nfs/dbraw/zinc/16/14/57/777161457.db2.gz NFRMDJNBSUIRDU-CHWSQXEVSA-N 0 3 335.364 0.067 20 5 ECBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CCc1nnc[nH]1 ZINC001267361389 837251757 /nfs/dbraw/zinc/25/17/57/837251757.db2.gz YRHCQOJRUPCDOI-UHFFFAOYSA-N 0 3 332.364 0.894 20 5 ECBDHN Cn1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(=O)n(C)c1=O ZINC000425966578 210125776 /nfs/dbraw/zinc/12/57/76/210125776.db2.gz XMFIYAIPAYYFCD-UHFFFAOYSA-N 0 3 348.363 0.026 20 5 ECBDHN COc1c(F)cc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000420485032 209374812 /nfs/dbraw/zinc/37/48/12/209374812.db2.gz YZNXYXFCAWVCDG-QMMMGPOBSA-N 0 3 349.340 0.009 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCN2C)c1C ZINC000420463991 209372210 /nfs/dbraw/zinc/37/22/10/209372210.db2.gz XDQDVQQZKJIBKV-GFCCVEGCSA-N 0 3 342.421 0.394 20 5 ECBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000420020363 209278619 /nfs/dbraw/zinc/27/86/19/209278619.db2.gz SEDCCQXMWGPRHZ-OAHLLOKOSA-N 0 3 339.348 0.756 20 5 ECBDHN Cc1nn(C)c(NCCCN2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000265164265 247262237 /nfs/dbraw/zinc/26/22/37/247262237.db2.gz WSWXKMSAUDMRJO-LBPRGKRZSA-N 0 3 338.412 0.991 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CO)[C@H]2CCCO2)c1 ZINC000447922340 211218713 /nfs/dbraw/zinc/21/87/13/211218713.db2.gz OSGNIPQQAREULX-VHDGCEQUSA-N 0 3 326.349 0.464 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000443676598 211031106 /nfs/dbraw/zinc/03/11/06/211031106.db2.gz VZKYHUYMMGCWGJ-TXEJJXNPSA-N 0 3 340.384 0.192 20 5 ECBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000357303389 299560116 /nfs/dbraw/zinc/56/01/16/299560116.db2.gz IEXPDBYWURNGKP-CYBMUJFWSA-N 0 3 348.363 0.614 20 5 ECBDHN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428819222 210286054 /nfs/dbraw/zinc/28/60/54/210286054.db2.gz HCCLYWPIQOAGST-AWEZNQCLSA-N 0 3 345.359 0.997 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](Cn2ccnn2)C1 ZINC000090588795 164638140 /nfs/dbraw/zinc/63/81/40/164638140.db2.gz RZDVVVDLMNNLCS-ZDUSSCGKSA-N 0 3 332.364 0.760 20 5 ECBDHN NC(=O)[C@]1(O)CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000285202969 264290332 /nfs/dbraw/zinc/29/03/32/264290332.db2.gz WSSBGEVNXKUHRK-INIZCTEOSA-N 0 3 346.343 0.714 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286149250 264375278 /nfs/dbraw/zinc/37/52/78/264375278.db2.gz INBZYMIDYSLKLK-CQSZACIVSA-N 0 3 333.392 0.920 20 5 ECBDHN C[C@@H](CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N(C)C ZINC000455442695 277582138 /nfs/dbraw/zinc/58/21/38/277582138.db2.gz GTRUXHIAMWIXHH-LBPRGKRZSA-N 0 3 336.396 0.772 20 5 ECBDHN CN(C)C1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000114211150 289059126 /nfs/dbraw/zinc/05/91/26/289059126.db2.gz GCOYBMRSBBKOKX-UHFFFAOYSA-N 0 3 343.405 0.984 20 5 ECBDHN CN(C)CCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000431622796 289163925 /nfs/dbraw/zinc/16/39/25/289163925.db2.gz QDMHMAJBPBROMS-UHFFFAOYSA-N 0 3 334.332 0.540 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000345021139 298108273 /nfs/dbraw/zinc/10/82/73/298108273.db2.gz UQXMAUYKAJOUMX-INIZCTEOSA-N 0 3 337.376 0.855 20 5 ECBDHN CN(C)CCOc1cnccc1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000345284586 298139909 /nfs/dbraw/zinc/13/99/09/298139909.db2.gz VLAQQSKESAEJSP-UHFFFAOYSA-N 0 3 348.363 0.443 20 5 ECBDHN CN1CCC(O)(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000362870077 300229324 /nfs/dbraw/zinc/22/93/24/300229324.db2.gz ZHGPJWGQNULSGT-UHFFFAOYSA-N 0 3 343.330 0.988 20 5 ECBDHN Cc1noc(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000075646105 436168428 /nfs/dbraw/zinc/16/84/28/436168428.db2.gz JOXDXHUDRPBUBC-CYBMUJFWSA-N 0 3 336.352 0.723 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000394826737 301453531 /nfs/dbraw/zinc/45/35/31/301453531.db2.gz XJLGRPVMRWFACX-MRVPVSSYSA-N 0 3 339.320 0.864 20 5 ECBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000042590983 436309799 /nfs/dbraw/zinc/30/97/99/436309799.db2.gz RYXXYYZXIGIPMW-UHFFFAOYSA-N 0 3 336.392 0.971 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1CN1CCOCC1 ZINC000090550907 436432580 /nfs/dbraw/zinc/43/25/80/436432580.db2.gz RSXZTALDGVBCGF-AWEZNQCLSA-N 0 3 336.392 0.553 20 5 ECBDHN CC(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000048305526 436448893 /nfs/dbraw/zinc/44/88/93/436448893.db2.gz PURNJBWBWRBSQJ-LLVKDONJSA-N 0 3 341.389 0.677 20 5 ECBDHN CN1CCC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048402492 436452990 /nfs/dbraw/zinc/45/29/90/436452990.db2.gz XFWYHLLTLGTDSN-UHFFFAOYSA-N 0 3 348.359 0.531 20 5 ECBDHN CCS(=O)(=O)C[C@@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520569014 301775048 /nfs/dbraw/zinc/77/50/48/301775048.db2.gz PANQKWBAQIFIKW-YPMHNXCESA-N 0 3 346.405 0.747 20 5 ECBDHN CN(C)CCN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000053694676 436538613 /nfs/dbraw/zinc/53/86/13/436538613.db2.gz ABZJHHJYQJRILS-UHFFFAOYSA-N 0 3 336.392 0.679 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000545154493 302231230 /nfs/dbraw/zinc/23/12/30/302231230.db2.gz OHHKMIFJUSWLRT-HNNXBMFYSA-N 0 3 337.332 0.162 20 5 ECBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(CC2CCCCC2)CC1 ZINC000064126045 436648219 /nfs/dbraw/zinc/64/82/19/436648219.db2.gz CUKSXLFTQJLQBY-UHFFFAOYSA-N 0 3 336.396 0.911 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(Cn3ccnn3)CC2)c1 ZINC000156139745 436810604 /nfs/dbraw/zinc/81/06/04/436810604.db2.gz TXFYPSJBNAFLDX-AWEZNQCLSA-N 0 3 335.368 0.156 20 5 ECBDHN COC1CCN(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000161550243 436894122 /nfs/dbraw/zinc/89/41/22/436894122.db2.gz OSVFDALCPBUUTQ-UHFFFAOYSA-N 0 3 340.384 0.201 20 5 ECBDHN Cc1nn(C)c(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000161860692 436897900 /nfs/dbraw/zinc/89/79/00/436897900.db2.gz IUVLGMUEVKHKNO-GFCCVEGCSA-N 0 3 336.396 0.555 20 5 ECBDHN COCCCN1CCC(NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000263712773 436980622 /nfs/dbraw/zinc/98/06/22/436980622.db2.gz DRGRGOUBCMQZOM-UHFFFAOYSA-N 0 3 325.369 0.857 20 5 ECBDHN CS[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275155498 436932850 /nfs/dbraw/zinc/93/28/50/436932850.db2.gz SXNLXLXVTNDBFC-JQWIXIFHSA-N 0 3 339.421 0.980 20 5 ECBDHN CN1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298111449 437027624 /nfs/dbraw/zinc/02/76/24/437027624.db2.gz YMVOQBLEQSRGGM-UHFFFAOYSA-N 0 3 334.376 0.879 20 5 ECBDHN CN1CCC[C@]2(CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000297141698 437006236 /nfs/dbraw/zinc/00/62/36/437006236.db2.gz CMWIRXORURDBHX-HNNXBMFYSA-N 0 3 336.396 0.919 20 5 ECBDHN NC(=O)C[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000175204097 437096974 /nfs/dbraw/zinc/09/69/74/437096974.db2.gz MCSQZSXVCFMDKG-OCCSQVGLSA-N 0 3 337.376 0.922 20 5 ECBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000286539342 437098679 /nfs/dbraw/zinc/09/86/79/437098679.db2.gz WMKYZVZKEHOGNE-JSGCOSHPSA-N 0 3 337.380 0.503 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000316897375 437189999 /nfs/dbraw/zinc/18/99/99/437189999.db2.gz DHJYCEZMEDGKTB-LBPRGKRZSA-N 0 3 328.394 0.167 20 5 ECBDHN O=[N+]([O-])c1ccn(CCN(CCO)CCOCC(F)(F)F)n1 ZINC000267051727 437285797 /nfs/dbraw/zinc/28/57/97/437285797.db2.gz GIJIPONGSMEWBG-UHFFFAOYSA-N 0 3 326.275 0.665 20 5 ECBDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267113677 437291800 /nfs/dbraw/zinc/29/18/00/437291800.db2.gz YFTXXUCWQWVPIY-CHWSQXEVSA-N 0 3 339.396 0.654 20 5 ECBDHN CC(C)(C)[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000182156160 437340541 /nfs/dbraw/zinc/34/05/41/437340541.db2.gz INAOHBAFDZRONT-GWCFXTLKSA-N 0 3 325.365 0.824 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]C[C@H](C)[NH+](CC)CC)c([N+](=O)[O-])n1 ZINC000359927491 437486600 /nfs/dbraw/zinc/48/66/00/437486600.db2.gz WAOJFOJRRPEYSH-JTQLQIEISA-N 0 3 333.414 0.820 20 5 ECBDHN C[C@@H](O)CN(CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000289824682 437442550 /nfs/dbraw/zinc/44/25/50/437442550.db2.gz OIGKMDBIJJFDIT-SNVBAGLBSA-N 0 3 329.328 0.738 20 5 ECBDHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187720292 437512397 /nfs/dbraw/zinc/51/23/97/437512397.db2.gz UUWJCTIDAWXJNF-CYBMUJFWSA-N 0 3 336.392 0.922 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291790498 437627836 /nfs/dbraw/zinc/62/78/36/437627836.db2.gz MRMVRTLSROKOLY-IRXDYDNUSA-N 0 3 346.387 0.788 20 5 ECBDHN CN1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000192921121 437696246 /nfs/dbraw/zinc/69/62/46/437696246.db2.gz QETFNQGYUVPNDN-BETUJISGSA-N 0 3 325.390 0.918 20 5 ECBDHN O=C(CNC(=O)c1[nH]ncc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000356452047 437766974 /nfs/dbraw/zinc/76/69/74/437766974.db2.gz HVXKUYRMSNFHGI-UHFFFAOYSA-N 0 3 338.368 0.040 20 5 ECBDHN COC1CC(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000347352620 437877569 /nfs/dbraw/zinc/87/75/69/437877569.db2.gz FQMCHHVWSQMPMQ-UHFFFAOYSA-N 0 3 329.378 0.640 20 5 ECBDHN N[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1cccc(F)c1 ZINC000424014701 437879340 /nfs/dbraw/zinc/87/93/40/437879340.db2.gz VXOQEYKNVXVYKI-UONOGXRCSA-N 0 3 333.323 0.884 20 5 ECBDHN COC1CC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000347409775 437883646 /nfs/dbraw/zinc/88/36/46/437883646.db2.gz JEIBAQBNFBHYMF-UHFFFAOYSA-N 0 3 329.378 0.640 20 5 ECBDHN CN(C[C@H](O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C1CC1 ZINC000357433039 437985276 /nfs/dbraw/zinc/98/52/76/437985276.db2.gz CMUFUDYQCFDZLB-ZDUSSCGKSA-N 0 3 334.332 0.867 20 5 ECBDHN CS[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000342543606 438027537 /nfs/dbraw/zinc/02/75/37/438027537.db2.gz KFRCZRPKRIZKJQ-RWMBFGLXSA-N 0 3 329.426 0.130 20 5 ECBDHN C[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000357865761 438086435 /nfs/dbraw/zinc/08/64/35/438086435.db2.gz SOEUGMOUYUAJJP-JTQLQIEISA-N 0 3 336.348 0.387 20 5 ECBDHN CCN1CCN(CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000357896052 438093380 /nfs/dbraw/zinc/09/33/80/438093380.db2.gz SXAQVUXZDPZOTA-UHFFFAOYSA-N 0 3 338.412 0.325 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000358052797 438133507 /nfs/dbraw/zinc/13/35/07/438133507.db2.gz UWDHQRGPRKCEEP-INIZCTEOSA-N 0 3 345.359 0.577 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000358056723 438135205 /nfs/dbraw/zinc/13/52/05/438135205.db2.gz AYTBCCKLKJPSDL-MRXNPFEDSA-N 0 3 345.359 0.577 20 5 ECBDHN CC(C(=O)NC(=O)NC1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358414731 438221632 /nfs/dbraw/zinc/22/16/32/438221632.db2.gz LMUPUWRMANWUIB-QMMMGPOBSA-N 0 3 341.345 0.745 20 5 ECBDHN CN1CCN(CC2(C)CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000374927215 438237834 /nfs/dbraw/zinc/23/78/34/438237834.db2.gz LVUUBEQAACVFRD-UHFFFAOYSA-N 0 3 349.439 0.821 20 5 ECBDHN Nc1nccc([C@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000368455289 438330573 /nfs/dbraw/zinc/33/05/73/438330573.db2.gz OCHMDPOAUSZNAI-WCQYABFASA-N 0 3 347.379 0.404 20 5 ECBDHN CN(C[C@@H]1CCCN1C)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000420638409 438416958 /nfs/dbraw/zinc/41/69/58/438416958.db2.gz PVAAKAABUNWWRS-JTQLQIEISA-N 0 3 328.394 0.773 20 5 ECBDHN C[C@@]1(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)NC(=O)NC1=O ZINC000437875621 438457027 /nfs/dbraw/zinc/45/70/27/438457027.db2.gz WHOZUDHELDUQBV-AWEZNQCLSA-N 0 3 336.352 0.101 20 5 ECBDHN COc1c(C(=O)N2CCN(CCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000353795472 438536557 /nfs/dbraw/zinc/53/65/57/438536557.db2.gz WNWWBWWLPJOKRE-UHFFFAOYSA-N 0 3 336.392 0.923 20 5 ECBDHN Cc1c(NC(=O)C(=O)NCCOCCN(C)C)cccc1[N+](=O)[O-] ZINC000441833812 438592370 /nfs/dbraw/zinc/59/23/70/438592370.db2.gz PINYLJYSHZYCHT-UHFFFAOYSA-N 0 3 338.364 0.536 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(CCO)Cc2cccc(F)c2)c1 ZINC000494254635 438683161 /nfs/dbraw/zinc/68/31/61/438683161.db2.gz SWCFEJAIUNJJGN-OAHLLOKOSA-N 0 3 338.339 0.786 20 5 ECBDHN CCS(=O)(=O)C[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575174862 438740529 /nfs/dbraw/zinc/74/05/29/438740529.db2.gz WYMVUIBXCWOPJN-VXGBXAGGSA-N 0 3 346.405 0.747 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588863011 438845754 /nfs/dbraw/zinc/84/57/54/438845754.db2.gz NUMSCPMEDZWRNJ-STQMWFEESA-N 0 3 337.380 0.157 20 5 ECBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)CN(C)C)cc1OC ZINC000588864252 438846046 /nfs/dbraw/zinc/84/60/46/438846046.db2.gz CPSHSMXRLQJMED-JTQLQIEISA-N 0 3 341.364 0.654 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CO)CN1CCCC1 ZINC000588866819 438846056 /nfs/dbraw/zinc/84/60/56/438846056.db2.gz ASRCILGDMWFTEE-GFCCVEGCSA-N 0 3 325.369 0.063 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590369297 438914105 /nfs/dbraw/zinc/91/41/05/438914105.db2.gz BHYGFEHVDYCRPP-LLVKDONJSA-N 0 3 333.348 0.433 20 5 ECBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000578346207 438917741 /nfs/dbraw/zinc/91/77/41/438917741.db2.gz RKRVWFWYEVGJKI-UHFFFAOYSA-N 0 3 341.368 0.663 20 5 ECBDHN Nc1ccc(N2CCN(C(=O)CN3CCCC3)CC2)nc1[N+](=O)[O-] ZINC000596111957 438927625 /nfs/dbraw/zinc/92/76/25/438927625.db2.gz FOJKXOLZCJQEKR-UHFFFAOYSA-N 0 3 334.380 0.316 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccnc(-n3cccn3)c2)c1 ZINC000566106669 439006738 /nfs/dbraw/zinc/00/67/38/439006738.db2.gz WSXSHKUZQUCAGJ-CQSZACIVSA-N 0 3 343.347 0.523 20 5 ECBDHN CCNC(=O)c1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000580064046 439059172 /nfs/dbraw/zinc/05/91/72/439059172.db2.gz IEAQHMNKOQOABX-OAHLLOKOSA-N 0 3 347.375 0.692 20 5 ECBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H](F)CN1 ZINC000591685965 439059596 /nfs/dbraw/zinc/05/95/96/439059596.db2.gz FHTWSMGWCHHFJF-RYUDHWBXSA-N 0 3 338.339 0.531 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCOCCN(C)C ZINC000471647642 439089006 /nfs/dbraw/zinc/08/90/06/439089006.db2.gz QYIBJJRPLMYXAA-UHFFFAOYSA-N 0 3 347.393 0.460 20 5 ECBDHN CCS(=O)(=O)C[C@@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520569012 439089592 /nfs/dbraw/zinc/08/95/92/439089592.db2.gz PANQKWBAQIFIKW-DGCLKSJQSA-N 0 3 346.405 0.747 20 5 ECBDHN NC[C@H]1c2ccccc2CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000580775194 439129052 /nfs/dbraw/zinc/12/90/52/439129052.db2.gz QZDDJXDQUXAYHF-AWEZNQCLSA-N 0 3 342.355 0.841 20 5 ECBDHN CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000602873254 439150409 /nfs/dbraw/zinc/15/04/09/439150409.db2.gz IFYBQYYCDACHKW-KGLIPLIRSA-N 0 3 325.413 0.814 20 5 ECBDHN CC(C)N1C[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000567682370 439163682 /nfs/dbraw/zinc/16/36/82/439163682.db2.gz OYFZEAGVFUZRAY-GXTWGEPZSA-N 0 3 337.376 0.933 20 5 ECBDHN NC(=O)[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000581365215 439203083 /nfs/dbraw/zinc/20/30/83/439203083.db2.gz JJONCLCJHYUUKT-MNOVXSKESA-N 0 3 341.389 0.612 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598187603 439237513 /nfs/dbraw/zinc/23/75/13/439237513.db2.gz QREHJOFKLFAJFZ-UHFFFAOYSA-N 0 3 340.355 0.826 20 5 ECBDHN CS[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000582131293 439296823 /nfs/dbraw/zinc/29/68/23/439296823.db2.gz DALRLLAITWBPGB-ZJUUUORDSA-N 0 3 325.394 0.690 20 5 ECBDHN CN1CCC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000604199877 439301160 /nfs/dbraw/zinc/30/11/60/439301160.db2.gz VMYGOSMGNPSWQO-LLVKDONJSA-N 0 3 348.359 0.531 20 5 ECBDHN COCCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593101674 439344067 /nfs/dbraw/zinc/34/40/67/439344067.db2.gz RFVACACHJLRDTQ-AWEZNQCLSA-N 0 3 341.412 0.195 20 5 ECBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599230800 439392904 /nfs/dbraw/zinc/39/29/04/439392904.db2.gz WKNIGGQEFQHXRQ-UHFFFAOYSA-N 0 3 331.398 0.291 20 5 ECBDHN CC[NH+](CC)CCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593576682 439411232 /nfs/dbraw/zinc/41/12/32/439411232.db2.gz RJHSTZSNPAKWDE-UHFFFAOYSA-N 0 3 346.409 0.627 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027992 439508957 /nfs/dbraw/zinc/50/89/57/439508957.db2.gz YIWYWGGLJBJRAS-UONOGXRCSA-N 0 3 334.376 0.593 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594198955 439525726 /nfs/dbraw/zinc/52/57/26/439525726.db2.gz WMEULGDLIZIONK-UONOGXRCSA-N 0 3 334.376 0.890 20 5 ECBDHN CNc1nccc(C(=O)N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000594216666 439528155 /nfs/dbraw/zinc/52/81/55/439528155.db2.gz UVPZWKDNIAHETG-UHFFFAOYSA-N 0 3 342.359 1.389 20 5 ECBDHN CN1CCC[C@@H](N2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)C1 ZINC000594293583 439537641 /nfs/dbraw/zinc/53/76/41/439537641.db2.gz YCPCQUMUYNOFLN-GFCCVEGCSA-N 0 3 348.407 0.424 20 5 ECBDHN CC(=O)NC[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599705607 439540272 /nfs/dbraw/zinc/54/02/72/439540272.db2.gz XQXKEVLCQCXFGK-GXTWGEPZSA-N 0 3 325.369 0.143 20 5 ECBDHN COc1ccc(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594394630 439554595 /nfs/dbraw/zinc/55/45/95/439554595.db2.gz YVGHCSAXGBTOJI-QWHCGFSZSA-N 0 3 335.360 0.423 20 5 ECBDHN COc1cc(OCC(=O)N[C@H](CN)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594451859 439562352 /nfs/dbraw/zinc/56/23/52/439562352.db2.gz QOKOKRSXIZRZJB-SNVBAGLBSA-N 0 3 337.254 0.988 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CN)C(F)(F)F ZINC000594451642 439562659 /nfs/dbraw/zinc/56/26/59/439562659.db2.gz PXWZVJXKCLYCPY-XCBNKYQSSA-N 0 3 348.281 0.719 20 5 ECBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000609307119 439564292 /nfs/dbraw/zinc/56/42/92/439564292.db2.gz QYSUGJWAKJFOBE-ZDUSSCGKSA-N 0 3 335.364 0.477 20 5 ECBDHN Cc1c(Br)c(=O)n(C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000594696988 439590965 /nfs/dbraw/zinc/59/09/65/439590965.db2.gz USBYCNPSVBRLKE-QMMMGPOBSA-N 0 3 332.154 0.816 20 5 ECBDHN Cc1c(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000572735848 439606293 /nfs/dbraw/zinc/60/62/93/439606293.db2.gz FWVVGDGEVXOHIQ-STQMWFEESA-N 0 3 332.360 0.216 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572856911 439613219 /nfs/dbraw/zinc/61/32/19/439613219.db2.gz HTJDQUNAGSIXFO-NEPJUHHUSA-N 0 3 347.375 0.987 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C3(CCC3)C2)nc1 ZINC000595121418 439656448 /nfs/dbraw/zinc/65/64/48/439656448.db2.gz ZYIPHILUSZAQMR-SNVBAGLBSA-N 0 3 326.378 0.943 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000281753057 320600420 /nfs/dbraw/zinc/60/04/20/320600420.db2.gz WANPHKUYWAYVQV-SNVBAGLBSA-N 0 3 338.364 0.998 20 5 ECBDHN C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N(C)C ZINC000347245792 321235346 /nfs/dbraw/zinc/23/53/46/321235346.db2.gz IJZSYGSLUBSYFA-MNOVXSKESA-N 0 3 338.364 0.859 20 5 ECBDHN COc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000368637224 321738870 /nfs/dbraw/zinc/73/88/70/321738870.db2.gz JYBWZLBIBMUWAY-IUCAKERBSA-N 0 3 333.341 0.582 20 5 ECBDHN COC[C@@H](C)OC[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373242235 321802977 /nfs/dbraw/zinc/80/29/77/321802977.db2.gz LMYOSTGYCZHBCG-TZMCWYRMSA-N 0 3 342.396 0.841 20 5 ECBDHN C[C@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000564852036 322399781 /nfs/dbraw/zinc/39/97/81/322399781.db2.gz UPCHJGHCGYZJOX-MNOVXSKESA-N 0 3 332.378 0.357 20 5 ECBDHN NC(=O)[C@@H]1CC[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])O1 ZINC000565359371 322451784 /nfs/dbraw/zinc/45/17/84/322451784.db2.gz VBWLWKSBYJGCPP-MFKMUULPSA-N 0 3 336.348 0.546 20 5 ECBDHN CC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F ZINC000566231789 322515817 /nfs/dbraw/zinc/51/58/17/322515817.db2.gz UDNNZFLOXCBFRQ-UTLUCORTSA-N 0 3 326.275 0.444 20 5 ECBDHN CN(C)CCOc1cnccc1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000569161628 322645416 /nfs/dbraw/zinc/64/54/16/322645416.db2.gz MXSHMKXGJXTHTG-UHFFFAOYSA-N 0 3 334.336 0.583 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000576241913 322804010 /nfs/dbraw/zinc/80/40/10/322804010.db2.gz IUCZWXKPUCTKEV-UONOGXRCSA-N 0 3 332.360 0.298 20 5 ECBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000758165643 579468024 /nfs/dbraw/zinc/46/80/24/579468024.db2.gz PZZBTSFAFJDWQU-CYBMUJFWSA-N 0 3 349.391 0.945 20 5 ECBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000733160140 578332927 /nfs/dbraw/zinc/33/29/27/578332927.db2.gz NYDBAOUCCREMOX-ZDUSSCGKSA-N 0 3 337.380 0.551 20 5 ECBDHN C[N@H+](CCO)C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736801343 578453371 /nfs/dbraw/zinc/45/33/71/578453371.db2.gz IJRXIWZEJTVAHL-UHFFFAOYSA-N 0 3 347.379 0.668 20 5 ECBDHN C[N@@H+](CCO)C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736801343 578453372 /nfs/dbraw/zinc/45/33/72/578453372.db2.gz IJRXIWZEJTVAHL-UHFFFAOYSA-N 0 3 347.379 0.668 20 5 ECBDHN C[N@H+](CCO)C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736801343 578453373 /nfs/dbraw/zinc/45/33/73/578453373.db2.gz IJRXIWZEJTVAHL-UHFFFAOYSA-N 0 3 347.379 0.668 20 5 ECBDHN C[N@@H+](CCO)C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736801343 578453374 /nfs/dbraw/zinc/45/33/74/578453374.db2.gz IJRXIWZEJTVAHL-UHFFFAOYSA-N 0 3 347.379 0.668 20 5 ECBDHN CN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736847689 578456889 /nfs/dbraw/zinc/45/68/89/578456889.db2.gz JCEDXWBFRNLUDP-UHFFFAOYSA-N 0 3 332.368 0.948 20 5 ECBDHN CN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736847689 578456890 /nfs/dbraw/zinc/45/68/90/578456890.db2.gz JCEDXWBFRNLUDP-UHFFFAOYSA-N 0 3 332.368 0.948 20 5 ECBDHN O=[N+]([O-])c1ccc(NC2CC[NH+](CCO)CC2)c(-c2nnn[n-]2)c1 ZINC000738370357 579624745 /nfs/dbraw/zinc/62/47/45/579624745.db2.gz OQOMQSFGYACLCX-UHFFFAOYSA-N 0 3 333.352 0.644 20 5 ECBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738370660 579624773 /nfs/dbraw/zinc/62/47/73/579624773.db2.gz XMKZFZJVUZJCNF-SNVBAGLBSA-N 0 3 330.352 0.844 20 5 ECBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738370660 579624774 /nfs/dbraw/zinc/62/47/74/579624774.db2.gz XMKZFZJVUZJCNF-SNVBAGLBSA-N 0 3 330.352 0.844 20 5 ECBDHN CCC[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCN1 ZINC000895059074 586159073 /nfs/dbraw/zinc/15/90/73/586159073.db2.gz RBCQLMGJJAVWFI-GFCCVEGCSA-N 0 3 336.396 0.800 20 5 ECBDHN C[C@@H](CNCc1cn(C)c(=O)n(C)c1=O)c1ccccc1[N+](=O)[O-] ZINC000897469371 586327576 /nfs/dbraw/zinc/32/75/76/586327576.db2.gz JDEGVSXEBUEQIZ-NSHDSACASA-N 0 3 332.360 0.886 20 5 ECBDHN Cc1cc(NC[C@H]2CC(C(N)=O)=NO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000808042964 587142687 /nfs/dbraw/zinc/14/26/87/587142687.db2.gz DPQDUVZIYBOYML-SNVBAGLBSA-N 0 3 329.316 0.915 20 5 ECBDHN CC(COC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)[N+](=O)[O-] ZINC000813106461 587248390 /nfs/dbraw/zinc/24/83/90/587248390.db2.gz CYXQNNMGUSSUNK-SNVBAGLBSA-N 0 3 335.316 0.960 20 5 ECBDHN CC(COC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[N+](=O)[O-] ZINC000813106792 587248520 /nfs/dbraw/zinc/24/85/20/587248520.db2.gz HVKZGFUEJVJNJN-QFYYESIMSA-N 0 3 347.327 0.588 20 5 ECBDHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000817993601 587395543 /nfs/dbraw/zinc/39/55/43/587395543.db2.gz NGADRCUPRFPDBV-LBPRGKRZSA-N 0 3 349.391 0.049 20 5 ECBDHN NC(=O)C1=NO[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000819254216 587474622 /nfs/dbraw/zinc/47/46/22/587474622.db2.gz UODJMJYRXHEWFN-VIFPVBQESA-N 0 3 335.320 0.143 20 5 ECBDHN CC([C@@H](OC(=O)Cn1ncn(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845876688 589173722 /nfs/dbraw/zinc/17/37/22/589173722.db2.gz NVSGVSRQHGGDMI-NOZJJQNGSA-N 0 3 338.295 0.671 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000849329212 589325795 /nfs/dbraw/zinc/32/57/95/589325795.db2.gz CXPNXVQBNRKSHQ-UTUOFQBUSA-N 0 3 332.307 0.556 20 5 ECBDHN COC(=O)N(C)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000853119805 589532682 /nfs/dbraw/zinc/53/26/82/589532682.db2.gz YRWOZCOODVJOIR-LLVKDONJSA-N 0 3 327.337 0.622 20 5 ECBDHN CN1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000857765344 589704253 /nfs/dbraw/zinc/70/42/53/589704253.db2.gz FJSHVKDONNVPEG-NSHDSACASA-N 0 3 344.318 0.668 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880072492 590365989 /nfs/dbraw/zinc/36/59/89/590365989.db2.gz VYVOCEMYQVSTIH-UONOGXRCSA-N 0 3 348.403 0.983 20 5 ECBDHN CN(CCO)CCN(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000912607909 609977330 /nfs/dbraw/zinc/97/73/30/609977330.db2.gz AFWYIGAAPXKSSO-UHFFFAOYSA-N 0 3 329.328 0.495 20 5 ECBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C2CN(CC3=CCCCC3)C2)CC1 ZINC000941407206 610721949 /nfs/dbraw/zinc/72/19/49/610721949.db2.gz MUSPGQNLUDZLRZ-IAGOWNOFSA-N 0 3 348.447 0.980 20 5 ECBDHN CS[C@H]1CN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000935113883 611843644 /nfs/dbraw/zinc/84/36/44/611843644.db2.gz QUDVYJFKIZMWQV-QWRGUYRKSA-N 0 3 327.410 0.604 20 5 ECBDHN Cc1cc(C(=O)N(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n[nH]1 ZINC000953791897 612278641 /nfs/dbraw/zinc/27/86/41/612278641.db2.gz YGNPWADXGPQDPW-DGCLKSJQSA-N 0 3 335.364 0.446 20 5 ECBDHN CN(C(=O)c1ccn2cncc2c1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954882980 612761700 /nfs/dbraw/zinc/76/17/00/612761700.db2.gz BXHFMDPIDDTFBF-ZIAGYGMSSA-N 0 3 343.343 0.282 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)C(F)F)CC1 ZINC000997452355 743628359 /nfs/dbraw/zinc/62/83/59/743628359.db2.gz ZVDMSHAFQZCMIW-UHFFFAOYSA-N 0 3 331.323 0.922 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)c2cnco2)CC1 ZINC000997952363 743900744 /nfs/dbraw/zinc/90/07/44/743900744.db2.gz LSDYVDDPIPPYCS-UHFFFAOYSA-N 0 3 348.363 0.958 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)c2cnon2)CC1 ZINC000998159478 744016023 /nfs/dbraw/zinc/01/60/23/744016023.db2.gz BEEYCVCNUVGEEZ-UHFFFAOYSA-N 0 3 349.351 0.353 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000984859060 747016115 /nfs/dbraw/zinc/01/61/15/747016115.db2.gz SMXGHVYTVVYWSR-XYPYZODXSA-N 0 3 347.379 0.279 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC000984934819 747138673 /nfs/dbraw/zinc/13/86/73/747138673.db2.gz RHLZUZCINPQBBW-XYPYZODXSA-N 0 3 345.363 0.417 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2ncccn2)C1 ZINC000984944244 747152374 /nfs/dbraw/zinc/15/23/74/747152374.db2.gz LUYBGWLMAVXLSN-XYPYZODXSA-N 0 3 345.363 0.417 20 5 ECBDHN O=C(NCCNCc1ccn(-c2ccccc2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126938684 756792615 /nfs/dbraw/zinc/79/26/15/756792615.db2.gz GTQKRRUALUBGPW-HUUCEWRRSA-N 0 3 329.360 0.743 20 5 ECBDHN CCCCCN1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001107167531 757234478 /nfs/dbraw/zinc/23/44/78/757234478.db2.gz ANTVITJDEPLZNJ-ZIAGYGMSSA-N 0 3 336.396 0.606 20 5 ECBDHN O=C(N[C@H]1C[C@@H](NCc2noc3c2COCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063757 758225951 /nfs/dbraw/zinc/22/59/51/758225951.db2.gz LNEPOJSEKYMUSV-BSTOTGJRSA-N 0 3 336.348 0.149 20 5 ECBDHN O=C(CN1CCCC1=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001019979461 772050374 /nfs/dbraw/zinc/05/03/74/772050374.db2.gz OVYWHYUXTXYIEY-HDJSIYSDSA-N 0 3 346.387 0.954 20 5 ECBDHN O=C(N[C@H]1C[C@H](NCc2nnc3n2CCCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138920 772205544 /nfs/dbraw/zinc/20/55/44/772205544.db2.gz IBCKQKQMJSWWIU-DDHJBXDOSA-N 0 3 334.380 0.016 20 5 ECBDHN CC(C)(C)n1ncnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138942 772205587 /nfs/dbraw/zinc/20/55/87/772205587.db2.gz JAKJKEQPAFDIHQ-DDHJBXDOSA-N 0 3 336.396 0.435 20 5 ECBDHN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)c2cc(C)n[nH]2)CC1 ZINC001069214673 789666240 /nfs/dbraw/zinc/66/62/40/789666240.db2.gz VFSZKIKBGILNPZ-DGCLKSJQSA-N 0 3 349.391 0.884 20 5 ECBDHN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC001069214673 789666248 /nfs/dbraw/zinc/66/62/48/789666248.db2.gz VFSZKIKBGILNPZ-DGCLKSJQSA-N 0 3 349.391 0.884 20 5 ECBDHN CNC(=O)CCN(C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355739544 299296361 /nfs/dbraw/zinc/29/63/61/299296361.db2.gz SJKKDBPKLZIDSI-UHFFFAOYSA-N 0 3 339.348 0.715 20 5 ECBDHN Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420449250 209369091 /nfs/dbraw/zinc/36/90/91/209369091.db2.gz FYDJWDWBJQWDST-NSHDSACASA-N 0 3 328.394 0.085 20 5 ECBDHN CN(C)CCN1C[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000073032586 216341994 /nfs/dbraw/zinc/34/19/94/216341994.db2.gz FTVQLGMGJQPVBH-AWEZNQCLSA-N 0 3 348.403 0.664 20 5 ECBDHN COCCNCCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000193365063 240134211 /nfs/dbraw/zinc/13/42/11/240134211.db2.gz DPGJYMZLCZYIHT-UHFFFAOYSA-N 0 3 331.394 0.726 20 5 ECBDHN Cc1cc(=O)c(C(=O)N[C@@H](C)CN)nn1-c1ccccc1[N+](=O)[O-] ZINC000262538587 245022824 /nfs/dbraw/zinc/02/28/24/245022824.db2.gz QYCKBTOBOGEKGW-VIFPVBQESA-N 0 3 331.332 0.526 20 5 ECBDHN C[C@H]1NCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000262749873 245159707 /nfs/dbraw/zinc/15/97/07/245159707.db2.gz GMWRZHPVTXWWSD-GHMZBOCLSA-N 0 3 330.348 0.998 20 5 ECBDHN CN(C)CCN1C[C@@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000089303129 217784303 /nfs/dbraw/zinc/78/43/03/217784303.db2.gz ONMRATRTJGKMFJ-AWEZNQCLSA-N 0 3 348.403 0.664 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450622535 211336791 /nfs/dbraw/zinc/33/67/91/211336791.db2.gz KDLHKIIUMKZGRR-INIZCTEOSA-N 0 3 345.359 0.577 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000153306769 224085741 /nfs/dbraw/zinc/08/57/41/224085741.db2.gz ZFEPYQIIKJDFDM-INIZCTEOSA-N 0 3 347.375 0.823 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000153472660 224109955 /nfs/dbraw/zinc/10/99/55/224109955.db2.gz XYADGOXYLDBKPQ-OAHLLOKOSA-N 0 3 348.363 0.218 20 5 ECBDHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262506419 285622017 /nfs/dbraw/zinc/62/20/17/285622017.db2.gz ZZHPMUZPPVBWMM-SECBINFHSA-N 0 3 345.377 0.642 20 5 ECBDHN CCN1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000183626293 164956761 /nfs/dbraw/zinc/95/67/61/164956761.db2.gz UTUYWMCPXKYZNU-LLVKDONJSA-N 0 3 336.396 0.328 20 5 ECBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCN2CCC1CC2 ZINC000188821058 165002289 /nfs/dbraw/zinc/00/22/89/165002289.db2.gz QNHLCRZUZJYSLU-UHFFFAOYSA-N 0 3 332.360 0.631 20 5 ECBDHN NC(=O)C[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245409414 165104208 /nfs/dbraw/zinc/10/42/08/165104208.db2.gz MCSQZSXVCFMDKG-JSGCOSHPSA-N 0 3 337.376 0.922 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275155497 263558699 /nfs/dbraw/zinc/55/86/99/263558699.db2.gz SXNLXLXVTNDBFC-CMPLNLGQSA-N 0 3 339.421 0.980 20 5 ECBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296785078 265116348 /nfs/dbraw/zinc/11/63/48/265116348.db2.gz QLBQFBOVHTUGOH-LBPRGKRZSA-N 0 3 343.384 0.609 20 5 ECBDHN C[C@@H]1NCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H]1C ZINC000262744047 279037544 /nfs/dbraw/zinc/03/75/44/279037544.db2.gz JIQZEOSFJXBKDG-QWRGUYRKSA-N 0 3 330.348 0.998 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000337461601 297190194 /nfs/dbraw/zinc/19/01/94/297190194.db2.gz PTVAICSSPOFDPP-INIZCTEOSA-N 0 3 334.376 0.978 20 5 ECBDHN O=C(NCCNc1ccncc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000353117836 299014616 /nfs/dbraw/zinc/01/46/16/299014616.db2.gz WFHGKHXOGHILKM-UHFFFAOYSA-N 0 3 330.300 0.982 20 5 ECBDHN COC(=O)COc1ccc(CNC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000353209270 299022459 /nfs/dbraw/zinc/02/24/59/299022459.db2.gz SHJXCIWYRMFVCS-HNNXBMFYSA-N 0 3 340.332 0.388 20 5 ECBDHN CC(C)(O)CN1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000363988611 300314210 /nfs/dbraw/zinc/31/42/10/300314210.db2.gz XQNYZEFUBDZOKG-UHFFFAOYSA-N 0 3 334.380 0.921 20 5 ECBDHN COc1cc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)ccc1[N+](=O)[O-] ZINC000370729978 300856100 /nfs/dbraw/zinc/85/61/00/300856100.db2.gz LEWQMBPMAFOSAK-IUCAKERBSA-N 0 3 333.341 0.582 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000493477794 301537850 /nfs/dbraw/zinc/53/78/50/301537850.db2.gz BGTHSDJMSLUFSU-UZMLQMNBSA-N 0 3 348.334 0.518 20 5 ECBDHN CC(C)(C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000519558494 301745881 /nfs/dbraw/zinc/74/58/81/301745881.db2.gz VFIFTLWAFQZCQU-KGLIPLIRSA-N 0 3 346.387 0.643 20 5 ECBDHN Cn1ccnc1C[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000090003679 436425240 /nfs/dbraw/zinc/42/52/40/436425240.db2.gz RWHZIGKHXSBAMQ-HIFRSBDPSA-N 0 3 348.407 0.840 20 5 ECBDHN C[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000063733186 436644913 /nfs/dbraw/zinc/64/49/13/436644913.db2.gz IBKSYVUAGXMPAE-GFCCVEGCSA-N 0 3 334.376 0.925 20 5 ECBDHN CS[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1N(C)C ZINC000272101148 436703978 /nfs/dbraw/zinc/70/39/78/436703978.db2.gz ZOXBLRJQYJXQII-OLZOCXBDSA-N 0 3 326.422 0.734 20 5 ECBDHN CN(CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC1 ZINC000067147669 436706223 /nfs/dbraw/zinc/70/62/23/436706223.db2.gz SJVJCGKHEKVQGM-UHFFFAOYSA-N 0 3 330.348 1.000 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCN1C ZINC000139186158 436665084 /nfs/dbraw/zinc/66/50/84/436665084.db2.gz IWRYNAIPAONENM-BXUZGUMPSA-N 0 3 334.376 0.924 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCS[C@H]3COCC[C@H]32)c1 ZINC000247324955 436793807 /nfs/dbraw/zinc/79/38/07/436793807.db2.gz WLKXVEGLVRZANR-UPJWGTAASA-N 0 3 328.394 0.359 20 5 ECBDHN NC(=O)[C@H]1CCCN1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000131140390 436848271 /nfs/dbraw/zinc/84/82/71/436848271.db2.gz IEHSHEZTTRQRBL-CQSZACIVSA-N 0 3 336.396 0.205 20 5 ECBDHN COc1ccc(NC(=O)CCN2C[C@@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000274460073 436828906 /nfs/dbraw/zinc/82/89/06/436828906.db2.gz HHDWZKFNEOISNO-QWRGUYRKSA-N 0 3 339.348 0.360 20 5 ECBDHN Cc1ccc(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000161441500 436891221 /nfs/dbraw/zinc/89/12/21/436891221.db2.gz HUIPEVHFFVOBHA-CYBMUJFWSA-N 0 3 331.394 0.494 20 5 ECBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)CN(C)C ZINC000294054802 436929658 /nfs/dbraw/zinc/92/96/58/436929658.db2.gz GNFXEIDBKGDSAM-SNVBAGLBSA-N 0 3 343.405 0.926 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170860905 436956342 /nfs/dbraw/zinc/95/63/42/436956342.db2.gz ZYTPQHLBOKIRRC-BXUZGUMPSA-N 0 3 334.376 0.876 20 5 ECBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000278880525 437353214 /nfs/dbraw/zinc/35/32/14/437353214.db2.gz PDOYFZAGCHDQMQ-LBPRGKRZSA-N 0 3 337.380 0.503 20 5 ECBDHN O=C1NC(=O)[C@@]2(CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000279058790 437370211 /nfs/dbraw/zinc/37/02/11/437370211.db2.gz LKNJPUUXWKAQQH-HNNXBMFYSA-N 0 3 334.332 0.648 20 5 ECBDHN C[C@@H]1CC[C@@H](C(N)=O)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181755304 437330216 /nfs/dbraw/zinc/33/02/16/437330216.db2.gz BYCGSGGSJHLJCP-UPJWGTAASA-N 0 3 337.376 0.920 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)C[C@H](C)O ZINC000289846928 437445192 /nfs/dbraw/zinc/44/51/92/437445192.db2.gz PKTUIVFZYXLPEK-NSHDSACASA-N 0 3 341.364 0.607 20 5 ECBDHN COCCCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000291827876 437631654 /nfs/dbraw/zinc/63/16/54/437631654.db2.gz FXZDKOAIJOGAAT-UHFFFAOYSA-N 0 3 325.369 0.891 20 5 ECBDHN CN(CCN)C(=O)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000423704845 437808005 /nfs/dbraw/zinc/80/80/05/437808005.db2.gz FURLBCNEUJHNNF-CYBMUJFWSA-N 0 3 334.376 0.718 20 5 ECBDHN Cc1ccc(NC(=O)C(=O)N2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000415895857 437877649 /nfs/dbraw/zinc/87/76/49/437877649.db2.gz QBYXHTBOBKFWNA-UHFFFAOYSA-N 0 3 334.332 0.043 20 5 ECBDHN COc1cc(S(=O)(=O)NC[C@@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000416492862 437943959 /nfs/dbraw/zinc/94/39/59/437943959.db2.gz BMRGQAPLHBWAIG-JTQLQIEISA-N 0 3 329.378 0.833 20 5 ECBDHN COc1cc(S(=O)(=O)NC[C@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000416492863 437944922 /nfs/dbraw/zinc/94/49/22/437944922.db2.gz BMRGQAPLHBWAIG-SNVBAGLBSA-N 0 3 329.378 0.833 20 5 ECBDHN CNC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342362285 438012599 /nfs/dbraw/zinc/01/25/99/438012599.db2.gz ZTXHYEYFLVGGOG-GFCCVEGCSA-N 0 3 335.364 0.927 20 5 ECBDHN CN1CCC(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000366127773 438023127 /nfs/dbraw/zinc/02/31/27/438023127.db2.gz PNZXHUIGMMMNFG-LBPRGKRZSA-N 0 3 333.392 0.888 20 5 ECBDHN COC(=O)CC[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000342736916 438053939 /nfs/dbraw/zinc/05/39/39/438053939.db2.gz RBLGGNAFGOAMHP-NSHDSACASA-N 0 3 325.321 0.500 20 5 ECBDHN O=C(CCN1CC[C@H]2C(=O)NC(=O)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366336695 438056801 /nfs/dbraw/zinc/05/68/01/438056801.db2.gz YRYTZIAOYSJRND-OLZOCXBDSA-N 0 3 346.343 0.518 20 5 ECBDHN C[C@@H]1CC[C@H](C(N)=O)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348531286 438070069 /nfs/dbraw/zinc/07/00/69/438070069.db2.gz MEMMHOHRPMMBFN-DYEKYZERSA-N 0 3 337.376 0.920 20 5 ECBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[C@H]1N1CCN(C)CC1 ZINC000374311695 438202540 /nfs/dbraw/zinc/20/25/40/438202540.db2.gz POSCYBFONBFITI-VXGBXAGGSA-N 0 3 335.412 0.429 20 5 ECBDHN CN(C[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713986 438324270 /nfs/dbraw/zinc/32/42/70/438324270.db2.gz XYYCLJIOAJROIV-IUODEOHRSA-N 0 3 335.408 0.931 20 5 ECBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000359581280 438462354 /nfs/dbraw/zinc/46/23/54/438462354.db2.gz WRMXASHOBNUNSR-DOMZBBRYSA-N 0 3 326.349 0.418 20 5 ECBDHN CC(C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)S(C)(=O)=O ZINC000359609828 438469247 /nfs/dbraw/zinc/46/92/47/438469247.db2.gz HRIZSPKQAJLDGA-SECBINFHSA-N 0 3 328.346 0.749 20 5 ECBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000420970303 438454663 /nfs/dbraw/zinc/45/46/63/438454663.db2.gz FDRVPCFTJDCLCQ-BJHJDKERSA-N 0 3 343.405 0.576 20 5 ECBDHN Cc1ccn(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000370028802 438543555 /nfs/dbraw/zinc/54/35/55/438543555.db2.gz FSLUQLWRVZDQJG-OAHLLOKOSA-N 0 3 334.380 0.994 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@@H]1CC[NH2+]C1)OCCO2 ZINC000440839219 438567326 /nfs/dbraw/zinc/56/73/26/438567326.db2.gz AKDCFYDKRYJEBN-SECBINFHSA-N 0 3 343.361 0.254 20 5 ECBDHN CN1CCN(CCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1(C)C ZINC000440648739 438559077 /nfs/dbraw/zinc/55/90/77/438559077.db2.gz KLNZCJAGBWXJGV-UHFFFAOYSA-N 0 3 333.396 1.075 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000576241914 438774773 /nfs/dbraw/zinc/77/47/73/438774773.db2.gz IUCZWXKPUCTKEV-ZIAGYGMSSA-N 0 3 332.360 0.298 20 5 ECBDHN C[C@@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000577290716 438831731 /nfs/dbraw/zinc/83/17/31/438831731.db2.gz VQMJWPDAHNCACR-CYBMUJFWSA-N 0 3 333.392 0.980 20 5 ECBDHN CO[C@]1(CO)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595661090 438840422 /nfs/dbraw/zinc/84/04/22/438840422.db2.gz IAZZIFWLFZUTTA-GOEBONIOSA-N 0 3 340.376 0.808 20 5 ECBDHN CN1CCN(CC2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000590398922 438917564 /nfs/dbraw/zinc/91/75/64/438917564.db2.gz BOUSHRQLVAJJHW-UHFFFAOYSA-N 0 3 348.403 0.679 20 5 ECBDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000596051073 438918213 /nfs/dbraw/zinc/91/82/13/438918213.db2.gz LLHTZJGINVBWAY-SSDOTTSWSA-N 0 3 328.272 0.500 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000590564016 438932344 /nfs/dbraw/zinc/93/23/44/438932344.db2.gz BSXKNDJKDYPTGY-STQMWFEESA-N 0 3 337.380 0.421 20 5 ECBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000591328945 439003673 /nfs/dbraw/zinc/00/36/73/439003673.db2.gz JNFPZRJAMCYATO-SNVBAGLBSA-N 0 3 329.378 0.833 20 5 ECBDHN CNC(=O)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000519803586 439063946 /nfs/dbraw/zinc/06/39/46/439063946.db2.gz XJHFXXUKZYILJA-AWEZNQCLSA-N 0 3 333.348 0.302 20 5 ECBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1F ZINC000580092237 439062888 /nfs/dbraw/zinc/06/28/88/439062888.db2.gz ZOAWCNVORZTBBI-RYUDHWBXSA-N 0 3 341.339 0.418 20 5 ECBDHN CCCc1n[nH]c(C(=O)NC[C@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000518806218 439012605 /nfs/dbraw/zinc/01/26/05/439012605.db2.gz VXVFRVIWERHIDN-HNNXBMFYSA-N 0 3 337.380 0.457 20 5 ECBDHN COc1ccc(CC(=O)NC[C@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000579492058 439013736 /nfs/dbraw/zinc/01/37/36/439013736.db2.gz UOBCEPBPLZLMPP-KRWDZBQOSA-N 0 3 349.387 0.719 20 5 ECBDHN CN1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000521216443 439110332 /nfs/dbraw/zinc/11/03/32/439110332.db2.gz NKZJSHHZQGCIKF-CYBMUJFWSA-N 0 3 337.380 0.258 20 5 ECBDHN C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520229142 439074783 /nfs/dbraw/zinc/07/47/83/439074783.db2.gz BZGFTKFDWJLKPB-IUCAKERBSA-N 0 3 345.377 0.770 20 5 ECBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000591756651 439080749 /nfs/dbraw/zinc/08/07/49/439080749.db2.gz MRXPVJZIJZDUEL-XEZPLFJOSA-N 0 3 339.392 0.643 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cnn(CC(F)(F)F)c2)c1 ZINC000591754414 439081188 /nfs/dbraw/zinc/08/11/88/439081188.db2.gz JQXAFWHXFDFFJJ-LLVKDONJSA-N 0 3 348.285 0.701 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000597655577 439150964 /nfs/dbraw/zinc/15/09/64/439150964.db2.gz YSBNZJMUEYTDDY-GFCCVEGCSA-N 0 3 347.375 0.648 20 5 ECBDHN CNc1nccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000597694547 439162497 /nfs/dbraw/zinc/16/24/97/439162497.db2.gz LDZFQYNIKIOZBX-CHWSQXEVSA-N 0 3 349.391 0.967 20 5 ECBDHN CC(C)([NH3+])CC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592144441 439165688 /nfs/dbraw/zinc/16/56/88/439165688.db2.gz DXHDVBQJFUECIB-UHFFFAOYSA-N 0 3 344.393 0.117 20 5 ECBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1 ZINC000592389827 439220064 /nfs/dbraw/zinc/22/00/64/439220064.db2.gz YBTIVESNLIGNKX-RYUDHWBXSA-N 0 3 331.369 0.757 20 5 ECBDHN O=C(CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCNCC1 ZINC000568748571 439275782 /nfs/dbraw/zinc/27/57/82/439275782.db2.gz FXFCYEJRZCUNSU-OAHLLOKOSA-N 0 3 332.404 0.937 20 5 ECBDHN Cc1cc(S(=O)(=O)NC[C@H]2CNCCO2)c(C)cc1[N+](=O)[O-] ZINC000568782883 439278234 /nfs/dbraw/zinc/27/82/34/439278234.db2.gz GZTYTQWLHCQNIV-LLVKDONJSA-N 0 3 329.378 0.478 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(CCN(C)C)C(=O)C1 ZINC000593050843 439335266 /nfs/dbraw/zinc/33/52/66/439335266.db2.gz GPOOJYYNMOFXKZ-UHFFFAOYSA-N 0 3 336.392 0.809 20 5 ECBDHN COc1cc(CN2CCN(CCN(C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593050610 439335831 /nfs/dbraw/zinc/33/58/31/439335831.db2.gz GVJSAOJFFVPMSX-UHFFFAOYSA-N 0 3 336.392 0.809 20 5 ECBDHN CNc1c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000592871423 439294349 /nfs/dbraw/zinc/29/43/49/439294349.db2.gz HYLWHOUMNFPMII-LLVKDONJSA-N 0 3 349.391 0.829 20 5 ECBDHN CN(C)CCN1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593391464 439375428 /nfs/dbraw/zinc/37/54/28/439375428.db2.gz MDJPNTRQCAUJIC-UHFFFAOYSA-N 0 3 338.383 0.982 20 5 ECBDHN CC(C)N1CCC(N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599217762 439385239 /nfs/dbraw/zinc/38/52/39/439385239.db2.gz DAVZWWSRKXYFRD-UHFFFAOYSA-N 0 3 345.425 0.822 20 5 ECBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1CNCCO1 ZINC000570835706 439456362 /nfs/dbraw/zinc/45/63/62/439456362.db2.gz UEYSASDRWPHGKI-NSHDSACASA-N 0 3 337.332 0.013 20 5 ECBDHN Nc1nccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000594315522 439541348 /nfs/dbraw/zinc/54/13/48/439541348.db2.gz ZUZQYNRLIMZGFO-LLVKDONJSA-N 0 3 335.364 0.555 20 5 ECBDHN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000594359333 439548096 /nfs/dbraw/zinc/54/80/96/439548096.db2.gz BUVVICKLTGGCFV-TUKIKUTGSA-N 0 3 348.403 0.881 20 5 ECBDHN C[C@@H]1CCN(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000594369531 439548644 /nfs/dbraw/zinc/54/86/44/439548644.db2.gz LSVCOQWKTHUQOZ-CYBMUJFWSA-N 0 3 333.392 0.980 20 5 ECBDHN COCCN1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000609269538 439561584 /nfs/dbraw/zinc/56/15/84/439561584.db2.gz SWIZVJAYIVBAJU-ZDUSSCGKSA-N 0 3 339.396 0.717 20 5 ECBDHN CCc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000584302984 439575800 /nfs/dbraw/zinc/57/58/00/439575800.db2.gz UITTWRHONBOWCQ-STQMWFEESA-N 0 3 332.360 0.541 20 5 ECBDHN CN1CCN(C)[C@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000573597863 439655458 /nfs/dbraw/zinc/65/54/58/439655458.db2.gz WZRBOQNXLRDDRC-HUUCEWRRSA-N 0 3 338.408 0.170 20 5 ECBDHN CN1C(=O)c2ccccc2[C@@H]1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600753418 439698950 /nfs/dbraw/zinc/69/89/50/439698950.db2.gz AWMFOGMWJNXVTP-WFASDCNBSA-N 0 3 345.359 0.569 20 5 ECBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCc2ccccc2[N+](=O)[O-])n1 ZINC000595263178 439685244 /nfs/dbraw/zinc/68/52/44/439685244.db2.gz PUGGBINCGQLELY-UHFFFAOYSA-N 0 3 346.347 0.591 20 5 ECBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC000617457946 439888097 /nfs/dbraw/zinc/88/80/97/439888097.db2.gz NMTDRPKVUSBGFP-LBPRGKRZSA-N 0 3 340.405 0.735 20 5 ECBDHN COC1(CO)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000618551337 440133338 /nfs/dbraw/zinc/13/33/38/440133338.db2.gz WMFXOIZZLSUJSG-AWEZNQCLSA-N 0 3 340.376 0.808 20 5 ECBDHN CN(C)CCOc1cnccc1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000345301995 321182229 /nfs/dbraw/zinc/18/22/29/321182229.db2.gz QSWKAGBSRLPBIW-UHFFFAOYSA-N 0 3 348.363 0.594 20 5 ECBDHN CN(C)C[C@@H](O)CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353504159 321395968 /nfs/dbraw/zinc/39/59/68/321395968.db2.gz QKEYAMKXGJGLLJ-GJZGRUSLSA-N 0 3 333.392 0.930 20 5 ECBDHN CC1CCN(C[C@@H](O)CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000360756943 321612150 /nfs/dbraw/zinc/61/21/50/321612150.db2.gz WEOJFYZBFPYJOG-NSHDSACASA-N 0 3 325.369 0.151 20 5 ECBDHN CNc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000563819494 322346669 /nfs/dbraw/zinc/34/66/69/322346669.db2.gz LTIXNLBJYKQWMF-INIZCTEOSA-N 0 3 334.376 0.823 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000573578962 322764159 /nfs/dbraw/zinc/76/41/59/322764159.db2.gz JXDFVEVOUMEBGD-NWDGAFQWSA-N 0 3 333.348 0.679 20 5 ECBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189841364 533913569 /nfs/dbraw/zinc/91/35/69/533913569.db2.gz DJNLUQGFMQEEHZ-GFCCVEGCSA-N 0 3 335.408 0.933 20 5 ECBDHN CCN1CCN(CCNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000749389892 579337682 /nfs/dbraw/zinc/33/76/82/579337682.db2.gz PMOFNUHQDQEMBF-UHFFFAOYSA-N 0 3 335.408 0.853 20 5 ECBDHN CC(C)N1CCN(CCCOC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000791753910 578892351 /nfs/dbraw/zinc/89/23/51/578892351.db2.gz JVQJPGFICCNRBZ-UHFFFAOYSA-N 0 3 340.384 0.146 20 5 ECBDHN O=C1NC(=O)C2(CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)N1 ZINC000760890088 579517046 /nfs/dbraw/zinc/51/70/46/579517046.db2.gz RIYNAZWKBMKAPG-LBPRGKRZSA-N 0 3 334.332 0.302 20 5 ECBDHN CC1(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)OCCO1 ZINC000760901294 579517062 /nfs/dbraw/zinc/51/70/62/579517062.db2.gz QNMNMPXIHFMDGL-AWEZNQCLSA-N 0 3 340.380 0.627 20 5 ECBDHN CC(COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813111778 587248381 /nfs/dbraw/zinc/24/83/81/587248381.db2.gz XHNSHMPDOKVHAD-SECBINFHSA-N 0 3 340.292 0.602 20 5 ECBDHN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112761 587248562 /nfs/dbraw/zinc/24/85/62/587248562.db2.gz KMRQZXJALDGDRM-WDEREUQCSA-N 0 3 330.362 0.870 20 5 ECBDHN COc1cccc(C[C@H](C(=O)OCC(C)[N+](=O)[O-])n2nnnc2C)c1 ZINC000813113890 587248920 /nfs/dbraw/zinc/24/89/20/587248920.db2.gz VXIHSPTUCHPFGK-IINYFYTJSA-N 0 3 349.347 0.982 20 5 ECBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C[C@H](O)C1CC1 ZINC000819081236 587467085 /nfs/dbraw/zinc/46/70/85/587467085.db2.gz JZGJVDQHHINLRG-LBPRGKRZSA-N 0 3 329.378 0.234 20 5 ECBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@](C)(O)c1ccccc1 ZINC000823592346 587732721 /nfs/dbraw/zinc/73/27/21/587732721.db2.gz RAMNOSIXAUFQKZ-CVEARBPZSA-N 0 3 334.376 0.992 20 5 ECBDHN C[NH+](C)C[C@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC000825859622 587967022 /nfs/dbraw/zinc/96/70/22/587967022.db2.gz IFMZFQULRRNKAR-NSHDSACASA-N 0 3 333.352 0.542 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1=O ZINC000844764515 589120231 /nfs/dbraw/zinc/12/02/31/589120231.db2.gz IJAGKIKKABJTDI-UHFFFAOYSA-N 0 3 338.339 0.580 20 5 ECBDHN CC([C@@H](OC(=O)CN(C)S(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874717 589173869 /nfs/dbraw/zinc/17/38/69/589173869.db2.gz JVTHRAWIXMITKG-NOZJJQNGSA-N 0 3 348.352 0.967 20 5 ECBDHN COCC[NH2+]CC[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765382 589704350 /nfs/dbraw/zinc/70/43/50/589704350.db2.gz GGGQRHQVHONGBA-UHFFFAOYSA-N 0 3 333.291 0.919 20 5 ECBDHN O=C(CCc1c[nH]cn1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000969235424 731630382 /nfs/dbraw/zinc/63/03/82/731630382.db2.gz FMYCCYPMUWSRKE-XJFOESAGSA-N 0 3 347.375 0.209 20 5 ECBDHN COc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001025775298 739943457 /nfs/dbraw/zinc/94/34/57/739943457.db2.gz MXMMUMXZKRBABK-VVSAWPALSA-N 0 3 332.360 0.302 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000983632490 744962270 /nfs/dbraw/zinc/96/22/70/744962270.db2.gz AQIAVOQFKOINMN-MGCOHNPYSA-N 0 3 333.352 0.350 20 5 ECBDHN O=C(N[C@H]1C[C@H](CNCc2nc(C3CC3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983653841 744999151 /nfs/dbraw/zinc/99/91/51/744999151.db2.gz LYADXZGVKHLWES-HJQYOEGKSA-N 0 3 335.364 0.597 20 5 ECBDHN Cn1ccc(C(=O)N[C@H]2C[C@H](CNCc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000985121813 747411208 /nfs/dbraw/zinc/41/12/08/747411208.db2.gz LAQHSQZMRPDMLH-XYPYZODXSA-N 0 3 347.379 0.360 20 5 ECBDHN Cc1nonc1C(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC000985169866 747501466 /nfs/dbraw/zinc/50/14/66/747501466.db2.gz TXTLLBWTCRADEW-MGCOHNPYSA-N 0 3 349.351 0.318 20 5 ECBDHN O=C(Cc1ncn[nH]1)N1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000989452812 753952447 /nfs/dbraw/zinc/95/24/47/753952447.db2.gz PAMQZCIESTYDNH-UHFFFAOYSA-N 0 3 344.375 0.990 20 5 ECBDHN Cc1cc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@H]3C2)nn1C ZINC001048813116 757075875 /nfs/dbraw/zinc/07/58/75/757075875.db2.gz AHAWATFYJSJYND-AYRXBEOTSA-N 0 3 333.392 0.284 20 5 ECBDHN CC/C=C\CCN1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001107167532 757234317 /nfs/dbraw/zinc/23/43/17/757234317.db2.gz ANUBPYJBHCLCCV-LPUOJRKPSA-N 0 3 348.407 0.773 20 5 ECBDHN Cc1n[nH]c(C(C)C)c1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991294992 760160426 /nfs/dbraw/zinc/16/04/26/760160426.db2.gz XGIYARCOUVLUBH-GHMZBOCLSA-N 0 3 335.364 0.447 20 5 ECBDHN CC(=O)Nc1cccc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001031661892 766378286 /nfs/dbraw/zinc/37/82/86/766378286.db2.gz MDJICHNJMCCWHJ-HZPDHXFCSA-N 0 3 346.387 0.858 20 5 ECBDHN O=C(CCc1c[nH]cn1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019120579 770850431 /nfs/dbraw/zinc/85/04/31/770850431.db2.gz ILLIBIVYXRTGKV-CHWSQXEVSA-N 0 3 347.375 0.068 20 5 ECBDHN COCc1nc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001020138993 772205302 /nfs/dbraw/zinc/20/53/02/772205302.db2.gz LROCPUBTHNZKSU-CNVPUSNMSA-N 0 3 340.405 0.692 20 5 ECBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000103123017 219258743 /nfs/dbraw/zinc/25/87/43/219258743.db2.gz ISVSXZOIDCMWMQ-UHFFFAOYSA-N 0 3 346.387 0.975 20 5 ECBDHN Cc1nn(CCC(=O)N[C@@H]2CNCCC2(F)F)c(C)c1[N+](=O)[O-] ZINC000449659485 211287837 /nfs/dbraw/zinc/28/78/37/211287837.db2.gz DCEORWGUODUBAH-SNVBAGLBSA-N 0 3 331.323 0.912 20 5 ECBDHN CO[C@H](C)[C@@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000268865857 252315596 /nfs/dbraw/zinc/31/55/96/252315596.db2.gz WOGOJFLZBGURCN-GHMZBOCLSA-N 0 3 331.394 0.886 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCCNCC1)OCCO2 ZINC000262735034 285098398 /nfs/dbraw/zinc/09/83/98/285098398.db2.gz GGAYQVRQEGVXHD-UHFFFAOYSA-N 0 3 343.361 0.350 20 5 ECBDHN Cc1ccc(NCCCNC(=O)C(=O)N[C@@H](C)CN)c([N+](=O)[O-])c1 ZINC000419455073 209099642 /nfs/dbraw/zinc/09/96/42/209099642.db2.gz OBPXQLJBWUUYET-NSHDSACASA-N 0 3 337.380 0.285 20 5 ECBDHN CN(C)CCN1C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000114166455 220645826 /nfs/dbraw/zinc/64/58/26/220645826.db2.gz PXARVODPKDOSCR-ZDUSSCGKSA-N 0 3 346.387 0.894 20 5 ECBDHN O=C(CNC[C@H]1CCCO1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237925235 263175067 /nfs/dbraw/zinc/17/50/67/263175067.db2.gz KHHXGRCDYZFEKD-GXTWGEPZSA-N 0 3 349.391 0.771 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1N(C)C ZINC000270960050 263289164 /nfs/dbraw/zinc/28/91/64/263289164.db2.gz RCZMJSQUVLIXPV-NXEZZACHSA-N 0 3 327.410 0.754 20 5 ECBDHN CC(=O)N1CCN(CCN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284018802 264181157 /nfs/dbraw/zinc/18/11/57/264181157.db2.gz IQOYHALJDPJOIJ-LBPRGKRZSA-N 0 3 335.408 0.992 20 5 ECBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)n(C)c(=O)n1C ZINC000285175058 264287373 /nfs/dbraw/zinc/28/73/73/264287373.db2.gz BKBPYZJYPPUNMI-UHFFFAOYSA-N 0 3 332.360 0.667 20 5 ECBDHN CCO[C@H]1C[C@](CO)(NCCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000189998688 437612731 /nfs/dbraw/zinc/61/27/31/437612731.db2.gz QCKUHKCLOFWZGW-XJKSGUPXSA-N 0 3 339.392 0.912 20 5 ECBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCCC[C@H]1CN ZINC000423623550 289691547 /nfs/dbraw/zinc/69/15/47/289691547.db2.gz OHJSRPCQFJURAC-AWEZNQCLSA-N 0 3 348.403 0.936 20 5 ECBDHN CCN1CC[C@@H]2OCCN(CCn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000339396425 297345308 /nfs/dbraw/zinc/34/53/08/297345308.db2.gz WRAFSMSSKZBNSP-GJZGRUSLSA-N 0 3 336.392 0.552 20 5 ECBDHN Cc1c(C(=O)N[C@H](C)CN(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000346238039 298243108 /nfs/dbraw/zinc/24/31/08/298243108.db2.gz ZQBKLYRFCCOTSM-MRVPVSSYSA-N 0 3 344.393 0.231 20 5 ECBDHN COc1ccc(NC(=O)C(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000360575908 300000689 /nfs/dbraw/zinc/00/06/89/300000689.db2.gz FYCZCPCHRGZWNR-UHFFFAOYSA-N 0 3 336.348 0.752 20 5 ECBDHN COCCCN1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000363666515 300284661 /nfs/dbraw/zinc/28/46/61/300284661.db2.gz YDLKOVFNKJZNJW-UHFFFAOYSA-N 0 3 325.369 0.362 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCN(c3ncccn3)CC2)c1 ZINC000072631928 436049370 /nfs/dbraw/zinc/04/93/70/436049370.db2.gz FYQVIZHCEKVPJY-AWEZNQCLSA-N 0 3 347.379 0.155 20 5 ECBDHN CN(C)CCN1C[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])CC1=O ZINC000074067108 436101781 /nfs/dbraw/zinc/10/17/81/436101781.db2.gz FUHFEUFVOJJDSP-AWEZNQCLSA-N 0 3 348.403 0.664 20 5 ECBDHN NC(=O)NC(=O)OCCCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373584779 301068942 /nfs/dbraw/zinc/06/89/42/301068942.db2.gz MDFRLQDETGSMQQ-JTQLQIEISA-N 0 3 340.340 0.623 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCN(c3ncccn3)CC2)c1 ZINC000377886658 301387667 /nfs/dbraw/zinc/38/76/67/301387667.db2.gz FYQVIZHCEKVPJY-CQSZACIVSA-N 0 3 347.379 0.155 20 5 ECBDHN NC(=O)CC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000048025049 436437614 /nfs/dbraw/zinc/43/76/14/436437614.db2.gz FPMVZDPCMSCINE-AWEZNQCLSA-N 0 3 337.376 0.922 20 5 ECBDHN CCN1CCC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000060626300 436634340 /nfs/dbraw/zinc/63/43/40/436634340.db2.gz WJJOCEWNZBWYRZ-AWEZNQCLSA-N 0 3 334.376 0.925 20 5 ECBDHN CN(C)CCN(CCN(C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000552198372 302386794 /nfs/dbraw/zinc/38/67/94/302386794.db2.gz SRVDNMWFKMDNOT-UHFFFAOYSA-N 0 3 326.401 0.133 20 5 ECBDHN COCCN1CCC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151057653 436695732 /nfs/dbraw/zinc/69/57/32/436695732.db2.gz XERXMVZOOHASRS-LBPRGKRZSA-N 0 3 340.384 0.201 20 5 ECBDHN O=C1CC2(CN1)CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000273293925 436744424 /nfs/dbraw/zinc/74/44/24/436744424.db2.gz FYMZYWPKLLCJPU-ZDUSSCGKSA-N 0 3 349.387 0.937 20 5 ECBDHN CN(C)[C@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000068486304 436745466 /nfs/dbraw/zinc/74/54/66/436745466.db2.gz XGOIRVARJYCEDX-AWEZNQCLSA-N 0 3 334.376 0.877 20 5 ECBDHN CN1CC[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272491552 436718141 /nfs/dbraw/zinc/71/81/41/436718141.db2.gz TYSMSOFEDYEQGB-WFASDCNBSA-N 0 3 346.387 0.877 20 5 ECBDHN COC[C@]1(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261630002 436878607 /nfs/dbraw/zinc/87/86/07/436878607.db2.gz CYJSZWRYALYEPF-CQSZACIVSA-N 0 3 343.405 0.950 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000295418929 436967579 /nfs/dbraw/zinc/96/75/79/436967579.db2.gz UABHYCKHIGPBLL-LURJTMIESA-N 0 3 335.288 0.780 20 5 ECBDHN CS[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275155499 436932992 /nfs/dbraw/zinc/93/29/92/436932992.db2.gz SXNLXLXVTNDBFC-PWSUYJOCSA-N 0 3 339.421 0.980 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170860898 436957424 /nfs/dbraw/zinc/95/74/24/436957424.db2.gz ZYTPQHLBOKIRRC-FZMZJTMJSA-N 0 3 334.376 0.876 20 5 ECBDHN CCN(CCOCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000282100338 437009675 /nfs/dbraw/zinc/00/96/75/437009675.db2.gz PEURJTAEEZSGPX-AWEZNQCLSA-N 0 3 328.365 0.665 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@](O)(C(N)=O)C1 ZINC000276494030 437115403 /nfs/dbraw/zinc/11/54/03/437115403.db2.gz WATPCVRXCNQHKH-HNNXBMFYSA-N 0 3 336.348 0.154 20 5 ECBDHN Cc1c(NC(=O)CCN2CC[C@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000276510748 437119356 /nfs/dbraw/zinc/11/93/56/437119356.db2.gz ZQZWKQANOFUTJX-OAHLLOKOSA-N 0 3 336.348 0.154 20 5 ECBDHN CCOC[C@@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000967 437202940 /nfs/dbraw/zinc/20/29/40/437202940.db2.gz YRIXANZEQDQWCV-LLVKDONJSA-N 0 3 331.394 0.888 20 5 ECBDHN C[C@H]1NCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000277550523 437231192 /nfs/dbraw/zinc/23/11/92/437231192.db2.gz YRCBCCKJXFAKDQ-NEPJUHHUSA-N 0 3 334.376 0.924 20 5 ECBDHN O=C(C[C@H]1CNCCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000325608916 437231304 /nfs/dbraw/zinc/23/13/04/437231304.db2.gz SUVMVMAVGQSFQK-ZDUSSCGKSA-N 0 3 335.364 0.017 20 5 ECBDHN CN(C)C(=O)CC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000182203355 437341001 /nfs/dbraw/zinc/34/10/01/437341001.db2.gz JFIARZUPYGSYDP-CQSZACIVSA-N 0 3 339.396 0.343 20 5 ECBDHN Cc1nc([C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000268520728 437429910 /nfs/dbraw/zinc/42/99/10/437429910.db2.gz WLSKCFDAOHWNAB-YPMHNXCESA-N 0 3 335.368 0.458 20 5 ECBDHN Cc1n[nH]c([C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268520728 437429911 /nfs/dbraw/zinc/42/99/11/437429911.db2.gz WLSKCFDAOHWNAB-YPMHNXCESA-N 0 3 335.368 0.458 20 5 ECBDHN CN1CCN(C[C@@H]2CCCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000361813282 437690507 /nfs/dbraw/zinc/69/05/07/437690507.db2.gz JICVJAUMOYQLIX-LBPRGKRZSA-N 0 3 335.412 0.431 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2CCN[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000423606339 437774765 /nfs/dbraw/zinc/77/47/65/437774765.db2.gz KCOFPSOUTDTOFL-RYUDHWBXSA-N 0 3 334.376 0.842 20 5 ECBDHN CC(C)(CN)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415384975 437794319 /nfs/dbraw/zinc/79/43/19/437794319.db2.gz UEONTIASPQBHIA-UHFFFAOYSA-N 0 3 346.290 0.988 20 5 ECBDHN COc1cc(OCC(=O)NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000423984054 437870916 /nfs/dbraw/zinc/87/09/16/437870916.db2.gz BDDMCHFCCYSMDA-NSHDSACASA-N 0 3 325.321 0.087 20 5 ECBDHN COCCN(C)CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000357127249 437919583 /nfs/dbraw/zinc/91/95/83/437919583.db2.gz IXYCXPULHYKPOI-UHFFFAOYSA-N 0 3 341.364 0.920 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000366213175 438037076 /nfs/dbraw/zinc/03/70/76/438037076.db2.gz JWELBSZDIVARHY-GFCCVEGCSA-N 0 3 336.396 0.067 20 5 ECBDHN O=C(CCN1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366336694 438055790 /nfs/dbraw/zinc/05/57/90/438055790.db2.gz YRYTZIAOYSJRND-CHWSQXEVSA-N 0 3 346.343 0.518 20 5 ECBDHN C[C@H]1CN(CCCNc2ccc3ncc([N+](=O)[O-])n3n2)CCCO1 ZINC000432878654 438215287 /nfs/dbraw/zinc/21/52/87/438215287.db2.gz JJLRJCZUCOVLBC-LBPRGKRZSA-N 0 3 334.380 1.550 20 5 ECBDHN CCCN1CCN(C2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000369155133 438429395 /nfs/dbraw/zinc/42/93/95/438429395.db2.gz KEGNSENDMVDCNB-UHFFFAOYSA-N 0 3 349.439 0.963 20 5 ECBDHN CN(C(=O)CN[C@@H](CO)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000359858728 438511040 /nfs/dbraw/zinc/51/10/40/438511040.db2.gz HZLYMBPOXZAMDG-HNNXBMFYSA-N 0 3 337.376 0.935 20 5 ECBDHN O=C(CN[C@@H](CO)C1CCOCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000359882090 438514876 /nfs/dbraw/zinc/51/48/76/438514876.db2.gz YCSMZFVNSSUOOM-HNNXBMFYSA-N 0 3 349.387 0.861 20 5 ECBDHN C[C@@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000353820138 438541590 /nfs/dbraw/zinc/54/15/90/438541590.db2.gz XUKNWQWGJPDKDU-NSHDSACASA-N 0 3 337.380 0.460 20 5 ECBDHN CCO[C@@H]1COC[C@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451943103 438619739 /nfs/dbraw/zinc/61/97/39/438619739.db2.gz HJVXHRHACXKSCU-NWANDNLSSA-N 0 3 326.349 0.728 20 5 ECBDHN C[C@@H]1CC[NH2+]C[C@@H]1NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979793 438623766 /nfs/dbraw/zinc/62/37/66/438623766.db2.gz KGWZKQPEDXBCRQ-NEPJUHHUSA-N 0 3 342.421 0.461 20 5 ECBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000452348355 438653235 /nfs/dbraw/zinc/65/32/35/438653235.db2.gz LHBNJMWOJNIBRM-NSHDSACASA-N 0 3 339.396 0.847 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000493866740 438654398 /nfs/dbraw/zinc/65/43/98/438654398.db2.gz DFJBACXJWQTUIQ-KOABKASLSA-N 0 3 330.344 0.378 20 5 ECBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]CC1(O)CCCC1 ZINC000514855970 438834968 /nfs/dbraw/zinc/83/49/68/438834968.db2.gz JABYJOCEPGMCAW-UHFFFAOYSA-N 0 3 343.405 0.768 20 5 ECBDHN N[C@H]1C[C@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000514952068 438842665 /nfs/dbraw/zinc/84/26/65/438842665.db2.gz SBUDBGDHPNNPCO-RYUDHWBXSA-N 0 3 337.311 0.510 20 5 ECBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595735173 438851227 /nfs/dbraw/zinc/85/12/27/438851227.db2.gz DDQCUHJUXOPDLI-QWHCGFSZSA-N 0 3 326.349 0.682 20 5 ECBDHN NC(=O)c1ccnc(N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000589557173 438875495 /nfs/dbraw/zinc/87/54/95/438875495.db2.gz MYYKZYWFBSLQMI-UHFFFAOYSA-N 0 3 328.332 0.810 20 5 ECBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000516085386 438892087 /nfs/dbraw/zinc/89/20/87/438892087.db2.gz OKWSKSDWOAHXME-INIZCTEOSA-N 0 3 349.343 0.510 20 5 ECBDHN C[C@@]1([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]C1 ZINC000596049927 438919477 /nfs/dbraw/zinc/91/94/77/438919477.db2.gz KJHGFBIASUBINU-CYBMUJFWSA-N 0 3 343.361 0.396 20 5 ECBDHN CN1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)C1 ZINC000596128317 438928984 /nfs/dbraw/zinc/92/89/84/438928984.db2.gz HSBKYAFBXLDUNM-AWEZNQCLSA-N 0 3 347.419 0.910 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596167657 438935450 /nfs/dbraw/zinc/93/54/50/438935450.db2.gz GTSUWLUKJDUALW-GFCCVEGCSA-N 0 3 334.380 0.315 20 5 ECBDHN CNc1nccc(C(=O)N(CCOC)CCN(C)C)c1[N+](=O)[O-] ZINC000578665347 438944355 /nfs/dbraw/zinc/94/43/55/438944355.db2.gz CIFIPHXUPABVCT-UHFFFAOYSA-N 0 3 325.369 0.682 20 5 ECBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNS(=O)(=O)N(C)C ZINC000459543159 438974440 /nfs/dbraw/zinc/97/44/40/438974440.db2.gz XHSJBKCFMKXWAV-FMIVXFBMSA-N 0 3 342.421 0.984 20 5 ECBDHN COc1ccc(CNC[C@H](O)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000565887482 438986625 /nfs/dbraw/zinc/98/66/25/438986625.db2.gz RWUIWCVMZKLKOK-AWEZNQCLSA-N 0 3 338.408 0.301 20 5 ECBDHN CNc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000566095427 439004766 /nfs/dbraw/zinc/00/47/66/439004766.db2.gz DALSDVUEWSJVAP-QWHCGFSZSA-N 0 3 344.375 0.937 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000566301232 439037769 /nfs/dbraw/zinc/03/77/69/439037769.db2.gz UOUVHWMCWZEBNF-GFCCVEGCSA-N 0 3 342.421 0.475 20 5 ECBDHN CCc1cccc(NC(=O)CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591728897 439077512 /nfs/dbraw/zinc/07/75/12/439077512.db2.gz VQRHMAGYYRJKGK-HNNXBMFYSA-N 0 3 347.375 0.943 20 5 ECBDHN C[S@](=O)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591749930 439079391 /nfs/dbraw/zinc/07/93/91/439079391.db2.gz PFWCWCKRGSZMSK-NPMABZOXSA-N 0 3 338.389 0.679 20 5 ECBDHN CN1Cc2ccccc2[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591757254 439082906 /nfs/dbraw/zinc/08/29/06/439082906.db2.gz DYXJARLOVCQUIM-HOCLYGCPSA-N 0 3 331.376 0.929 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCOCCN(C)C ZINC000471632595 439085479 /nfs/dbraw/zinc/08/54/79/439085479.db2.gz BZQFLGHHNODQNF-UHFFFAOYSA-N 0 3 340.380 0.981 20 5 ECBDHN CN(C)C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000488903909 439207711 /nfs/dbraw/zinc/20/77/11/439207711.db2.gz SYEZJDDCARASNX-LBPRGKRZSA-N 0 3 336.327 0.745 20 5 ECBDHN [NH3+][C@H]1C[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592381925 439216286 /nfs/dbraw/zinc/21/62/86/439216286.db2.gz AAFNYIVUQGMKCU-OCAPTIKFSA-N 0 3 329.334 0.134 20 5 ECBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568783501 439278925 /nfs/dbraw/zinc/27/89/25/439278925.db2.gz VRWGVMJKZLRHBU-NWDGAFQWSA-N 0 3 347.375 0.987 20 5 ECBDHN COCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCO[C@@H]1C ZINC000489447166 439228322 /nfs/dbraw/zinc/22/83/22/439228322.db2.gz KBSGIBGMUKZFTG-XBFCOCLRSA-N 0 3 328.369 0.278 20 5 ECBDHN Cc1c(C(=O)N(CCN(C)C)CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000598188599 439237229 /nfs/dbraw/zinc/23/72/29/439237229.db2.gz VJNXHZFLUFTZHR-UHFFFAOYSA-N 0 3 336.392 0.995 20 5 ECBDHN COC[C@H]1C[C@@H](O)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593066410 439338180 /nfs/dbraw/zinc/33/81/80/439338180.db2.gz CPLUGDNJBSBCOO-MCIONIFRSA-N 0 3 326.349 0.416 20 5 ECBDHN N[C@@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)CCN2C1=O ZINC000582857040 439390150 /nfs/dbraw/zinc/39/01/50/439390150.db2.gz HLDFLOUOFBPAAS-CMPLNLGQSA-N 0 3 327.344 0.891 20 5 ECBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000599245849 439396620 /nfs/dbraw/zinc/39/66/20/439396620.db2.gz YHIXJNKRAGBPRI-GHMZBOCLSA-N 0 3 345.425 0.822 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(N2CCOCC2)CC1 ZINC000599472759 439484244 /nfs/dbraw/zinc/48/42/44/439484244.db2.gz PDBIEDKGBLBYDC-UHFFFAOYSA-N 0 3 336.392 0.553 20 5 ECBDHN CN1CCN(C[C@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000583626401 439491306 /nfs/dbraw/zinc/49/13/06/439491306.db2.gz QGPLWPWRIPLBCM-OAHLLOKOSA-N 0 3 338.408 0.172 20 5 ECBDHN COC(=O)C1C[C@H](C)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000599688665 439535495 /nfs/dbraw/zinc/53/54/95/439535495.db2.gz LIKNIWLONFCOMD-COPLHBTASA-N 0 3 340.380 0.814 20 5 ECBDHN CNc1nccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000594314762 439541110 /nfs/dbraw/zinc/54/11/10/439541110.db2.gz OWKSLGHDQBNVRF-GFCCVEGCSA-N 0 3 349.391 1.015 20 5 ECBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCC2(O)CCC2)c1 ZINC000572148840 439560612 /nfs/dbraw/zinc/56/06/12/439560612.db2.gz FBIZOLZKQPUZJX-UHFFFAOYSA-N 0 3 329.378 0.378 20 5 ECBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000609306844 439562633 /nfs/dbraw/zinc/56/26/33/439562633.db2.gz FIZBYXKCIQWSJG-ZDUSSCGKSA-N 0 3 349.391 0.488 20 5 ECBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000609665535 439583596 /nfs/dbraw/zinc/58/35/96/439583596.db2.gz UEJAJJQOJQGARX-CYBMUJFWSA-N 0 3 335.408 0.785 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCN1C1CCCC1 ZINC000600470896 439667443 /nfs/dbraw/zinc/66/74/43/439667443.db2.gz JOWYAJXFDZEKOU-CYBMUJFWSA-N 0 3 334.376 0.890 20 5 ECBDHN Cc1c(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595230193 439676260 /nfs/dbraw/zinc/67/62/60/439676260.db2.gz MFXBWNSUNBVIEY-GHMZBOCLSA-N 0 3 333.348 0.679 20 5 ECBDHN COc1ccc(NC(=O)C(=O)N2CC3CC2(CN)C3)cc1[N+](=O)[O-] ZINC000595251677 439682116 /nfs/dbraw/zinc/68/21/16/439682116.db2.gz SDVCFJGGCDTIEL-UHFFFAOYSA-N 0 3 334.332 0.492 20 5 ECBDHN C[C@@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000564852037 322399825 /nfs/dbraw/zinc/39/98/25/322399825.db2.gz UPCHJGHCGYZJOX-QWRGUYRKSA-N 0 3 332.378 0.357 20 5 ECBDHN CC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)C(F)(F)F ZINC000566231787 322515868 /nfs/dbraw/zinc/51/58/68/322515868.db2.gz UDNNZFLOXCBFRQ-KXUCPTDWSA-N 0 3 326.275 0.444 20 5 ECBDHN CC(C)c1n[nH]c(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000566518555 322540668 /nfs/dbraw/zinc/54/06/68/322540668.db2.gz LADMGLCZOUYNSW-SECBINFHSA-N 0 3 340.384 0.237 20 5 ECBDHN C[C@H](CCC[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000571088369 322710261 /nfs/dbraw/zinc/71/02/61/322710261.db2.gz GYLBCXHHMDRDSY-SNVBAGLBSA-N 0 3 344.393 0.117 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCCOc2ncccc2Cl)c1 ZINC000580434544 322925535 /nfs/dbraw/zinc/92/55/35/322925535.db2.gz AAYAISBKLBDCTC-NSHDSACASA-N 0 3 341.755 0.869 20 5 ECBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000190084838 533707974 /nfs/dbraw/zinc/70/79/74/533707974.db2.gz MDYYSUIIWQEXOD-AWEZNQCLSA-N 0 3 345.421 0.803 20 5 ECBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000726163891 578138589 /nfs/dbraw/zinc/13/85/89/578138589.db2.gz OQPBYZYLYHBJBR-GHMZBOCLSA-N 0 3 349.343 0.917 20 5 ECBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000733161177 578333215 /nfs/dbraw/zinc/33/32/15/578333215.db2.gz JOCZDPWYKNPMFI-LBPRGKRZSA-N 0 3 335.408 0.933 20 5 ECBDHN COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737007646 578473017 /nfs/dbraw/zinc/47/30/17/578473017.db2.gz PDIBFWHIHRAQFP-SNVBAGLBSA-N 0 3 333.352 0.908 20 5 ECBDHN COCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737007646 578473018 /nfs/dbraw/zinc/47/30/18/578473018.db2.gz PDIBFWHIHRAQFP-SNVBAGLBSA-N 0 3 333.352 0.908 20 5 ECBDHN CC(C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC1 ZINC000796581714 578626356 /nfs/dbraw/zinc/62/63/56/578626356.db2.gz HVEBIKXUKNLXKW-LBPRGKRZSA-N 0 3 325.369 0.143 20 5 ECBDHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000783296297 578740951 /nfs/dbraw/zinc/74/09/51/578740951.db2.gz MNTFVRTWHGZZNM-VIFPVBQESA-N 0 3 344.755 0.225 20 5 ECBDHN CC(C)N1CCN(CCCOC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000792092289 578900285 /nfs/dbraw/zinc/90/02/85/578900285.db2.gz YEWPVSZHQNDZPJ-UHFFFAOYSA-N 0 3 339.396 0.901 20 5 ECBDHN CCN(CCO)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000769635814 579149269 /nfs/dbraw/zinc/14/92/69/579149269.db2.gz PSMPNHSQTGVQJY-UHFFFAOYSA-N 0 3 335.364 0.375 20 5 ECBDHN O=C(CCN1CC[C@@H](CO)[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000808750490 587161037 /nfs/dbraw/zinc/16/10/37/587161037.db2.gz KQMSCKWUNKBFNQ-IINYFYTJSA-N 0 3 341.339 0.738 20 5 ECBDHN CCn1c(=O)c2ccccc2n(CC(=O)OCC(C)[N+](=O)[O-])c1=O ZINC000813107424 587248370 /nfs/dbraw/zinc/24/83/70/587248370.db2.gz QIUSSMLJMBPHNN-JTQLQIEISA-N 0 3 335.316 0.392 20 5 ECBDHN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105741 587248615 /nfs/dbraw/zinc/24/86/15/587248615.db2.gz TYLJUTZHWANOCS-VHSXEESVSA-N 0 3 346.361 0.570 20 5 ECBDHN CN1CCN(CC2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000816751782 587323367 /nfs/dbraw/zinc/32/33/67/587323367.db2.gz DVZBKYIWBOIZLL-UHFFFAOYSA-N 0 3 333.392 0.496 20 5 ECBDHN CN1CCC(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000822220729 587648783 /nfs/dbraw/zinc/64/87/83/587648783.db2.gz FANLAAPKTFVKEF-UHFFFAOYSA-N 0 3 346.343 0.401 20 5 ECBDHN O=[N+]([O-])c1cccc(-n2cc(-c3nc(N4CCNCC4)no3)nn2)c1 ZINC000823314276 587715641 /nfs/dbraw/zinc/71/56/41/587715641.db2.gz BLOGXCZUEKEOJH-UHFFFAOYSA-N 0 3 342.319 0.635 20 5 ECBDHN COCCN(C)CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824999614 587910532 /nfs/dbraw/zinc/91/05/32/587910532.db2.gz OSYZOEFHXBTIRF-AWEZNQCLSA-N 0 3 325.365 0.713 20 5 ECBDHN CN(CC1CN(C)C1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000853553587 589547990 /nfs/dbraw/zinc/54/79/90/589547990.db2.gz QGDIBFXSXHKZJN-UHFFFAOYSA-N 0 3 347.375 0.814 20 5 ECBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CNCCC1(F)F ZINC000857768703 589704127 /nfs/dbraw/zinc/70/41/27/589704127.db2.gz WGGJZTRHHHAUFT-JTQLQIEISA-N 0 3 328.275 0.647 20 5 ECBDHN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861716558 589879114 /nfs/dbraw/zinc/87/91/14/589879114.db2.gz RPWWGPNYHSGUII-RBSFLKMASA-N 0 3 335.360 0.296 20 5 ECBDHN CON(C)C(=O)[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000863588055 590025856 /nfs/dbraw/zinc/02/58/56/590025856.db2.gz ZMDYADFJJRDQKR-QWRGUYRKSA-N 0 3 327.337 0.332 20 5 ECBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000876469637 590377865 /nfs/dbraw/zinc/37/78/65/590377865.db2.gz FVNCWGDCKPBZEG-CQSZACIVSA-N 0 3 327.337 0.607 20 5 ECBDHN Cc1noc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)n1 ZINC000946589053 611356802 /nfs/dbraw/zinc/35/68/02/611356802.db2.gz CTMSEEBIEVFDBK-XJFOESAGSA-N 0 3 349.391 0.714 20 5 ECBDHN CN1CCNC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911973646 609925274 /nfs/dbraw/zinc/92/52/74/609925274.db2.gz NJVAEHPNIKOFMX-OAHLLOKOSA-N 0 3 333.392 0.147 20 5 ECBDHN CN1CCN(C)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000933996627 611764605 /nfs/dbraw/zinc/76/46/05/611764605.db2.gz XVBJCQAPEJJENZ-UHFFFAOYSA-N 0 3 335.408 0.373 20 5 ECBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccn3cncc3c2)C1 ZINC000954240045 612789787 /nfs/dbraw/zinc/78/97/87/612789787.db2.gz KOPIBOCHLVERQD-ZIAGYGMSSA-N 0 3 343.343 0.282 20 5 ECBDHN Cc1ccnn1CC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001167435710 734273504 /nfs/dbraw/zinc/27/35/04/734273504.db2.gz LCCORNXCDLKYGN-UHFFFAOYSA-N 0 3 335.368 0.129 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC000997337786 743505119 /nfs/dbraw/zinc/50/51/19/743505119.db2.gz AZJCBKGFJSCQDS-UHFFFAOYSA-N 0 3 346.391 0.980 20 5 ECBDHN COc1cncc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@H]3C2)n1 ZINC001048814678 757082998 /nfs/dbraw/zinc/08/29/98/757082998.db2.gz XBDCMIZMXGDGPD-ZMJPVWNMSA-N 0 3 347.375 0.041 20 5 ECBDHN Cn1oc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)cc1=O ZINC001022018360 758168465 /nfs/dbraw/zinc/16/84/65/758168465.db2.gz VGCOUWXGVVOXEF-TXEJJXNPSA-N 0 3 346.343 0.937 20 5 ECBDHN Cc1cc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)nn1C ZINC001050516659 760412389 /nfs/dbraw/zinc/41/23/89/760412389.db2.gz FYWLNRMZXKZRHD-HUUCEWRRSA-N 0 3 347.419 0.818 20 5 ECBDHN Cn1cc(CN2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C3)nn1 ZINC001048525027 760662075 /nfs/dbraw/zinc/66/20/75/760662075.db2.gz HABSAKLNOUPLPO-COWZWYNKSA-N 0 3 348.407 0.340 20 5 ECBDHN O=C(CCc1c[nH]cn1)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017442225 767993746 /nfs/dbraw/zinc/99/37/46/767993746.db2.gz GWYLTYKYJCYIGH-ZIAGYGMSSA-N 0 3 347.375 0.282 20 5 ECBDHN CCn1nnc(C)c1CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072721215 788648146 /nfs/dbraw/zinc/64/81/46/788648146.db2.gz IYXCGYFIYGOZAO-CHWSQXEVSA-N 0 3 348.407 0.306 20 5 ECBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(CO)CO ZINC000128964200 529871773 /nfs/dbraw/zinc/87/17/73/529871773.db2.gz PQVXQOPRUPNHCW-UHFFFAOYSA-N 0 3 343.355 0.985 20 5 ECBDHN C[C@@H]1CCN(C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000354948784 299169376 /nfs/dbraw/zinc/16/93/76/299169376.db2.gz JEDRTKLOVINVFF-GFCCVEGCSA-N 0 3 334.376 0.877 20 5 ECBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000180941997 234037603 /nfs/dbraw/zinc/03/76/03/234037603.db2.gz QOYGLPDWGNCLIR-NWDGAFQWSA-N 0 3 343.405 0.888 20 5 ECBDHN NC[C@H]1CCCCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418921822 283496481 /nfs/dbraw/zinc/49/64/81/283496481.db2.gz JYRXOKRUZOMEOQ-CQSZACIVSA-N 0 3 334.376 0.593 20 5 ECBDHN C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000356346654 299380201 /nfs/dbraw/zinc/38/02/01/299380201.db2.gz NFGSWCSLVLUMOO-GHMZBOCLSA-N 0 3 330.348 0.998 20 5 ECBDHN C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000356346655 299380405 /nfs/dbraw/zinc/38/04/05/299380405.db2.gz NFGSWCSLVLUMOO-MNOVXSKESA-N 0 3 330.348 0.998 20 5 ECBDHN COCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356441751 299389310 /nfs/dbraw/zinc/38/93/10/299389310.db2.gz BSQJAYQAIRISDN-UHFFFAOYSA-N 0 3 325.369 0.559 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450880293 211348316 /nfs/dbraw/zinc/34/83/16/211348316.db2.gz KQBKALRQFRQARW-INIZCTEOSA-N 0 3 345.359 0.781 20 5 ECBDHN NC[C@@H]1CCCN1C(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419162975 209007605 /nfs/dbraw/zinc/00/76/05/209007605.db2.gz IIOWTBRDOBQFFP-NSHDSACASA-N 0 3 340.767 0.814 20 5 ECBDHN COC(=O)[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000191867846 533432527 /nfs/dbraw/zinc/43/25/27/533432527.db2.gz ATYVCLHCGGGASB-DRZSPHRISA-N 0 3 326.353 0.283 20 5 ECBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000119688399 164658218 /nfs/dbraw/zinc/65/82/18/164658218.db2.gz ZNQCANGBZIPDRD-UHFFFAOYSA-N 0 3 332.364 0.927 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-]CC2=CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000189295717 165008817 /nfs/dbraw/zinc/00/88/17/165008817.db2.gz KFLDBSJEVHMQKK-UHFFFAOYSA-N 0 3 327.362 0.801 20 5 ECBDHN CCN1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000193101709 165052956 /nfs/dbraw/zinc/05/29/56/165052956.db2.gz KRNWJKMWVMNISC-UHFFFAOYSA-N 0 3 342.421 0.511 20 5 ECBDHN C[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000272570938 263352718 /nfs/dbraw/zinc/35/27/18/263352718.db2.gz NAUDPCGDMOWHRY-RYUDHWBXSA-N 0 3 334.376 0.924 20 5 ECBDHN CN(C)CCOc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000343534947 437600510 /nfs/dbraw/zinc/60/05/10/437600510.db2.gz FJMNCWWQNIIOHE-UHFFFAOYSA-N 0 3 334.336 0.765 20 5 ECBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCCC[C@H]1CN ZINC000423630215 289764643 /nfs/dbraw/zinc/76/46/43/289764643.db2.gz YHZPCPDVDXUWBQ-ZDUSSCGKSA-N 0 3 334.376 0.893 20 5 ECBDHN CN(C)[C@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000331932668 296983314 /nfs/dbraw/zinc/98/33/14/296983314.db2.gz KMTSDLLOTSTEOQ-LBPRGKRZSA-N 0 3 348.359 0.483 20 5 ECBDHN CNC(=O)NC(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345646794 298179407 /nfs/dbraw/zinc/17/94/07/298179407.db2.gz TUHKJZVENDPZBO-JTQLQIEISA-N 0 3 336.352 0.322 20 5 ECBDHN CN(C)CCOCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000345972743 298205164 /nfs/dbraw/zinc/20/51/64/298205164.db2.gz ZHJRZZBHBSVZPA-UHFFFAOYSA-N 0 3 348.363 0.484 20 5 ECBDHN C[C@H](CN(C)C)NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000346224432 298240262 /nfs/dbraw/zinc/24/02/62/298240262.db2.gz NUEKVAJRYFKQRQ-SNVBAGLBSA-N 0 3 348.359 0.928 20 5 ECBDHN COC(=O)COc1ccc(CNC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000353209273 299022410 /nfs/dbraw/zinc/02/24/10/299022410.db2.gz SHJXCIWYRMFVCS-OAHLLOKOSA-N 0 3 340.332 0.388 20 5 ECBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000363681913 300285777 /nfs/dbraw/zinc/28/57/77/300285777.db2.gz GTUSOWDVWYPSDU-KBPBESRZSA-N 0 3 348.359 0.513 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(Oc3cnccn3)CC2)c1 ZINC000369697707 300762226 /nfs/dbraw/zinc/76/22/26/300762226.db2.gz ZRXXAHWBHUZRIP-ZDUSSCGKSA-N 0 3 348.363 0.486 20 5 ECBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CN2CCN1CCC2 ZINC000373072981 301045528 /nfs/dbraw/zinc/04/55/28/301045528.db2.gz ZZYIGEKGBQYMSH-AWEZNQCLSA-N 0 3 344.375 0.477 20 5 ECBDHN CCS(=O)(=O)NCCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373284624 301056284 /nfs/dbraw/zinc/05/62/84/301056284.db2.gz MBIUDJUOWDOQOG-UHFFFAOYSA-N 0 3 345.425 0.758 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000493477792 301537881 /nfs/dbraw/zinc/53/78/81/301537881.db2.gz BGTHSDJMSLUFSU-GQYCNYHZSA-N 0 3 348.334 0.518 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)CCN(C)C)n1 ZINC000515957275 301653371 /nfs/dbraw/zinc/65/33/71/301653371.db2.gz KHKFZCBVHJLZMX-UHFFFAOYSA-N 0 3 326.401 0.377 20 5 ECBDHN CN1CCC[C@@H](N2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)C1 ZINC000090554347 436432937 /nfs/dbraw/zinc/43/29/37/436432937.db2.gz NMEDWBLPIZEAGW-OAHLLOKOSA-N 0 3 349.435 0.468 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(OCCCO)CC1 ZINC000090552207 436433326 /nfs/dbraw/zinc/43/33/26/436433326.db2.gz MMWYRZOSPPVQAC-UHFFFAOYSA-N 0 3 325.365 0.620 20 5 ECBDHN COC(=O)CCN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCO1 ZINC000530665369 302022516 /nfs/dbraw/zinc/02/25/16/302022516.db2.gz DMCHPGYGGQNMGH-GFCCVEGCSA-N 0 3 326.353 0.835 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000552439238 302392752 /nfs/dbraw/zinc/39/27/52/302392752.db2.gz FEIRJPHMTMSVGS-KBPBESRZSA-N 0 3 346.343 0.596 20 5 ECBDHN C[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000195297600 436688371 /nfs/dbraw/zinc/68/83/71/436688371.db2.gz FKLNYGDCDKWRPS-LURJTMIESA-N 0 3 338.183 0.983 20 5 ECBDHN CCN1CCN(CCCNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000066045646 436675073 /nfs/dbraw/zinc/67/50/73/436675073.db2.gz CTDAQQRGIPJKTI-UHFFFAOYSA-N 0 3 338.412 0.244 20 5 ECBDHN CN(C)[C@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000152521906 436733275 /nfs/dbraw/zinc/73/32/75/436733275.db2.gz NLEFJRVITPEHPH-NSHDSACASA-N 0 3 342.421 0.985 20 5 ECBDHN O=C1CC2(CN1)CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000273293922 436743709 /nfs/dbraw/zinc/74/37/09/436743709.db2.gz FYMZYWPKLLCJPU-CYBMUJFWSA-N 0 3 349.387 0.937 20 5 ECBDHN CS[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1N1CCCC1 ZINC000273477962 436757549 /nfs/dbraw/zinc/75/75/49/436757549.db2.gz IFWXYZHJUIXNSI-VXGBXAGGSA-N 0 3 339.421 0.830 20 5 ECBDHN CCN(CCO)CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000274583986 436848125 /nfs/dbraw/zinc/84/81/25/436848125.db2.gz SZWMIYAFLZBMBD-UHFFFAOYSA-N 0 3 339.377 0.644 20 5 ECBDHN CN(CCNC(=O)OC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000297504638 437009564 /nfs/dbraw/zinc/00/95/64/437009564.db2.gz VGRYCAAPJHJMFS-LBPRGKRZSA-N 0 3 343.384 0.609 20 5 ECBDHN CN(C)C1(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000276058623 437051786 /nfs/dbraw/zinc/05/17/86/437051786.db2.gz VCEQGDIDRRDLEP-UHFFFAOYSA-N 0 3 334.376 0.925 20 5 ECBDHN COc1ccc(NC(=O)CCN(CCO)CCCO)c([N+](=O)[O-])c1 ZINC000299270386 437063628 /nfs/dbraw/zinc/06/36/28/437063628.db2.gz MCHUAISWKZWDIT-UHFFFAOYSA-N 0 3 341.364 0.609 20 5 ECBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264767800 437080441 /nfs/dbraw/zinc/08/04/41/437080441.db2.gz OQUAWCLWSSMQOI-UHFFFAOYSA-N 0 3 335.408 0.887 20 5 ECBDHN Cn1nccc1[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331414550 437092482 /nfs/dbraw/zinc/09/24/82/437092482.db2.gz BZKDVMPAHYSMIM-GXTWGEPZSA-N 0 3 334.380 0.765 20 5 ECBDHN CN1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)C1 ZINC000301300893 437118288 /nfs/dbraw/zinc/11/82/88/437118288.db2.gz RDOJWEAGLCIOBT-LBPRGKRZSA-N 0 3 348.407 0.305 20 5 ECBDHN COCCCN(C)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266231144 437222951 /nfs/dbraw/zinc/22/29/51/437222951.db2.gz JKZQDAPYPOMGPW-UHFFFAOYSA-N 0 3 346.409 0.622 20 5 ECBDHN CNC(=O)N[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337314048 437350929 /nfs/dbraw/zinc/35/09/29/437350929.db2.gz HOGRSVMCNRUQKS-NSHDSACASA-N 0 3 335.364 0.927 20 5 ECBDHN Cc1nn(C)c(C(=O)NCCCN2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278673371 437333378 /nfs/dbraw/zinc/33/33/78/437333378.db2.gz UCXLNFGUTGKWHJ-NSHDSACASA-N 0 3 339.396 0.867 20 5 ECBDHN CN(C)CCn1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n1 ZINC000338648822 437413610 /nfs/dbraw/zinc/41/36/10/437413610.db2.gz TVSBZGOMIWIBSX-UHFFFAOYSA-N 0 3 335.368 0.923 20 5 ECBDHN COCCOCCN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289069226 437378518 /nfs/dbraw/zinc/37/85/18/437378518.db2.gz RXZQKJDOFHASRJ-CQSZACIVSA-N 0 3 328.365 0.929 20 5 ECBDHN Cc1c(NC(=O)CCN(CCO)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000289782907 437440589 /nfs/dbraw/zinc/44/05/89/437440589.db2.gz LUULFAHFHXCVLH-LLVKDONJSA-N 0 3 325.365 0.907 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(OCCO)CC1 ZINC000343756523 437646639 /nfs/dbraw/zinc/64/66/39/437646639.db2.gz YXKNMLGKZGVCBW-ZDUSSCGKSA-N 0 3 340.376 0.808 20 5 ECBDHN CCN1CC[C@H]2OCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000355317904 437695174 /nfs/dbraw/zinc/69/51/74/437695174.db2.gz LZBKAFNOHMXJMI-ZIAGYGMSSA-N 0 3 337.380 0.503 20 5 ECBDHN C[C@H](CN)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415416640 437798416 /nfs/dbraw/zinc/79/84/16/437798416.db2.gz LBJMRDCUEKBCCI-SSDOTTSWSA-N 0 3 346.290 0.940 20 5 ECBDHN CCNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000357070601 437905045 /nfs/dbraw/zinc/90/50/45/437905045.db2.gz DMXYZKFPGJIERQ-MRVPVSSYSA-N 0 3 329.334 0.603 20 5 ECBDHN COc1cccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1[N+](=O)[O-] ZINC000424221904 437905444 /nfs/dbraw/zinc/90/54/44/437905444.db2.gz DBAGIXJQQRPPGA-QWHCGFSZSA-N 0 3 345.359 0.904 20 5 ECBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000371502092 437943531 /nfs/dbraw/zinc/94/35/31/437943531.db2.gz ZSLQVIPIEYFMRJ-NEPJUHHUSA-N 0 3 349.343 0.917 20 5 ECBDHN COCCCN1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000371579667 437960778 /nfs/dbraw/zinc/96/07/78/437960778.db2.gz APYQXGPWSGHPON-UHFFFAOYSA-N 0 3 337.380 0.988 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000358052798 438134807 /nfs/dbraw/zinc/13/48/07/438134807.db2.gz UWDHQRGPRKCEEP-MRXNPFEDSA-N 0 3 345.359 0.577 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000358069998 438141689 /nfs/dbraw/zinc/14/16/89/438141689.db2.gz UAJLGTIHUSURSC-INIZCTEOSA-N 0 3 336.392 0.970 20 5 ECBDHN C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1CN ZINC000419047155 438305333 /nfs/dbraw/zinc/30/53/33/438305333.db2.gz ZRMXOJDAGIOWLK-IUODEOHRSA-N 0 3 348.403 0.839 20 5 ECBDHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000352408381 438420805 /nfs/dbraw/zinc/42/08/05/438420805.db2.gz VAEHPRRMIXZTCC-MNOVXSKESA-N 0 3 331.398 0.241 20 5 ECBDHN CN(C)[C@@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCSC1 ZINC000359714652 438483850 /nfs/dbraw/zinc/48/38/50/438483850.db2.gz DHUPKOAYNUJUEL-CYBMUJFWSA-N 0 3 327.410 0.735 20 5 ECBDHN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[C@@H]1N1CCN(C)CC1 ZINC000408032672 438490950 /nfs/dbraw/zinc/49/09/50/438490950.db2.gz AJLJKGPACMEASG-KGLIPLIRSA-N 0 3 336.440 0.786 20 5 ECBDHN COC(=O)COc1ccc(CNC[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000353738760 438528964 /nfs/dbraw/zinc/52/89/64/438528964.db2.gz NRMMCAOFCCRCIT-LBPRGKRZSA-N 0 3 340.332 0.652 20 5 ECBDHN CN(C)CCOC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000353799474 438536908 /nfs/dbraw/zinc/53/69/08/438536908.db2.gz DEGUBHMOZGVOKZ-UHFFFAOYSA-N 0 3 325.369 0.361 20 5 ECBDHN Cn1cc(CNC[C@H]2CNCCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414977216 438724207 /nfs/dbraw/zinc/72/42/07/438724207.db2.gz POQHKQJKEUTIKB-MRXNPFEDSA-N 0 3 344.419 0.989 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(OCCO)cc2)c1 ZINC000576040397 438766121 /nfs/dbraw/zinc/76/61/21/438766121.db2.gz DEGRWRIJHOKUNH-CQSZACIVSA-N 0 3 336.348 0.313 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860717 438844441 /nfs/dbraw/zinc/84/44/41/438844441.db2.gz KYNFPTJCFKOKQD-CHWSQXEVSA-N 0 3 334.376 0.674 20 5 ECBDHN CCOC(=O)c1cc(C(=O)N[C@H](CO)CN(C)C)cc([N+](=O)[O-])c1 ZINC000588866212 438845919 /nfs/dbraw/zinc/84/59/19/438845919.db2.gz HPMDFEIUORDITB-LBPRGKRZSA-N 0 3 339.348 0.424 20 5 ECBDHN Cc1nn(CCC(=O)N[C@H](CO)CN2CCCC2)c(C)c1[N+](=O)[O-] ZINC000588869385 438847321 /nfs/dbraw/zinc/84/73/21/438847321.db2.gz OCQSQFPOTSZRKE-ZDUSSCGKSA-N 0 3 339.396 0.371 20 5 ECBDHN CNc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000577508593 438848027 /nfs/dbraw/zinc/84/80/27/438848027.db2.gz KEIBZPBEAVNJBS-MNOVXSKESA-N 0 3 333.348 0.021 20 5 ECBDHN COc1c(F)cc(S(=O)(=O)[N-][C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596048941 438919046 /nfs/dbraw/zinc/91/90/46/438919046.db2.gz GJRNXVNJROVFSG-LBPRGKRZSA-N 0 3 333.341 0.773 20 5 ECBDHN O=c1[nH]c(NCCCN2CCC(O)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000596086639 438921911 /nfs/dbraw/zinc/92/19/11/438921911.db2.gz VDGHTNPNPVOJQM-UHFFFAOYSA-N 0 3 347.375 1.502 20 5 ECBDHN CN(CC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000590551474 438930834 /nfs/dbraw/zinc/93/08/34/438930834.db2.gz YIHTVXOYNDWSAZ-KGLIPLIRSA-N 0 3 348.403 0.699 20 5 ECBDHN COC(=O)C1CCN(CCCNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590581348 438934046 /nfs/dbraw/zinc/93/40/46/438934046.db2.gz LNMYBBRMHIKZSC-UHFFFAOYSA-N 0 3 337.380 1.259 20 5 ECBDHN C[C@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596202177 438941113 /nfs/dbraw/zinc/94/11/13/438941113.db2.gz QRHJITLNTOCPTO-NSHDSACASA-N 0 3 336.392 0.975 20 5 ECBDHN CCCN(C)CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000567116234 439117173 /nfs/dbraw/zinc/11/71/73/439117173.db2.gz VVMSZNWYKAUZHQ-UHFFFAOYSA-N 0 3 346.391 1.408 20 5 ECBDHN N[C@H]1C[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496963 439064913 /nfs/dbraw/zinc/06/49/13/439064913.db2.gz VUNKUJKDXGXWLB-RYUDHWBXSA-N 0 3 347.375 0.167 20 5 ECBDHN COC(=O)[C@@H]1CN(C)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602840659 439143243 /nfs/dbraw/zinc/14/32/43/439143243.db2.gz OYZBMQWVRRLETB-GFCCVEGCSA-N 0 3 325.369 0.136 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597652386 439149496 /nfs/dbraw/zinc/14/94/96/439149496.db2.gz AOSPYJYZBDEPRL-LLVKDONJSA-N 0 3 333.348 0.637 20 5 ECBDHN CNc1nccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000597694550 439161083 /nfs/dbraw/zinc/16/10/83/439161083.db2.gz LDZFQYNIKIOZBX-STQMWFEESA-N 0 3 349.391 0.967 20 5 ECBDHN CCc1n[nH]c(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000597694803 439161712 /nfs/dbraw/zinc/16/17/12/439161712.db2.gz NXOBYQGAMUGCFA-NWDGAFQWSA-N 0 3 337.380 0.816 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)n1 ZINC000597694202 439161772 /nfs/dbraw/zinc/16/17/72/439161772.db2.gz JUFFXHZZUGLBNF-WCQYABFASA-N 0 3 337.380 0.746 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)n1 ZINC000597694201 439161803 /nfs/dbraw/zinc/16/18/03/439161803.db2.gz JUFFXHZZUGLBNF-DGCLKSJQSA-N 0 3 337.380 0.746 20 5 ECBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000592338066 439209224 /nfs/dbraw/zinc/20/92/24/439209224.db2.gz MVCINZUQMLDFLJ-DCAQKATOSA-N 0 3 342.375 0.643 20 5 ECBDHN COCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCO[C@@H]1C ZINC000489447164 439227844 /nfs/dbraw/zinc/22/78/44/439227844.db2.gz KBSGIBGMUKZFTG-KWCYVHTRSA-N 0 3 328.369 0.278 20 5 ECBDHN Cc1cc(C(=O)N(CCN(C)C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000598188613 439237524 /nfs/dbraw/zinc/23/75/24/439237524.db2.gz VPMOALQVSLEDPT-UHFFFAOYSA-N 0 3 336.392 0.995 20 5 ECBDHN CCN1CCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598596015 439284392 /nfs/dbraw/zinc/28/43/92/439284392.db2.gz NKYYPNPDLHYZRE-UHFFFAOYSA-N 0 3 336.396 0.753 20 5 ECBDHN CN1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000582061407 439287371 /nfs/dbraw/zinc/28/73/71/439287371.db2.gz QCEWLKPKSWVRKW-ZDUSSCGKSA-N 0 3 344.375 0.495 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000592870443 439294577 /nfs/dbraw/zinc/29/45/77/439294577.db2.gz DZTHZMUWZDEWMC-JTQLQIEISA-N 0 3 338.339 0.926 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)nc1 ZINC000593532467 439396069 /nfs/dbraw/zinc/39/60/69/439396069.db2.gz WLVWEHKPRQWWRV-SNVBAGLBSA-N 0 3 326.378 0.752 20 5 ECBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593546466 439400818 /nfs/dbraw/zinc/40/08/18/439400818.db2.gz LQQGARSYFKYJQO-LLVKDONJSA-N 0 3 328.394 0.952 20 5 ECBDHN CNC(=O)c1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000583376533 439456042 /nfs/dbraw/zinc/45/60/42/439456042.db2.gz RQCCLXWIHSNPEE-CQSZACIVSA-N 0 3 333.348 0.302 20 5 ECBDHN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)NCCN(C)C ZINC000583403065 439460869 /nfs/dbraw/zinc/46/08/69/439460869.db2.gz JIIFRIGLLHKYDT-QMMMGPOBSA-N 0 3 341.343 0.112 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594028000 439509580 /nfs/dbraw/zinc/50/95/80/439509580.db2.gz YPEDEBXMAKZIIA-UONOGXRCSA-N 0 3 334.376 0.593 20 5 ECBDHN CN1CCC[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000609257751 439556447 /nfs/dbraw/zinc/55/64/47/439556447.db2.gz KZRHTMNWBZIKNT-SNVBAGLBSA-N 0 3 346.343 0.401 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(CN)CCOCC1 ZINC000599897838 439571971 /nfs/dbraw/zinc/57/19/71/439571971.db2.gz NAGKOPWQBLQKJC-UHFFFAOYSA-N 0 3 336.348 0.466 20 5 ECBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594603932 439581060 /nfs/dbraw/zinc/58/10/60/439581060.db2.gz ORSYCSODVRLPBL-NWDGAFQWSA-N 0 3 335.360 0.945 20 5 ECBDHN CCNCc1ccn(Cc2cn(-c3ccc([N+](=O)[O-])cn3)nn2)n1 ZINC000594650097 439588017 /nfs/dbraw/zinc/58/80/17/439588017.db2.gz RDKBGORNZYTHCQ-UHFFFAOYSA-N 0 3 328.336 0.925 20 5 ECBDHN N[C@H]1C[C@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)CCN2C1=O ZINC000594702758 439593106 /nfs/dbraw/zinc/59/31/06/439593106.db2.gz XGHNABXNDCTHIP-CBAPKCEASA-N 0 3 334.361 0.348 20 5 ECBDHN COC[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000595111810 439654975 /nfs/dbraw/zinc/65/49/75/439654975.db2.gz PSQSKJIWZHIIGG-GFCCVEGCSA-N 0 3 330.366 0.037 20 5 ECBDHN N[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595123259 439657449 /nfs/dbraw/zinc/65/74/49/439657449.db2.gz URLLUUFCOCZHPD-CHWSQXEVSA-N 0 3 331.369 0.838 20 5 ECBDHN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595257676 439683776 /nfs/dbraw/zinc/68/37/76/439683776.db2.gz NWPMQRKOLMOYIA-GFCCVEGCSA-N 0 3 332.320 0.486 20 5 ECBDHN Cn1ncc(C(F)(F)F)c1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600744447 439697797 /nfs/dbraw/zinc/69/77/97/439697797.db2.gz FVOFWXILWDGTDN-VIFPVBQESA-N 0 3 348.285 0.694 20 5 ECBDHN CN(C)S(=O)(=O)CCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331143115 320890990 /nfs/dbraw/zinc/89/09/90/320890990.db2.gz MSCLOUDLVXWTGO-UHFFFAOYSA-N 0 3 345.425 0.710 20 5 ECBDHN CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)NCCN(C)C ZINC000340102654 321016573 /nfs/dbraw/zinc/01/65/73/321016573.db2.gz PYTLBUPMDBLXRL-ZDUSSCGKSA-N 0 3 339.396 0.745 20 5 ECBDHN CC(C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000345557302 321193784 /nfs/dbraw/zinc/19/37/84/321193784.db2.gz GRRXJBLCDSIOCJ-VHSXEESVSA-N 0 3 342.377 0.436 20 5 ECBDHN CCCN(CCN1CCN(CC)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000356588496 321539013 /nfs/dbraw/zinc/53/90/13/321539013.db2.gz AGAYRLBAMSBGNU-UHFFFAOYSA-N 0 3 338.412 0.808 20 5 ECBDHN CC(C)N1CCN([C@@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000531340871 322038219 /nfs/dbraw/zinc/03/82/19/322038219.db2.gz ZFJYSMPMHGXNRV-OAHLLOKOSA-N 0 3 336.440 0.892 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000533569502 322071307 /nfs/dbraw/zinc/07/13/07/322071307.db2.gz TXNBWRPLAPHCFG-HNNXBMFYSA-N 0 3 339.348 0.408 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CCN2C1=O ZINC000563430843 322317530 /nfs/dbraw/zinc/31/75/30/322317530.db2.gz BAASCBRXPXJOTJ-VXGBXAGGSA-N 0 3 327.344 0.891 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563976865 322357125 /nfs/dbraw/zinc/35/71/25/322357125.db2.gz PMVGHDAZPXHGEG-RYUDHWBXSA-N 0 3 333.348 0.679 20 5 ECBDHN C[C@@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000567605257 322589134 /nfs/dbraw/zinc/58/91/34/322589134.db2.gz KUHNCCNRNQSONB-CMPLNLGQSA-N 0 3 332.378 0.357 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](CO)Cc1ccncc1 ZINC000573564995 322763989 /nfs/dbraw/zinc/76/39/89/322763989.db2.gz PMWLRHTVVPGYTF-GJZGRUSLSA-N 0 3 347.371 0.923 20 5 ECBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000574523198 322780797 /nfs/dbraw/zinc/78/07/97/322780797.db2.gz LXGMCPVEBMFZJK-CYBMUJFWSA-N 0 3 342.421 0.421 20 5 ECBDHN CNS(=O)(=O)CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574805572 322785431 /nfs/dbraw/zinc/78/54/31/322785431.db2.gz AXYVTEKMMHBMHW-UHFFFAOYSA-N 0 3 330.366 0.062 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000186860307 545898424 /nfs/dbraw/zinc/89/84/24/545898424.db2.gz XKBWMZDXRHRJID-JTQLQIEISA-N 0 3 339.396 0.798 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000186860307 545898427 /nfs/dbraw/zinc/89/84/27/545898427.db2.gz XKBWMZDXRHRJID-JTQLQIEISA-N 0 3 339.396 0.798 20 5 ECBDHN CN(C)CCOCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000777782053 579302606 /nfs/dbraw/zinc/30/26/06/579302606.db2.gz OWUJCAOUQWCLEC-UHFFFAOYSA-N 0 3 326.309 0.811 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000844034229 589089973 /nfs/dbraw/zinc/08/99/73/589089973.db2.gz LCDARAGKDSTYFA-JTQLQIEISA-N 0 3 335.364 0.369 20 5 ECBDHN COc1ccc(C(=O)NCC(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813102214 587248077 /nfs/dbraw/zinc/24/80/77/587248077.db2.gz PIDYJANGEZLQBF-VIFPVBQESA-N 0 3 326.305 0.642 20 5 ECBDHN CCS(=O)(=O)NCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813104560 587248130 /nfs/dbraw/zinc/24/81/30/587248130.db2.gz ONYSODIMVXTCPV-JTQLQIEISA-N 0 3 330.362 0.948 20 5 ECBDHN CCNS(=O)(=O)c1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110649 587248600 /nfs/dbraw/zinc/24/86/00/587248600.db2.gz GKTHRPNACUWVIA-SNVBAGLBSA-N 0 3 330.362 0.736 20 5 ECBDHN CN1C[C@H]2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000816952330 587330197 /nfs/dbraw/zinc/33/01/97/587330197.db2.gz IDCWGUTZZFDTMQ-TZMCWYRMSA-N 0 3 333.344 0.949 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccnc2-n2ccnc2)c1 ZINC000818947945 587461591 /nfs/dbraw/zinc/46/15/91/587461591.db2.gz VEPKZQUZGBHNFT-AWEZNQCLSA-N 0 3 343.347 0.523 20 5 ECBDHN CN1CCN(C(=O)CCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819059172 587466547 /nfs/dbraw/zinc/46/65/47/587466547.db2.gz BLSNFDNRGNHQQO-OAHLLOKOSA-N 0 3 336.392 0.382 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCS(=O)(=O)C2CC2)c1 ZINC000819369609 587477724 /nfs/dbraw/zinc/47/77/24/587477724.db2.gz LUIZMQKXNTXCNR-GFCCVEGCSA-N 0 3 344.389 0.501 20 5 ECBDHN CC(=O)N1C[C@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000821331653 587586118 /nfs/dbraw/zinc/58/61/18/587586118.db2.gz BXJNQVOQSLBNTN-IJEWVQPXSA-N 0 3 349.387 0.745 20 5 ECBDHN COCCN(C)CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824999617 587909970 /nfs/dbraw/zinc/90/99/70/587909970.db2.gz OSYZOEFHXBTIRF-CQSZACIVSA-N 0 3 325.365 0.713 20 5 ECBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CCc2ccccc21 ZINC000829338713 588322445 /nfs/dbraw/zinc/32/24/45/588322445.db2.gz YRXQUMVJFHOIRO-NVXWUHKLSA-N 0 3 346.387 0.918 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000855697500 589642262 /nfs/dbraw/zinc/64/22/62/589642262.db2.gz BMLCHLULLSJEQA-UHFFFAOYSA-N 0 3 340.355 0.826 20 5 ECBDHN O=C1COC[C@@]2(CNC/C=C\c3ccccc3[N+](=O)[O-])COCCN12 ZINC000865800613 590158821 /nfs/dbraw/zinc/15/88/21/590158821.db2.gz KZGYCFHSKZDVBS-MAVJXHJTSA-N 0 3 347.371 0.825 20 5 ECBDHN CN(CCO)CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000884825190 590930387 /nfs/dbraw/zinc/93/03/87/590930387.db2.gz KNHPWMZHVVNFAX-UHFFFAOYSA-N 0 3 338.408 0.763 20 5 ECBDHN C[C@H]1COC[C@@H]1NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000932494367 611634448 /nfs/dbraw/zinc/63/44/48/611634448.db2.gz POSLCIKUJZIFSZ-BBRMVZONSA-N 0 3 348.403 0.868 20 5 ECBDHN CNC(=O)CN1CCCC12CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164683746 719726260 /nfs/dbraw/zinc/72/62/60/719726260.db2.gz FRVFRJQUXVJDQG-UHFFFAOYSA-N 0 3 348.407 0.753 20 5 ECBDHN COc1cncc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)n1 ZINC001167705537 738710049 /nfs/dbraw/zinc/71/00/49/738710049.db2.gz RJRBZWJYDHIBFY-UHFFFAOYSA-N 0 3 349.351 0.037 20 5 ECBDHN Cc1ncoc1C(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC000983428613 743123387 /nfs/dbraw/zinc/12/33/87/743123387.db2.gz OKZBXPAAMPTLDT-XYPYZODXSA-N 0 3 348.363 0.923 20 5 ECBDHN Cc1nonc1C(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997423902 743597244 /nfs/dbraw/zinc/59/72/44/743597244.db2.gz XNQPCFNKQBXEHE-UHFFFAOYSA-N 0 3 349.351 0.414 20 5 ECBDHN O=C(N[C@H]1C[C@H](CNCc2nc(C(F)F)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983655754 745004120 /nfs/dbraw/zinc/00/41/20/745004120.db2.gz VLBAVOUXKYPKNT-FNCVBFRFSA-N 0 3 345.306 0.657 20 5 ECBDHN COc1ccnc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001002784048 747781833 /nfs/dbraw/zinc/78/18/33/747781833.db2.gz XVKVNUYCSAAMQJ-HUUCEWRRSA-N 0 3 334.376 0.836 20 5 ECBDHN CN(CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001105434469 750087533 /nfs/dbraw/zinc/08/75/33/750087533.db2.gz WKZCPKAEYKZSHF-UHFFFAOYSA-N 0 3 349.391 0.686 20 5 ECBDHN O=C(Cc1nc[nH]n1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020904296 752315805 /nfs/dbraw/zinc/31/58/05/752315805.db2.gz RWXCMIJNGKYGGX-HAQNSBGRSA-N 0 3 330.348 0.692 20 5 ECBDHN O=C(Cn1cnnn1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021816615 757946343 /nfs/dbraw/zinc/94/63/43/757946343.db2.gz OOEUPMSIRFIIRL-TXEJJXNPSA-N 0 3 331.336 0.018 20 5 ECBDHN Cc1nnc(CN2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C3)o1 ZINC001048525266 760662533 /nfs/dbraw/zinc/66/25/33/760662533.db2.gz QWQYKWPMZPPINA-XVIXHAIJSA-N 0 3 349.391 0.902 20 5 ECBDHN Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]21 ZINC001060426689 766751583 /nfs/dbraw/zinc/75/15/83/766751583.db2.gz DPISHFQVJPDADM-ATCWAGBWSA-N 0 3 342.359 0.815 20 5 ECBDHN CN(CC(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1)C1CCC1 ZINC001056062598 770716584 /nfs/dbraw/zinc/71/65/84/770716584.db2.gz LTGOCAMLFVLSOK-UHFFFAOYSA-N 0 3 349.391 0.828 20 5 ECBDHN O=C(N[C@H]1C[C@H](NCc2nc(-c3ccco3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138937 772205621 /nfs/dbraw/zinc/20/56/21/772205621.db2.gz IXNMNKKRXRRWMH-GWOFURMSSA-N 0 3 347.331 0.732 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154303432 530055901 /nfs/dbraw/zinc/05/59/01/530055901.db2.gz IJWDUXGSEFBIIQ-OAHLLOKOSA-N 0 3 346.387 0.973 20 5 ECBDHN COCCNCCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193365521 240132908 /nfs/dbraw/zinc/13/29/08/240132908.db2.gz OQIDKQYEJHOIRW-UHFFFAOYSA-N 0 3 331.394 0.726 20 5 ECBDHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000263239665 245367440 /nfs/dbraw/zinc/36/74/40/245367440.db2.gz KSGMBQMPGFITPI-ZDUSSCGKSA-N 0 3 342.783 0.964 20 5 ECBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000264108814 246072041 /nfs/dbraw/zinc/07/20/41/246072041.db2.gz UZYIRTAFUBTPLK-UHFFFAOYSA-N 0 3 338.364 0.814 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCOCCN(C)C ZINC000441836234 210911600 /nfs/dbraw/zinc/91/16/00/210911600.db2.gz DPKDSOHJMIUYTK-UHFFFAOYSA-N 0 3 338.364 0.536 20 5 ECBDHN C[C@@H](CN)N(C)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419352412 209067314 /nfs/dbraw/zinc/06/73/14/209067314.db2.gz PQTUFJLNXUCMEM-LBPRGKRZSA-N 0 3 336.392 0.839 20 5 ECBDHN CN(C)CCN(Cc1ccccn1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000170949937 296719570 /nfs/dbraw/zinc/71/95/70/296719570.db2.gz FBDHNANTQOJFEL-UHFFFAOYSA-N 0 3 332.364 0.777 20 5 ECBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000246008419 165120929 /nfs/dbraw/zinc/12/09/29/165120929.db2.gz SRFOBRFXVKUCTM-JSGCOSHPSA-N 0 3 336.396 0.917 20 5 ECBDHN C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000269653964 263195018 /nfs/dbraw/zinc/19/50/18/263195018.db2.gz UXTOUSNFQNRQCV-CYBMUJFWSA-N 0 3 336.392 0.993 20 5 ECBDHN COc1cc(C(=O)NC[C@](C)(O)CN(C)C)cc([N+](=O)[O-])c1OC ZINC000269862237 263209233 /nfs/dbraw/zinc/20/92/33/263209233.db2.gz CWJMOIAJMSXBBE-HNNXBMFYSA-N 0 3 341.364 0.654 20 5 ECBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000271025094 263293611 /nfs/dbraw/zinc/29/36/11/263293611.db2.gz OMSPJRDCYXDKHN-GFCCVEGCSA-N 0 3 336.392 0.945 20 5 ECBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cn(C)c(=O)n(C)c1=O ZINC000283103888 264084092 /nfs/dbraw/zinc/08/40/92/264084092.db2.gz TWGZBBWDPXOFRZ-UHFFFAOYSA-N 0 3 332.360 0.667 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1COC[C@H]1O ZINC000285442194 264313706 /nfs/dbraw/zinc/31/37/06/264313706.db2.gz FUPHLUJVJAOJKY-CHWSQXEVSA-N 0 3 339.348 0.624 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295389013 265063374 /nfs/dbraw/zinc/06/33/74/265063374.db2.gz QTWVZKUXLSBUMU-QMMMGPOBSA-N 0 3 327.318 0.185 20 5 ECBDHN CN1CC[C@H]2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@H]21 ZINC000371702652 277178070 /nfs/dbraw/zinc/17/80/70/277178070.db2.gz ZCBQZXSVQDCCMG-GXFFZTMASA-N 0 3 340.405 0.773 20 5 ECBDHN CN1CC[C@H]2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375048374 277178385 /nfs/dbraw/zinc/17/83/85/277178385.db2.gz HXXFGTPKUYDGRI-IINYFYTJSA-N 0 3 340.405 0.773 20 5 ECBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000332620554 297059595 /nfs/dbraw/zinc/05/95/95/297059595.db2.gz CAIQANZNJLFIOU-ZDUSSCGKSA-N 0 3 334.376 0.843 20 5 ECBDHN C[C@@H](CNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N(C)C ZINC000345855111 298196562 /nfs/dbraw/zinc/19/65/62/298196562.db2.gz YRPUOKIWHVNTIE-JTQLQIEISA-N 0 3 348.359 0.928 20 5 ECBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000346724752 298329182 /nfs/dbraw/zinc/32/91/82/298329182.db2.gz XSFXHEPQYXXWJG-CYBMUJFWSA-N 0 3 325.369 0.361 20 5 ECBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CN2CCN1CCC2 ZINC000375984167 301224938 /nfs/dbraw/zinc/22/49/38/301224938.db2.gz KPLZFPJYWOWWSE-MRXNPFEDSA-N 0 3 332.404 0.986 20 5 ECBDHN C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000493280910 301527935 /nfs/dbraw/zinc/52/79/35/301527935.db2.gz BWFAEOZHUICIBE-IDVQTMNDSA-N 0 3 334.376 0.791 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)CCCO ZINC000109798369 436626307 /nfs/dbraw/zinc/62/63/07/436626307.db2.gz OWIMPCSESUIEAG-UHFFFAOYSA-N 0 3 325.365 0.909 20 5 ECBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C2CC2)C1 ZINC000057553413 436613653 /nfs/dbraw/zinc/61/36/53/436613653.db2.gz CLIOQINIPPIBOE-LBPRGKRZSA-N 0 3 332.360 0.678 20 5 ECBDHN CN1CCN(CCCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000540923590 302180082 /nfs/dbraw/zinc/18/00/82/302180082.db2.gz UEMKFCJHJLHNKV-UHFFFAOYSA-N 0 3 335.408 0.934 20 5 ECBDHN C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000272451317 436714752 /nfs/dbraw/zinc/71/47/52/436714752.db2.gz NMWNQVQSNCIIMS-LBPRGKRZSA-N 0 3 335.408 0.790 20 5 ECBDHN CN(CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000067701381 436721018 /nfs/dbraw/zinc/72/10/18/436721018.db2.gz JWXWNWQUVAWQOL-UHFFFAOYSA-N 0 3 330.348 1.000 20 5 ECBDHN COCCO[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245816860 436767480 /nfs/dbraw/zinc/76/74/80/436767480.db2.gz DEUWSVRUYWQKJY-KGLIPLIRSA-N 0 3 328.369 0.280 20 5 ECBDHN C[C@@](CN)(NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C1CC1 ZINC000237638029 436740478 /nfs/dbraw/zinc/74/04/78/436740478.db2.gz SXTWQJJTJOAJLY-AWEZNQCLSA-N 0 3 341.389 0.856 20 5 ECBDHN Cc1nn(C)c(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000156936126 436821604 /nfs/dbraw/zinc/82/16/04/436821604.db2.gz DAKGTDBGTDZCIM-LBPRGKRZSA-N 0 3 339.396 0.459 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000248492412 436804240 /nfs/dbraw/zinc/80/42/40/436804240.db2.gz OKXGYKBDCSSCAQ-WDEREUQCSA-N 0 3 339.396 0.798 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000248492412 436804241 /nfs/dbraw/zinc/80/42/41/436804241.db2.gz OKXGYKBDCSSCAQ-WDEREUQCSA-N 0 3 339.396 0.798 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000248492410 436804525 /nfs/dbraw/zinc/80/45/25/436804525.db2.gz OKXGYKBDCSSCAQ-QWRGUYRKSA-N 0 3 339.396 0.798 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000248492410 436804526 /nfs/dbraw/zinc/80/45/26/436804526.db2.gz OKXGYKBDCSSCAQ-QWRGUYRKSA-N 0 3 339.396 0.798 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCN1CCN(C)CC1 ZINC000133346489 436876338 /nfs/dbraw/zinc/87/63/38/436876338.db2.gz VIYAMBFBUJCTHT-UHFFFAOYSA-N 0 3 338.412 0.244 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(CCCO)C1 ZINC000295624117 436975580 /nfs/dbraw/zinc/97/55/80/436975580.db2.gz YXBUJUXVUJVOQT-ZDUSSCGKSA-N 0 3 337.376 0.937 20 5 ECBDHN NC(=O)C[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000175204077 437096663 /nfs/dbraw/zinc/09/66/63/437096663.db2.gz MCSQZSXVCFMDKG-TZMCWYRMSA-N 0 3 337.376 0.922 20 5 ECBDHN CCN1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301083355 437113352 /nfs/dbraw/zinc/11/33/52/437113352.db2.gz HFYFUOLZZKJILD-NSHDSACASA-N 0 3 336.396 0.527 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000176005395 437128625 /nfs/dbraw/zinc/12/86/25/437128625.db2.gz SKNFUJQUAVWGBE-UHFFFAOYSA-N 0 3 334.376 0.845 20 5 ECBDHN O=C(CN1CCCC1)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176229751 437135204 /nfs/dbraw/zinc/13/52/04/437135204.db2.gz GDFDQKRWDLXREK-UHFFFAOYSA-N 0 3 336.396 0.031 20 5 ECBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178197910 437208519 /nfs/dbraw/zinc/20/85/19/437208519.db2.gz MCMALUCYSIWNIW-UHFFFAOYSA-N 0 3 335.408 0.887 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](CO)[C@@H]1CCCO1 ZINC000447913782 304809275 /nfs/dbraw/zinc/80/92/75/304809275.db2.gz NKIVVNBMFYSIOB-DYEKYZERSA-N 0 3 326.349 0.464 20 5 ECBDHN CN(C)CCN1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290453372 437488630 /nfs/dbraw/zinc/48/86/30/437488630.db2.gz DMBNPSAQTUKJIQ-UHFFFAOYSA-N 0 3 336.396 0.527 20 5 ECBDHN Cc1ccc([C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)N(C)C)cc1 ZINC000343344438 437564275 /nfs/dbraw/zinc/56/42/75/437564275.db2.gz ZBEWFLFYXSICSZ-ZDUSSCGKSA-N 0 3 332.364 0.914 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291790499 437627868 /nfs/dbraw/zinc/62/78/68/437627868.db2.gz MRMVRTLSROKOLY-SJORKVTESA-N 0 3 346.387 0.788 20 5 ECBDHN CN(C)CCOCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000347170896 437844605 /nfs/dbraw/zinc/84/46/05/437844605.db2.gz JLOUODPXPVVGTE-UHFFFAOYSA-N 0 3 331.394 0.592 20 5 ECBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357907121 438096601 /nfs/dbraw/zinc/09/66/01/438096601.db2.gz HMIJBNWZIGAROQ-LLVKDONJSA-N 0 3 325.369 0.511 20 5 ECBDHN COc1cc(C(=O)NC[C@@]2(O)CCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000358044380 438128820 /nfs/dbraw/zinc/12/88/20/438128820.db2.gz ICYWBBDTMZFOBV-HNNXBMFYSA-N 0 3 339.348 0.408 20 5 ECBDHN CC(C)C[C@H](CN)NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418869183 438228211 /nfs/dbraw/zinc/22/82/11/438228211.db2.gz OPIVZYUQXGTNLU-CYBMUJFWSA-N 0 3 336.392 0.743 20 5 ECBDHN O=c1[nH]c(NC[C@H]2CN3CCC[C@H]3CO2)nc2ccc([N+](=O)[O-])cc21 ZINC000367714638 438240300 /nfs/dbraw/zinc/24/03/00/438240300.db2.gz DBOYNLZKGZREHX-RYUDHWBXSA-N 0 3 345.359 1.519 20 5 ECBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)CN1CCN(C)CC1 ZINC000359799733 438498894 /nfs/dbraw/zinc/49/88/94/438498894.db2.gz SVUDHMPVLVRDOW-NSHDSACASA-N 0 3 336.396 0.185 20 5 ECBDHN C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000576665339 438791995 /nfs/dbraw/zinc/79/19/95/438791995.db2.gz ZNEUXSYGSOXDNQ-LLVKDONJSA-N 0 3 337.380 0.189 20 5 ECBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN(C)C)cc1OC ZINC000588864255 438846701 /nfs/dbraw/zinc/84/67/01/438846701.db2.gz CPSHSMXRLQJMED-SNVBAGLBSA-N 0 3 341.364 0.654 20 5 ECBDHN C[C@@H](CS(C)(=O)=O)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564854815 438879894 /nfs/dbraw/zinc/87/98/94/438879894.db2.gz BREFELBTZRXTEE-JQWIXIFHSA-N 0 3 332.378 0.357 20 5 ECBDHN NC(C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000564909049 438886380 /nfs/dbraw/zinc/88/63/80/438886380.db2.gz MNXIVLPQOYXPFM-JTQLQIEISA-N 0 3 333.270 0.528 20 5 ECBDHN CCOc1cc(C(=O)N[C@H](CO)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000590369806 438913855 /nfs/dbraw/zinc/91/38/55/438913855.db2.gz NYLHLKIDBLWYGB-JTQLQIEISA-N 0 3 341.364 0.654 20 5 ECBDHN CN(C)C(=O)CCN1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596120714 438927864 /nfs/dbraw/zinc/92/78/64/438927864.db2.gz LJZRFUQHEWTXGZ-UHFFFAOYSA-N 0 3 336.396 0.927 20 5 ECBDHN N[C@H]1C[C@@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CCN2C1=O ZINC000565232222 438929759 /nfs/dbraw/zinc/92/97/59/438929759.db2.gz ADXWJKPEBQOZPS-NEPJUHHUSA-N 0 3 331.376 0.617 20 5 ECBDHN Cc1c(C(=O)N[C@@H](CO)CN(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000590548842 438931096 /nfs/dbraw/zinc/93/10/96/438931096.db2.gz GUBXNMCPGTUNIZ-LLVKDONJSA-N 0 3 348.363 0.136 20 5 ECBDHN CN1CC[C@@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000590776651 438957993 /nfs/dbraw/zinc/95/79/93/438957993.db2.gz SBKKKJNUIPBOEE-HIFRSBDPSA-N 0 3 346.387 0.877 20 5 ECBDHN COC(=O)COc1ccc(CNC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000591281911 438995951 /nfs/dbraw/zinc/99/59/51/438995951.db2.gz UWLOYKAVASWOIS-RYUDHWBXSA-N 0 3 341.339 0.936 20 5 ECBDHN Cn1cc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000519636742 439048070 /nfs/dbraw/zinc/04/80/70/439048070.db2.gz FSSRCUBSOAFRBO-UHFFFAOYSA-N 0 3 338.389 0.934 20 5 ECBDHN Cn1cc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)c([N+](=O)[O-])n1 ZINC000602681111 439122294 /nfs/dbraw/zinc/12/22/94/439122294.db2.gz JURREZITWBAQGY-CYBMUJFWSA-N 0 3 336.396 0.115 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000597652865 439149557 /nfs/dbraw/zinc/14/95/57/439149557.db2.gz FNTDQSCMNZIRTE-JTQLQIEISA-N 0 3 343.405 0.332 20 5 ECBDHN CCCN1CC[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342875 439253739 /nfs/dbraw/zinc/25/37/39/439253739.db2.gz OKGGXHATWYRHMQ-CYBMUJFWSA-N 0 3 334.376 0.925 20 5 ECBDHN CCc1n[nH]c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592872984 439293649 /nfs/dbraw/zinc/29/36/49/439293649.db2.gz NVOZKKXZVDDNQG-SECBINFHSA-N 0 3 338.368 0.072 20 5 ECBDHN CCc1[nH]nc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592872984 439293653 /nfs/dbraw/zinc/29/36/53/439293653.db2.gz NVOZKKXZVDDNQG-SECBINFHSA-N 0 3 338.368 0.072 20 5 ECBDHN C[C@H]1NCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000598666200 439299352 /nfs/dbraw/zinc/29/93/52/439299352.db2.gz VSVWQWACHPIJNK-MNOVXSKESA-N 0 3 335.364 0.925 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C[NH3+])CCOCC1 ZINC000599102250 439356623 /nfs/dbraw/zinc/35/66/23/439356623.db2.gz IPBSZOIALBJTEX-UHFFFAOYSA-N 0 3 329.378 0.689 20 5 ECBDHN CN1CCC(O)(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593498167 439388077 /nfs/dbraw/zinc/38/80/77/439388077.db2.gz WEMCBBDLKLLGBR-UHFFFAOYSA-N 0 3 325.340 0.849 20 5 ECBDHN CCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])cc(F)c2=O)CC1 ZINC000583024719 439412069 /nfs/dbraw/zinc/41/20/69/439412069.db2.gz HIXBLYBMQYPWIU-UHFFFAOYSA-N 0 3 326.328 0.496 20 5 ECBDHN CC(C)Oc1nc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000570409007 439418626 /nfs/dbraw/zinc/41/86/26/439418626.db2.gz DYPWVBXTWTXUQR-GHMZBOCLSA-N 0 3 335.364 0.525 20 5 ECBDHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000583576064 439484170 /nfs/dbraw/zinc/48/41/70/439484170.db2.gz BQXUVNFLVQBPFR-BPNCWPANSA-N 0 3 347.375 0.609 20 5 ECBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594217467 439528258 /nfs/dbraw/zinc/52/82/58/439528258.db2.gz XQNAZADRAFJYHA-LSDHHAIUSA-N 0 3 334.376 0.598 20 5 ECBDHN C[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C ZINC000572457395 439584593 /nfs/dbraw/zinc/58/45/93/439584593.db2.gz WCKXNLNNEUPTGY-LBPRGKRZSA-N 0 3 336.396 0.772 20 5 ECBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263980 439607174 /nfs/dbraw/zinc/60/71/74/439607174.db2.gz ADZKOSYTUFABPW-LLVKDONJSA-N 0 3 328.394 0.952 20 5 ECBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000595264320 439684798 /nfs/dbraw/zinc/68/47/98/439684798.db2.gz UMAWQDHJXUIFHU-UHFFFAOYSA-N 0 3 346.347 0.591 20 5 ECBDHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000346144011 321215925 /nfs/dbraw/zinc/21/59/25/321215925.db2.gz UCNFVSGUXCFNSX-QWRGUYRKSA-N 0 3 338.364 0.859 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1[C@H](CO)CC[C@H]1CO ZINC000347308831 321235463 /nfs/dbraw/zinc/23/54/63/321235463.db2.gz NNDRLRKWMDGWKY-RWMBFGLXSA-N 0 3 326.349 0.152 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-][C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])n1 ZINC000349785802 321314749 /nfs/dbraw/zinc/31/47/49/321314749.db2.gz VDHVPIKRRZWUGF-JTQLQIEISA-N 0 3 333.414 0.818 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-][C@@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])n1 ZINC000349785802 321314751 /nfs/dbraw/zinc/31/47/51/321314751.db2.gz VDHVPIKRRZWUGF-JTQLQIEISA-N 0 3 333.414 0.818 20 5 ECBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1COC[C@H]1O ZINC000352799839 321372885 /nfs/dbraw/zinc/37/28/85/321372885.db2.gz MYPRFESLRQIYEH-QWHCGFSZSA-N 0 3 337.332 0.584 20 5 ECBDHN CS(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc([N+](=O)[O-])c1 ZINC000368177085 321715559 /nfs/dbraw/zinc/71/55/59/321715559.db2.gz FJVKCMAEIFUWDY-UWVGGRQHSA-N 0 3 345.352 0.428 20 5 ECBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000531986310 322049787 /nfs/dbraw/zinc/04/97/87/322049787.db2.gz XTYBQPGZFCCDQI-CYBMUJFWSA-N 0 3 349.391 0.312 20 5 ECBDHN C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000560563781 322246916 /nfs/dbraw/zinc/24/69/16/322246916.db2.gz IDEKMFIKQADKMB-NSHDSACASA-N 0 3 338.364 0.156 20 5 ECBDHN CNC(=O)C(C)(C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562997596 322292123 /nfs/dbraw/zinc/29/21/23/322292123.db2.gz VXDUQEVRAUZKSV-UHFFFAOYSA-N 0 3 343.405 0.730 20 5 ECBDHN CNc1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000563819495 322346685 /nfs/dbraw/zinc/34/66/85/322346685.db2.gz LTIXNLBJYKQWMF-MRXNPFEDSA-N 0 3 334.376 0.823 20 5 ECBDHN CC(=O)Nc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000564845402 322398928 /nfs/dbraw/zinc/39/89/28/322398928.db2.gz XLEOVTGCBBZNTH-OAHLLOKOSA-N 0 3 333.348 0.900 20 5 ECBDHN C[S@@](=O)C1(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000573597028 322764527 /nfs/dbraw/zinc/76/45/27/322764527.db2.gz PYRLSYVQZHLXRU-VERVWZFWSA-N 0 3 328.390 0.835 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CCCS(=O)(=O)C2)c1 ZINC000574033032 322772083 /nfs/dbraw/zinc/77/20/83/322772083.db2.gz DFHZKMPPRYODDY-WCQYABFASA-N 0 3 344.389 0.501 20 5 ECBDHN CC(C)N1C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000574982731 322788549 /nfs/dbraw/zinc/78/85/49/322788549.db2.gz JASUDCKNNZXUBH-OLZOCXBDSA-N 0 3 337.376 0.933 20 5 ECBDHN CC(C)N1C[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000574982732 322788600 /nfs/dbraw/zinc/78/86/00/322788600.db2.gz JASUDCKNNZXUBH-QWHCGFSZSA-N 0 3 337.376 0.933 20 5 ECBDHN CCN1CCN(C[C@H](C)CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000264899236 535716831 /nfs/dbraw/zinc/71/68/31/535716831.db2.gz LCAZYYNKXXMBQN-LLVKDONJSA-N 0 3 338.412 0.630 20 5 ECBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000782161560 578721043 /nfs/dbraw/zinc/72/10/43/578721043.db2.gz BQFLOYLXJFWTOC-UHFFFAOYSA-N 0 3 328.332 0.929 20 5 ECBDHN CN1CCN(C)CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000897094039 586284796 /nfs/dbraw/zinc/28/47/96/586284796.db2.gz GKRSSWLFGBPRIK-UHFFFAOYSA-N 0 3 346.391 0.927 20 5 ECBDHN CNS(=O)(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OC ZINC000813103905 587248066 /nfs/dbraw/zinc/24/80/66/587248066.db2.gz HZUUDZVSNCNUIM-MRVPVSSYSA-N 0 3 332.334 0.425 20 5 ECBDHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112670 587248408 /nfs/dbraw/zinc/24/84/08/587248408.db2.gz SMYDJSAWKKPCRB-BDAKNGLRSA-N 0 3 328.412 0.256 20 5 ECBDHN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C2=O)cc1 ZINC000813114967 587248838 /nfs/dbraw/zinc/24/88/38/587248838.db2.gz YUSLSVAHZGFEFG-BZNIZROVSA-N 0 3 349.343 0.970 20 5 ECBDHN O=C(NC[C@@H]1CNCCO1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000818007504 587396553 /nfs/dbraw/zinc/39/65/53/587396553.db2.gz BUJAQRRNNWOBBT-ZDUSSCGKSA-N 0 3 334.376 0.913 20 5 ECBDHN COCc1nc2n(n1)C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000819152943 587470253 /nfs/dbraw/zinc/47/02/53/587470253.db2.gz FOLMQZISURMLQU-JSGCOSHPSA-N 0 3 347.375 0.971 20 5 ECBDHN NC(=O)C1=NO[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000819254215 587474505 /nfs/dbraw/zinc/47/45/05/587474505.db2.gz UODJMJYRXHEWFN-SECBINFHSA-N 0 3 335.320 0.143 20 5 ECBDHN CC(C)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820093241 587508559 /nfs/dbraw/zinc/50/85/59/587508559.db2.gz TXIXZRTXKYFOJQ-UHFFFAOYSA-N 0 3 332.368 0.948 20 5 ECBDHN COc1cc(CN2C(C)C(=O)N(C)S2(=O)=O)ccc1[N+](=O)[O-] ZINC000829561292 588330036 /nfs/dbraw/zinc/33/00/36/588330036.db2.gz RZOGSAHMWFPWTG-QMMMGPOBSA-N 0 3 329.334 0.511 20 5 ECBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CCN(C)C)C(=O)C1 ZINC000845632469 589165845 /nfs/dbraw/zinc/16/58/45/589165845.db2.gz ZXQFKEWHKUKCSO-UHFFFAOYSA-N 0 3 349.391 0.165 20 5 ECBDHN CC([C@H](OC(=O)CN1CCOCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845884405 589174581 /nfs/dbraw/zinc/17/45/81/589174581.db2.gz YZWRHLYAURSCOI-BONVTDFDSA-N 0 3 340.307 0.934 20 5 ECBDHN CC[N@H+](CCO)CC[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848588524 589301252 /nfs/dbraw/zinc/30/12/52/589301252.db2.gz VGFONKQFFNBJDV-UHFFFAOYSA-N 0 3 347.318 0.997 20 5 ECBDHN CC[N@@H+](CCO)CC[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848588524 589301253 /nfs/dbraw/zinc/30/12/53/589301253.db2.gz VGFONKQFFNBJDV-UHFFFAOYSA-N 0 3 347.318 0.997 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000854465367 589587656 /nfs/dbraw/zinc/58/76/56/589587656.db2.gz QGFFSDGNIBQJJC-LLVKDONJSA-N 0 3 340.336 0.474 20 5 ECBDHN Cc1c(C(=O)N[C@H](CO)CN(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000854466367 589587813 /nfs/dbraw/zinc/58/78/13/589587813.db2.gz BOXCVSVTSOZIAL-VIFPVBQESA-N 0 3 326.309 0.464 20 5 ECBDHN O=C([N-]CCN1CC[NH2+]CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857762764 589703957 /nfs/dbraw/zinc/70/39/57/589703957.db2.gz AYYJVCYHIUEIFD-UHFFFAOYSA-N 0 3 344.318 0.588 20 5 ECBDHN CC(=O)N(C)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000863573241 590024269 /nfs/dbraw/zinc/02/42/69/590024269.db2.gz MGUXDEGGRVVULH-MRXNPFEDSA-N 0 3 347.375 0.925 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000935446191 611371420 /nfs/dbraw/zinc/37/14/20/611371420.db2.gz LZEDIYURWUALBY-LBPRGKRZSA-N 0 3 338.412 0.242 20 5 ECBDHN C[C@@H]1COC[C@@H]1NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000932494368 611634817 /nfs/dbraw/zinc/63/48/17/611634817.db2.gz POSLCIKUJZIFSZ-CJNGLKHVSA-N 0 3 348.403 0.868 20 5 ECBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H](CO)CN1CCCC1 ZINC000908204231 609647439 /nfs/dbraw/zinc/64/74/39/609647439.db2.gz PLDOWOVLLQSJRG-GFCCVEGCSA-N 0 3 325.340 0.849 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]3OCCN[C@@H]3C2)c1 ZINC000923384538 611236156 /nfs/dbraw/zinc/23/61/56/611236156.db2.gz HDBMURNOPFYFMI-BMFZPTHFSA-N 0 3 337.376 0.397 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2ncccn2)CC1 ZINC000997107253 743244052 /nfs/dbraw/zinc/24/40/52/743244052.db2.gz MBGGDOMHIOKHHS-UHFFFAOYSA-N 0 3 345.363 0.513 20 5 ECBDHN Cn1nncc1CN1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001000155810 745297586 /nfs/dbraw/zinc/29/75/86/745297586.db2.gz VLSZAHYGUKRVEY-ZIAGYGMSSA-N 0 3 348.407 0.341 20 5 ECBDHN Cc1nccnc1CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000675172 745688703 /nfs/dbraw/zinc/68/87/03/745688703.db2.gz SJTHVIYMDXPVQH-UKRRQHHQSA-N 0 3 331.376 0.699 20 5 ECBDHN CN(C)c1ccncc1C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001003338162 748441373 /nfs/dbraw/zinc/44/13/73/748441373.db2.gz FDSCVPLFKKLSDJ-BXUZGUMPSA-N 0 3 347.375 0.001 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)Cc2ccon2)C1 ZINC000983345102 755312208 /nfs/dbraw/zinc/31/22/08/755312208.db2.gz YESCLUFYLNTYRF-UMSPYCQHSA-N 0 3 348.363 0.543 20 5 ECBDHN Nc1nc(NC/C=C\CNC(=O)CN2CCCC2)ncc1[N+](=O)[O-] ZINC001107199261 757585245 /nfs/dbraw/zinc/58/52/45/757585245.db2.gz AJVXTBCJTMPEJP-UPHRSURJSA-N 0 3 335.368 0.147 20 5 ECBDHN Cn1ncc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)n1 ZINC001022851209 759185104 /nfs/dbraw/zinc/18/51/04/759185104.db2.gz BCLJNQNRTKBOIW-TXEJJXNPSA-N 0 3 330.348 0.774 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCN(CC)CC2)n1 ZINC000427519839 210205911 /nfs/dbraw/zinc/20/59/11/210205911.db2.gz TUBZCKWMPJCJGT-UHFFFAOYSA-N 0 3 338.412 0.569 20 5 ECBDHN N[C@@H]1Cc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000424074645 209875322 /nfs/dbraw/zinc/87/53/22/209875322.db2.gz KESKXIKHMFTRTH-GFCCVEGCSA-N 0 3 328.328 0.673 20 5 ECBDHN C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000187144333 236129395 /nfs/dbraw/zinc/12/93/95/236129395.db2.gz JRDCYQBYSPAGAW-NSHDSACASA-N 0 3 337.380 0.309 20 5 ECBDHN COc1ccc(S(=O)(=O)N[C@@H]2CNCC[C@H]2C)cc1[N+](=O)[O-] ZINC000193418186 240157761 /nfs/dbraw/zinc/15/77/61/240157761.db2.gz HTPNIDVADRSKAZ-MWLCHTKSSA-N 0 3 329.378 0.880 20 5 ECBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000262749879 245160863 /nfs/dbraw/zinc/16/08/63/245160863.db2.gz GMWRZHPVTXWWSD-WDEREUQCSA-N 0 3 330.348 0.998 20 5 ECBDHN COc1cc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1O ZINC000080846825 217337594 /nfs/dbraw/zinc/33/75/94/217337594.db2.gz TZXXTASHIQOEKD-ZDUSSCGKSA-N 0 3 336.348 0.998 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](OCCO)C2)c1 ZINC000265198742 247289991 /nfs/dbraw/zinc/28/99/91/247289991.db2.gz JAIXLQPZFBWUMI-GOEBONIOSA-N 0 3 340.376 0.808 20 5 ECBDHN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000266308879 248240079 /nfs/dbraw/zinc/24/00/79/248240079.db2.gz ZXJUFTFJCGVAPK-LLVKDONJSA-N 0 3 338.389 0.693 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1=CC[NH2+]CC1 ZINC000189295750 165007885 /nfs/dbraw/zinc/00/78/85/165007885.db2.gz NGSGCPQPMHAPQU-UHFFFAOYSA-N 0 3 327.362 0.801 20 5 ECBDHN C[C@H]1NCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000262811532 165391715 /nfs/dbraw/zinc/39/17/15/165391715.db2.gz REYPJGMASCRIPA-MNOVXSKESA-N 0 3 348.359 0.529 20 5 ECBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269619098 263192199 /nfs/dbraw/zinc/19/21/99/263192199.db2.gz MKQURWITCMCNMI-CHWSQXEVSA-N 0 3 336.392 0.993 20 5 ECBDHN CCN1CCN(CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272551848 263352133 /nfs/dbraw/zinc/35/21/33/263352133.db2.gz ZBOZBWBZTGPBOE-UHFFFAOYSA-N 0 3 335.408 0.934 20 5 ECBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296954457 265126926 /nfs/dbraw/zinc/12/69/26/265126926.db2.gz XZXBAAYHCURKNH-NSHDSACASA-N 0 3 343.384 0.609 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNCC1(CCNC(=O)c2cnon2)CC1 ZINC001167495551 735282620 /nfs/dbraw/zinc/28/26/20/735282620.db2.gz RVQQKWGUYDBQOU-UHFFFAOYSA-N 0 3 349.351 0.401 20 5 ECBDHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189355523 437594143 /nfs/dbraw/zinc/59/41/43/437594143.db2.gz QIOVVBFXLFLDTH-CYBMUJFWSA-N 0 3 336.392 0.922 20 5 ECBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCOCCO ZINC000337423963 297187333 /nfs/dbraw/zinc/18/73/33/297187333.db2.gz CIZCGSXRJGTLBS-UHFFFAOYSA-N 0 3 339.348 0.834 20 5 ECBDHN C[C@H](C[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000347637733 298478468 /nfs/dbraw/zinc/47/84/68/298478468.db2.gz ZKKYMBYCZFMNEQ-ZCFIWIBFSA-N 0 3 338.183 0.983 20 5 ECBDHN COCCCN1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000363658183 300283970 /nfs/dbraw/zinc/28/39/70/300283970.db2.gz MUYHHHLYEUKFRO-UHFFFAOYSA-N 0 3 339.396 0.752 20 5 ECBDHN C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN1C1CCN(C)CC1 ZINC000374597450 301115798 /nfs/dbraw/zinc/11/57/98/301115798.db2.gz UVOCJADSJDLLQB-ZDUSSCGKSA-N 0 3 336.440 0.929 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1NCCc2ccccc21 ZINC000375954006 301222806 /nfs/dbraw/zinc/22/28/06/301222806.db2.gz MSDQOLNISSNIOE-HNNXBMFYSA-N 0 3 342.355 0.760 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCN2C)cc1C ZINC000394070386 301452929 /nfs/dbraw/zinc/45/29/29/301452929.db2.gz VDAOIWFBNRFIPZ-LBPRGKRZSA-N 0 3 342.421 0.394 20 5 ECBDHN CN1CC[NH2+]C[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000394104211 301452980 /nfs/dbraw/zinc/45/29/80/301452980.db2.gz RJPWWCREZVMLPX-JTQLQIEISA-N 0 3 348.812 0.430 20 5 ECBDHN COC(=O)N1CC(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000497012633 301558555 /nfs/dbraw/zinc/55/85/55/301558555.db2.gz BQRBEPOIPAFJJC-LBPRGKRZSA-N 0 3 325.321 0.375 20 5 ECBDHN CN(C)CCN(Cc1cccs1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000084251681 436379636 /nfs/dbraw/zinc/37/96/36/436379636.db2.gz FKIRCWXQRIYDBZ-UHFFFAOYSA-N 0 3 338.393 0.838 20 5 ECBDHN CC(C)(C)[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000109332112 436624390 /nfs/dbraw/zinc/62/43/90/436624390.db2.gz OONJFWIUFMAJJA-WCQYABFASA-N 0 3 325.365 0.824 20 5 ECBDHN NS(=O)(=O)c1ccc(N2CCCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000057857776 436617146 /nfs/dbraw/zinc/61/71/46/436617146.db2.gz MZEBPCPTJNBRNH-UHFFFAOYSA-N 0 3 340.405 0.917 20 5 ECBDHN CN1CCN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000530909562 302035330 /nfs/dbraw/zinc/03/53/30/302035330.db2.gz CUZSERUXCAHCCH-UHFFFAOYSA-N 0 3 335.408 0.934 20 5 ECBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532393043 302076488 /nfs/dbraw/zinc/07/64/88/302076488.db2.gz DSUWRBNNHCSNPF-UHFFFAOYSA-N 0 3 347.375 0.370 20 5 ECBDHN CN(C)C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCO1 ZINC000116787215 436651649 /nfs/dbraw/zinc/65/16/49/436651649.db2.gz JJLXCSFFTSNYIF-GFCCVEGCSA-N 0 3 325.369 0.315 20 5 ECBDHN CN(CC(=O)NC[C@]1(O)CN2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000554866695 302428401 /nfs/dbraw/zinc/42/84/01/302428401.db2.gz JGHJYEYIBADLPO-KRWDZBQOSA-N 0 3 348.403 0.604 20 5 ECBDHN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCNCC1 ZINC000237851037 436746165 /nfs/dbraw/zinc/74/61/65/436746165.db2.gz QDMNZQSFFKTFCQ-UHFFFAOYSA-N 0 3 340.767 0.800 20 5 ECBDHN O=C1C[C@@H]([C@H]2CCCCN2CCn2cc([N+](=O)[O-])ccc2=O)CN1 ZINC000125125677 436763915 /nfs/dbraw/zinc/76/39/15/436763915.db2.gz DAQIDYBYCOLVQT-TZMCWYRMSA-N 0 3 334.376 0.747 20 5 ECBDHN C[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000069534309 436779984 /nfs/dbraw/zinc/77/99/84/436779984.db2.gz ZODNRNFWEDKITM-LLVKDONJSA-N 0 3 334.376 0.924 20 5 ECBDHN CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2CN)cc([N+](=O)[O-])c1 ZINC000160384612 436871109 /nfs/dbraw/zinc/87/11/09/436871109.db2.gz QSBMEHAKNTZXBM-SNVBAGLBSA-N 0 3 327.362 0.562 20 5 ECBDHN CN1CCC[C@@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299278007 437065814 /nfs/dbraw/zinc/06/58/14/437065814.db2.gz LILMWDCOFSXCSK-CQSZACIVSA-N 0 3 334.376 0.925 20 5 ECBDHN O=C1CNC(=O)N1CCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331460889 437100191 /nfs/dbraw/zinc/10/01/91/437100191.db2.gz ZDAXKKROMBGXND-UHFFFAOYSA-N 0 3 336.352 0.370 20 5 ECBDHN CN1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000316255662 437186305 /nfs/dbraw/zinc/18/63/05/437186305.db2.gz ACBAZLRRGDVZHP-JTQLQIEISA-N 0 3 348.812 0.512 20 5 ECBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000316997898 437191222 /nfs/dbraw/zinc/19/12/22/437191222.db2.gz LSHYYKRMAVBQQS-LLVKDONJSA-N 0 3 328.394 0.167 20 5 ECBDHN CN1CCN(C(=O)CCN2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000332449486 437224451 /nfs/dbraw/zinc/22/44/51/437224451.db2.gz DZWHLFTZXHYIAL-UHFFFAOYSA-N 0 3 333.392 0.512 20 5 ECBDHN COC(=O)CNC(=O)c1ccc(N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000267093993 437289377 /nfs/dbraw/zinc/28/93/77/437289377.db2.gz VHYOQULQQJKAJL-UHFFFAOYSA-N 0 3 338.364 0.495 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]C[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000339047899 437437264 /nfs/dbraw/zinc/43/72/64/437437264.db2.gz HMSRPOTYSHELKJ-SNVBAGLBSA-N 0 3 343.409 0.574 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]C[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000339047899 437437270 /nfs/dbraw/zinc/43/72/70/437437270.db2.gz HMSRPOTYSHELKJ-SNVBAGLBSA-N 0 3 343.409 0.574 20 5 ECBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000360312936 437581784 /nfs/dbraw/zinc/58/17/84/437581784.db2.gz ZZNLOIJLNVVBMF-GXTWGEPZSA-N 0 3 344.375 0.823 20 5 ECBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCCC[C@@H]1CN ZINC000423630207 437785000 /nfs/dbraw/zinc/78/50/00/437785000.db2.gz YHZPCPDVDXUWBQ-CYBMUJFWSA-N 0 3 334.376 0.893 20 5 ECBDHN CN(C)CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000364951872 437834992 /nfs/dbraw/zinc/83/49/92/437834992.db2.gz IFWWQNYCBDMYTI-UHFFFAOYSA-N 0 3 335.408 0.887 20 5 ECBDHN CN(C)C1(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000416289461 437904163 /nfs/dbraw/zinc/90/41/63/437904163.db2.gz JOXZDOCYJRQARE-UHFFFAOYSA-N 0 3 330.348 1.000 20 5 ECBDHN CC1(C)CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000357323502 437963494 /nfs/dbraw/zinc/96/34/94/437963494.db2.gz UMUVVJAAXXZZDF-UHFFFAOYSA-N 0 3 334.376 0.925 20 5 ECBDHN CN1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000372013693 438021207 /nfs/dbraw/zinc/02/12/07/438021207.db2.gz PHIBRUDNRVKAGU-AWEZNQCLSA-N 0 3 333.392 0.842 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCOC2(CNC2)C1 ZINC000417174194 438029021 /nfs/dbraw/zinc/02/90/21/438029021.db2.gz HUOMAZRLZZHVPK-UHFFFAOYSA-N 0 3 336.348 0.487 20 5 ECBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[C@H]1N1CCN(C)CC1 ZINC000374311693 438202682 /nfs/dbraw/zinc/20/26/82/438202682.db2.gz POSCYBFONBFITI-NWDGAFQWSA-N 0 3 335.412 0.429 20 5 ECBDHN CC(C)c1n[nH]c(C(=O)NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000433869143 438267119 /nfs/dbraw/zinc/26/71/19/438267119.db2.gz PYUNUPYXIGXBTJ-UHFFFAOYSA-N 0 3 338.412 0.809 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351492392 438270902 /nfs/dbraw/zinc/27/09/02/438270902.db2.gz JZHDDQQXCCFMRC-AWEZNQCLSA-N 0 3 342.327 0.101 20 5 ECBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000351499577 438273158 /nfs/dbraw/zinc/27/31/58/438273158.db2.gz DSOCNSQJLBUXDP-GFCCVEGCSA-N 0 3 336.323 0.979 20 5 ECBDHN COc1ccc(OCCN2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368639156 438358077 /nfs/dbraw/zinc/35/80/77/438358077.db2.gz SJXFVPUQESQMCF-NEPJUHHUSA-N 0 3 349.343 0.577 20 5 ECBDHN CN(C)CCn1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000352335221 438410739 /nfs/dbraw/zinc/41/07/39/438410739.db2.gz SDSIEAJKEFCWTI-UHFFFAOYSA-N 0 3 347.331 1.334 20 5 ECBDHN C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[C@H]1N1CCN(C)CC1 ZINC000408032673 438492272 /nfs/dbraw/zinc/49/22/72/438492272.db2.gz AJLJKGPACMEASG-UONOGXRCSA-N 0 3 336.440 0.786 20 5 ECBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000359843008 438507963 /nfs/dbraw/zinc/50/79/63/438507963.db2.gz QUHGKEVWKAZEDB-ZFWWWQNUSA-N 0 3 326.349 0.418 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3ccncn3)C2)c1 ZINC000369783908 438513512 /nfs/dbraw/zinc/51/35/12/438513512.db2.gz XICGMQUCTBXBRP-GXTWGEPZSA-N 0 3 332.364 0.822 20 5 ECBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CN3CCC2CC3)c1 ZINC000576257910 438775073 /nfs/dbraw/zinc/77/50/73/438775073.db2.gz IPQHUWMXGGWZHT-INIZCTEOSA-N 0 3 335.360 0.790 20 5 ECBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000595948624 438897014 /nfs/dbraw/zinc/89/70/14/438897014.db2.gz SUWYZTVQIBCVQH-UHFFFAOYSA-N 0 3 331.332 0.798 20 5 ECBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000595891763 438879680 /nfs/dbraw/zinc/87/96/80/438879680.db2.gz OCDSUBYFEGGHES-NSHDSACASA-N 0 3 340.405 0.403 20 5 ECBDHN CC(C)c1n[n-]c(C(=O)N2CC(C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000590392189 438919066 /nfs/dbraw/zinc/91/90/66/438919066.db2.gz MYAUFWNWZLERLI-UHFFFAOYSA-N 0 3 337.380 0.846 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590444203 438925522 /nfs/dbraw/zinc/92/55/22/438925522.db2.gz MCTOYAOKWDYNCG-ZFWWWQNUSA-N 0 3 346.387 0.796 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596288905 438950408 /nfs/dbraw/zinc/95/04/08/438950408.db2.gz QQWOJNKBFKJJML-JTQLQIEISA-N 0 3 335.364 0.250 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000596468743 438966045 /nfs/dbraw/zinc/96/60/45/438966045.db2.gz NEJPAASEMWLIKE-UHFFFAOYSA-N 0 3 325.369 0.025 20 5 ECBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCOC2(CNC2)C1 ZINC000596580568 438976824 /nfs/dbraw/zinc/97/68/24/438976824.db2.gz OHRCHWIBIKAFHI-UHFFFAOYSA-N 0 3 325.752 0.992 20 5 ECBDHN CCCc1n[nH]c(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000518806219 439010451 /nfs/dbraw/zinc/01/04/51/439010451.db2.gz VXVFRVIWERHIDN-OAHLLOKOSA-N 0 3 337.380 0.457 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCC2(O)CCC2)cc1 ZINC000579227567 438990028 /nfs/dbraw/zinc/99/00/28/438990028.db2.gz QJEWYCUMTGYSCD-UHFFFAOYSA-N 0 3 329.378 0.378 20 5 ECBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000519000588 439019972 /nfs/dbraw/zinc/01/99/72/439019972.db2.gz FUYLJFSWYTXGFO-DDTOSNHZSA-N 0 3 347.375 0.166 20 5 ECBDHN Cn1ccc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000580184243 439069023 /nfs/dbraw/zinc/06/90/23/439069023.db2.gz MAUHZXDLSHNOJR-UHFFFAOYSA-N 0 3 338.389 0.934 20 5 ECBDHN COc1cccc2c1OC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000591733837 439078062 /nfs/dbraw/zinc/07/80/62/439078062.db2.gz RQVQXNWWCKVBLF-GXTWGEPZSA-N 0 3 348.359 0.754 20 5 ECBDHN CN1C(=O)CC[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000567692724 439166778 /nfs/dbraw/zinc/16/67/78/439166778.db2.gz BHEFBKXCAQZURG-LLVKDONJSA-N 0 3 334.332 0.660 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)C[C@H]1CO ZINC000602906157 439158523 /nfs/dbraw/zinc/15/85/23/439158523.db2.gz QIOKHOWIWKPJLN-AWEZNQCLSA-N 0 3 336.392 0.840 20 5 ECBDHN CCc1n[nH]c(C(=O)N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000597693059 439160404 /nfs/dbraw/zinc/16/04/04/439160404.db2.gz AENMRJDXMHTHFJ-UHFFFAOYSA-N 0 3 336.396 0.200 20 5 ECBDHN CCc1[nH]nc(C(=O)N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000597693059 439160405 /nfs/dbraw/zinc/16/04/05/439160405.db2.gz AENMRJDXMHTHFJ-UHFFFAOYSA-N 0 3 336.396 0.200 20 5 ECBDHN O=C(Nc1nc(N2CCNCC2)n[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000592303446 439197124 /nfs/dbraw/zinc/19/71/24/439197124.db2.gz WXSIRIXDNAOQAP-UHFFFAOYSA-N 0 3 335.299 0.514 20 5 ECBDHN CCCN1CC[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342876 439253506 /nfs/dbraw/zinc/25/35/06/439253506.db2.gz OKGGXHATWYRHMQ-ZDUSSCGKSA-N 0 3 334.376 0.925 20 5 ECBDHN Cc1nn(C)c(C(=O)N2CCOC3(CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000592898613 439300209 /nfs/dbraw/zinc/30/02/09/439300209.db2.gz JYXUQQIUOKLAGI-UHFFFAOYSA-N 0 3 337.380 0.574 20 5 ECBDHN COC(=O)c1ccnc(N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000599097009 439354605 /nfs/dbraw/zinc/35/46/05/439354605.db2.gz AJUHMFOHXMYOLM-UHFFFAOYSA-N 0 3 349.391 0.460 20 5 ECBDHN CN(C(=O)CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000570156128 439395931 /nfs/dbraw/zinc/39/59/31/439395931.db2.gz YGIGNLLUFLZBQP-CQSZACIVSA-N 0 3 339.396 0.533 20 5 ECBDHN CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H](CN)C1CC1 ZINC000583024276 439412120 /nfs/dbraw/zinc/41/21/20/439412120.db2.gz SYLDCACXEKBGSC-CYBMUJFWSA-N 0 3 341.389 0.808 20 5 ECBDHN N[C@H]1C[C@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000571300023 439492519 /nfs/dbraw/zinc/49/25/19/439492519.db2.gz UWRPWUAOGHZOIR-STQMWFEESA-N 0 3 333.348 0.048 20 5 ECBDHN COc1ccc(NC(=O)CCN2C[C@H](O)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000610614621 439631304 /nfs/dbraw/zinc/63/13/04/439631304.db2.gz GNWIUCPBUFRAMA-PHIMTYICSA-N 0 3 339.348 0.360 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN2CC[C@@H](O)C2)c1 ZINC000600532918 439674600 /nfs/dbraw/zinc/67/46/00/439674600.db2.gz PBXYLMZMPWMNMH-CYBMUJFWSA-N 0 3 337.376 0.855 20 5 ECBDHN Cc1c(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595230197 439676271 /nfs/dbraw/zinc/67/62/71/439676271.db2.gz MFXBWNSUNBVIEY-WDEREUQCSA-N 0 3 333.348 0.679 20 5 ECBDHN O=C(CCc1[nH]c(O)nc1O)Nc1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000611158210 439676554 /nfs/dbraw/zinc/67/65/54/439676554.db2.gz KQDVNACQSBCGGJ-SECBINFHSA-N 0 3 332.276 0.398 20 5 ECBDHN Cc1c(C(=O)N2CC[C@@H](F)[C@H](N)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000595261409 439683644 /nfs/dbraw/zinc/68/36/44/439683644.db2.gz ZIDIGWUZOISDTM-CHWSQXEVSA-N 0 3 348.338 0.995 20 5 ECBDHN O=C([C@H]1CN2CCN1CCC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615879879 439808100 /nfs/dbraw/zinc/80/81/00/439808100.db2.gz NALTVYXMQIPEKR-MRXNPFEDSA-N 0 3 346.387 0.574 20 5 ECBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000343044904 321119067 /nfs/dbraw/zinc/11/90/67/321119067.db2.gz ZTFCSMWZNNGDQV-CQSZACIVSA-N 0 3 344.375 0.967 20 5 ECBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000344732861 321162023 /nfs/dbraw/zinc/16/20/23/321162023.db2.gz SIRUYWVGNJMQPO-CYBMUJFWSA-N 0 3 337.424 0.937 20 5 ECBDHN C[C@@H]1CN(C)C[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349684499 321312958 /nfs/dbraw/zinc/31/29/58/321312958.db2.gz KLXYZEPJDBIRAE-RISCZKNCSA-N 0 3 327.406 0.908 20 5 ECBDHN COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000352246787 321354657 /nfs/dbraw/zinc/35/46/57/321354657.db2.gz SGQMKKAJQHUJAN-UHFFFAOYSA-N 0 3 325.369 0.937 20 5 ECBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000368220879 321717697 /nfs/dbraw/zinc/71/76/97/321717697.db2.gz GUPMPOSVYGAWPN-IUCAKERBSA-N 0 3 325.296 0.796 20 5 ECBDHN O=C([C@@H]1CN2CCN1CCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534284425 322074654 /nfs/dbraw/zinc/07/46/54/322074654.db2.gz CNTSXNXAVLRADS-INIZCTEOSA-N 0 3 330.388 0.869 20 5 ECBDHN CN1C(=O)CC[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000567692725 322593125 /nfs/dbraw/zinc/59/31/25/322593125.db2.gz BHEFBKXCAQZURG-NSHDSACASA-N 0 3 334.332 0.660 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000574340546 322777779 /nfs/dbraw/zinc/77/77/79/322777779.db2.gz JJWXMRBNHBAGPX-NEPJUHHUSA-N 0 3 347.375 0.987 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H]1COC[C@H]1OC ZINC000574914980 322787424 /nfs/dbraw/zinc/78/74/24/322787424.db2.gz VJFPKDSLJCQHJM-TZMCWYRMSA-N 0 3 339.348 0.935 20 5 ECBDHN Cc1n[nH]c(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000341600728 518185747 /nfs/dbraw/zinc/18/57/47/518185747.db2.gz WFMLRGHIXKKMIT-LLVKDONJSA-N 0 3 325.369 0.449 20 5 ECBDHN CC(COC(=O)c1c(I)cnn1C)[N+](=O)[O-] ZINC000797277559 578631934 /nfs/dbraw/zinc/63/19/34/578631934.db2.gz CGGQPDVMMXJFOK-YFKPBYRVSA-N 0 3 339.089 0.847 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000762721828 579546965 /nfs/dbraw/zinc/54/69/65/579546965.db2.gz OMCIZOUHVHNASG-CYBMUJFWSA-N 0 3 337.361 0.396 20 5 ECBDHN C[C@H](CNCc1cn(C)c(=O)n(C)c1=O)c1ccccc1[N+](=O)[O-] ZINC000897469370 586327560 /nfs/dbraw/zinc/32/75/60/586327560.db2.gz JDEGVSXEBUEQIZ-LLVKDONJSA-N 0 3 332.360 0.886 20 5 ECBDHN Cc1nc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1[C@H](C)O ZINC000843104753 589050584 /nfs/dbraw/zinc/05/05/84/589050584.db2.gz BCGKQDLLTUMJDP-SMDDNHRTSA-N 0 3 335.364 0.699 20 5 ECBDHN Cc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000844038186 589090471 /nfs/dbraw/zinc/09/04/71/589090471.db2.gz XDPFJAAYBAGVLZ-NSHDSACASA-N 0 3 349.391 0.677 20 5 ECBDHN COCCNS(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108596 587248593 /nfs/dbraw/zinc/24/85/93/587248593.db2.gz IAQGUYWSPHUEKO-SNVBAGLBSA-N 0 3 346.361 0.433 20 5 ECBDHN CC(COC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)[N+](=O)[O-] ZINC000813114274 587248958 /nfs/dbraw/zinc/24/89/58/587248958.db2.gz OPVDFNHHCHXPRU-SNVBAGLBSA-N 0 3 330.362 0.688 20 5 ECBDHN CN(C)c1cc(F)c(C(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000828505807 588185367 /nfs/dbraw/zinc/18/53/67/588185367.db2.gz XPEQLODIFKTQRD-HNNXBMFYSA-N 0 3 340.355 0.596 20 5 ECBDHN C[NH+](C)C[C@](C)(O)C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848585184 589300805 /nfs/dbraw/zinc/30/08/05/589300805.db2.gz HOTSDUQJFRIKOI-CYBMUJFWSA-N 0 3 347.318 0.995 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000854465368 589587827 /nfs/dbraw/zinc/58/78/27/589587827.db2.gz QGFFSDGNIBQJJC-NSHDSACASA-N 0 3 340.336 0.474 20 5 ECBDHN CN1CC[C@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000867811222 589846646 /nfs/dbraw/zinc/84/66/46/589846646.db2.gz AWUNUWBYCYMTFB-QWRGUYRKSA-N 0 3 326.378 0.705 20 5 ECBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867811069 589846814 /nfs/dbraw/zinc/84/68/14/589846814.db2.gz NLIPJQICVYOOFZ-MNOVXSKESA-N 0 3 326.378 0.705 20 5 ECBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000876469636 590377879 /nfs/dbraw/zinc/37/78/79/590377879.db2.gz FVNCWGDCKPBZEG-AWEZNQCLSA-N 0 3 327.337 0.607 20 5 ECBDHN O=C1CC[C@@H](N2CCN(Cc3cccnc3[N+](=O)[O-])CC2)CCN1 ZINC000886237083 590816936 /nfs/dbraw/zinc/81/69/36/590816936.db2.gz VETUGCFPEXRMHL-CQSZACIVSA-N 0 3 333.392 0.776 20 5 ECBDHN CCOc1ccc(C(=O)N(C)CCN(C)CCO)cc1[N+](=O)[O-] ZINC000912610178 609978300 /nfs/dbraw/zinc/97/83/00/609978300.db2.gz GGFDDMGBRJVHEZ-UHFFFAOYSA-N 0 3 325.365 0.990 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2ccnnc2)C1 ZINC000984851361 747024645 /nfs/dbraw/zinc/02/46/45/747024645.db2.gz MKWYDFMUDXLXTC-UMSPYCQHSA-N 0 3 345.363 0.417 20 5 ECBDHN O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])C12CC[NH+](CC1)C2 ZINC001107277246 758139545 /nfs/dbraw/zinc/13/95/45/758139545.db2.gz ZBHYRZFCXQIXGE-OWOJBTEDSA-N 0 3 347.375 0.876 20 5 ECBDHN Cn1nnc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)n1 ZINC001022559551 758886834 /nfs/dbraw/zinc/88/68/34/758886834.db2.gz SIQHAIPUFCGSGA-PHIMTYICSA-N 0 3 331.336 0.169 20 5 ECBDHN Cc1ncc(CN2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001045437627 775611577 /nfs/dbraw/zinc/61/15/77/775611577.db2.gz VWIIUHQCFDRKRN-ZIAGYGMSSA-N 0 3 333.392 0.921 20 5 ECBDHN COc1ccc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cn1 ZINC001072721121 788648007 /nfs/dbraw/zinc/64/80/07/788648007.db2.gz FCKGFZCTRAQGDO-ZIAGYGMSSA-N 0 3 346.387 0.790 20 5 ECBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCN(Cc1cncc(F)c1)C2 ZINC001072721074 788648033 /nfs/dbraw/zinc/64/80/33/788648033.db2.gz BZUHMMQLXTVBMM-ZIAGYGMSSA-N 0 3 334.351 0.920 20 5 ECBDHN CN(C)C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000116900708 282128334 /nfs/dbraw/zinc/12/83/34/282128334.db2.gz QBUNEMGMJBHIOK-SNVBAGLBSA-N 0 3 347.368 0.685 20 5 ECBDHN CNS(=O)(=O)CCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447595794 290757688 /nfs/dbraw/zinc/75/76/88/290757688.db2.gz ATXFCLNSLAINGL-GHMZBOCLSA-N 0 3 331.398 0.414 20 5 ECBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000103122850 219258351 /nfs/dbraw/zinc/25/83/51/219258351.db2.gz FWSVNQVUJQCJKX-UHFFFAOYSA-N 0 3 346.387 0.975 20 5 ECBDHN NCCNC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000419844241 209222326 /nfs/dbraw/zinc/22/23/26/209222326.db2.gz YXNQXTNCXJKQAF-UHFFFAOYSA-N 0 3 336.348 0.040 20 5 ECBDHN Cc1cnn([C@@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000246845513 243326000 /nfs/dbraw/zinc/32/60/00/243326000.db2.gz ZJNMPWZMHVLEGE-UKRRQHHQSA-N 0 3 334.380 0.994 20 5 ECBDHN COC(=O)[C@@H]1CC12CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000266563088 248361548 /nfs/dbraw/zinc/36/15/48/248361548.db2.gz YKUNVXIOAJKHDE-STQMWFEESA-N 0 3 338.364 0.427 20 5 ECBDHN CC(COC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)[N+](=O)[O-] ZINC000496352896 255093278 /nfs/dbraw/zinc/09/32/78/255093278.db2.gz VVLHYXRFUNBHDY-SNVBAGLBSA-N 0 3 345.352 0.274 20 5 ECBDHN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000247402205 165161457 /nfs/dbraw/zinc/16/14/57/165161457.db2.gz LVLFCSCZFIQJKJ-QWHCGFSZSA-N 0 3 345.359 0.683 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C[C@H]1C ZINC000262737736 165379115 /nfs/dbraw/zinc/37/91/15/165379115.db2.gz AZKJKXAMKQZBCL-MWLCHTKSSA-N 0 3 329.378 0.880 20 5 ECBDHN COCC1(O)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000270410704 263240765 /nfs/dbraw/zinc/24/07/65/263240765.db2.gz XKCDWKSWCNBXQM-AWEZNQCLSA-N 0 3 340.376 0.808 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CN1C(C)C(=O)N(C)S1(=O)=O ZINC000282948543 264071723 /nfs/dbraw/zinc/07/17/23/264071723.db2.gz HUDKQUZBGAGEAJ-MRVPVSSYSA-N 0 3 329.334 0.511 20 5 ECBDHN CNC(=O)c1ccc(N2CCO[C@@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000284556066 264226888 /nfs/dbraw/zinc/22/68/88/264226888.db2.gz MXLPESSMARFMQY-LSDHHAIUSA-N 0 3 334.376 0.864 20 5 ECBDHN NC[C@H]1CCCCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418868023 295264989 /nfs/dbraw/zinc/26/49/89/295264989.db2.gz MVRHWNSTNSXJQL-CQSZACIVSA-N 0 3 334.376 0.593 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(OCCO)CC2)c1 ZINC000339789999 297386671 /nfs/dbraw/zinc/38/66/71/297386671.db2.gz CBRQMKGMDTTWEH-CQSZACIVSA-N 0 3 340.376 0.808 20 5 ECBDHN C[C@@H]1OCC[C@@H]1N(CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361588425 300108504 /nfs/dbraw/zinc/10/85/04/300108504.db2.gz RSBFUKOIYUVQJX-BJJXKVORSA-N 0 3 340.376 0.806 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000362995488 300239877 /nfs/dbraw/zinc/23/98/77/300239877.db2.gz XYXMEUSCBNLSGP-OLZOCXBDSA-N 0 3 337.380 0.469 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363104349 300246763 /nfs/dbraw/zinc/24/67/63/300246763.db2.gz OHXYCZGZVIIHIL-ZFWWWQNUSA-N 0 3 335.360 0.953 20 5 ECBDHN NC(=O)NC(=O)OCCCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373584784 301068826 /nfs/dbraw/zinc/06/88/26/301068826.db2.gz MDFRLQDETGSMQQ-SNVBAGLBSA-N 0 3 340.340 0.623 20 5 ECBDHN Cc1noc(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000075646100 436169391 /nfs/dbraw/zinc/16/93/91/436169391.db2.gz JOXDXHUDRPBUBC-ZDUSSCGKSA-N 0 3 336.352 0.723 20 5 ECBDHN Cn1nccc1C1=CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000375689977 301198891 /nfs/dbraw/zinc/19/88/91/301198891.db2.gz SAKQGLRYVFOGIS-AWEZNQCLSA-N 0 3 332.364 0.675 20 5 ECBDHN COC[C@H](C)OC[C@@H](O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375731541 301203283 /nfs/dbraw/zinc/20/32/83/301203283.db2.gz OCBMBVMVRGSIOC-YDHLFZDLSA-N 0 3 342.396 0.841 20 5 ECBDHN COC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000090015293 436427864 /nfs/dbraw/zinc/42/78/64/436427864.db2.gz JAIOZTHNVSJKAN-LBPRGKRZSA-N 0 3 343.405 0.888 20 5 ECBDHN CC(C)(C)[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000109332115 436625094 /nfs/dbraw/zinc/62/50/94/436625094.db2.gz OONJFWIUFMAJJA-DGCLKSJQSA-N 0 3 325.365 0.824 20 5 ECBDHN CN(CCN1CCCC1=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541348256 302183329 /nfs/dbraw/zinc/18/33/29/302183329.db2.gz BMHJPSWQRHQOSU-ZDUSSCGKSA-N 0 3 337.376 0.889 20 5 ECBDHN C[C@H]1CN(CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H](C)O1 ZINC000548420334 302300910 /nfs/dbraw/zinc/30/09/10/302300910.db2.gz JGOPTEVZRBXSSP-QWRGUYRKSA-N 0 3 325.369 0.937 20 5 ECBDHN Cc1c(C(=O)N2CCCNCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237744024 436744296 /nfs/dbraw/zinc/74/42/96/436744296.db2.gz YEOPNAYXFZYPLG-UHFFFAOYSA-N 0 3 330.348 0.919 20 5 ECBDHN COCC[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000124563458 436753260 /nfs/dbraw/zinc/75/32/60/436753260.db2.gz RQALNSYDHLLHGL-LLVKDONJSA-N 0 3 331.394 0.888 20 5 ECBDHN COCCN(CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000156348283 436813955 /nfs/dbraw/zinc/81/39/55/436813955.db2.gz OJFNSJBUTHSDIK-UHFFFAOYSA-N 0 3 339.348 0.834 20 5 ECBDHN CC(C)NC(=O)NC(=O)C(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000279994809 436855591 /nfs/dbraw/zinc/85/55/91/436855591.db2.gz RMUQXQZOTFRKHS-SECBINFHSA-N 0 3 343.361 0.991 20 5 ECBDHN O=C(C[C@H]1CNCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261790455 436887995 /nfs/dbraw/zinc/88/79/95/436887995.db2.gz YWYVEMJCLMVDMR-ZDUSSCGKSA-N 0 3 334.376 0.622 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)c1C ZINC000161510644 436891516 /nfs/dbraw/zinc/89/15/16/436891516.db2.gz CVDKZLKUQNEKOO-AWEZNQCLSA-N 0 3 345.421 0.803 20 5 ECBDHN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000134353695 436896570 /nfs/dbraw/zinc/89/65/70/436896570.db2.gz LVLFCSCZFIQJKJ-OLZOCXBDSA-N 0 3 345.359 0.683 20 5 ECBDHN COCCN(C)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000263719848 436980478 /nfs/dbraw/zinc/98/04/78/436980478.db2.gz FISUVRKGHGMQCE-UHFFFAOYSA-N 0 3 327.385 0.493 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170860901 436957244 /nfs/dbraw/zinc/95/72/44/436957244.db2.gz ZYTPQHLBOKIRRC-RISCZKNCSA-N 0 3 334.376 0.876 20 5 ECBDHN COCCN(C)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000263784597 436988328 /nfs/dbraw/zinc/98/83/28/436988328.db2.gz MJSMEXFOAPGISK-UHFFFAOYSA-N 0 3 332.382 0.232 20 5 ECBDHN C[C@@H](CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N(C)C ZINC000298342329 437035917 /nfs/dbraw/zinc/03/59/17/437035917.db2.gz JHGXXPZKDPDTSI-VIFPVBQESA-N 0 3 334.332 0.257 20 5 ECBDHN CN(CCCN1CCN(C)CC1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000264671622 437061996 /nfs/dbraw/zinc/06/19/96/437061996.db2.gz UKINLUQGMUCTCE-UHFFFAOYSA-N 0 3 336.396 0.162 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000265399153 437123595 /nfs/dbraw/zinc/12/35/95/437123595.db2.gz OVTUFXBIYZCNEA-UHFFFAOYSA-N 0 3 336.348 0.752 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1N1CCCC1 ZINC000331639173 437135577 /nfs/dbraw/zinc/13/55/77/437135577.db2.gz UICNUDVSMHSOTP-WDEREUQCSA-N 0 3 325.394 0.970 20 5 ECBDHN CN1CCC[C@@H](CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000302086483 437139739 /nfs/dbraw/zinc/13/97/39/437139739.db2.gz KTSQSASEAKAQIH-JTQLQIEISA-N 0 3 328.394 0.996 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]CCC[NH+]2CCCCC2)c([N+](=O)[O-])n1 ZINC000339048311 437437387 /nfs/dbraw/zinc/43/73/87/437437387.db2.gz LSKCMEXNLGWSQB-UHFFFAOYSA-N 0 3 345.425 0.966 20 5 ECBDHN CS[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1N(C)C ZINC000330502994 437532178 /nfs/dbraw/zinc/53/21/78/437532178.db2.gz YIDAAJKAZGAFKR-NWDGAFQWSA-N 0 3 340.405 0.261 20 5 ECBDHN CC(=O)N[C@H](C)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000360298926 437578859 /nfs/dbraw/zinc/57/88/59/437578859.db2.gz HRLLVUKOVAFPDX-IAQYHMDHSA-N 0 3 339.396 0.389 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)n1 ZINC000191804042 437655442 /nfs/dbraw/zinc/65/54/42/437655442.db2.gz ISYUDTLIUJSQQS-LBPRGKRZSA-N 0 3 339.396 0.994 20 5 ECBDHN C[C@H](c1ccccc1)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000292394837 437684375 /nfs/dbraw/zinc/68/43/75/437684375.db2.gz ZYUIBAZVSONMEE-DFBGVHRSSA-N 0 3 347.375 0.399 20 5 ECBDHN Cn1cc([C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000424220541 437906345 /nfs/dbraw/zinc/90/63/45/437906345.db2.gz AAMZGRDWLKBBSB-QWHCGFSZSA-N 0 3 345.359 0.660 20 5 ECBDHN Cc1cc(CN)cc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000424451742 437940955 /nfs/dbraw/zinc/94/09/55/437940955.db2.gz HSYKUXVNETVBIW-UHFFFAOYSA-N 0 3 346.347 0.313 20 5 ECBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000342041754 437951503 /nfs/dbraw/zinc/95/15/03/437951503.db2.gz XLEYBGXARIWVBG-UHFFFAOYSA-N 0 3 348.363 0.482 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@@H]1Cn1ccnn1 ZINC000371626590 437968795 /nfs/dbraw/zinc/96/87/95/437968795.db2.gz HIEHBTHQPVIBSG-CYBMUJFWSA-N 0 3 332.364 0.903 20 5 ECBDHN CS[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000342543604 438028523 /nfs/dbraw/zinc/02/85/23/438028523.db2.gz KFRCZRPKRIZKJQ-FRRDWIJNSA-N 0 3 329.426 0.130 20 5 ECBDHN Cc1[nH]nc(C(=O)Nc2ccn(C3CCN(C)CC3)n2)c1[N+](=O)[O-] ZINC000428339965 438090020 /nfs/dbraw/zinc/09/00/20/438090020.db2.gz MUOAVYYGORMLJX-UHFFFAOYSA-N 0 3 333.352 1.342 20 5 ECBDHN O=C1CNC(=O)N1CCCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372328724 438069693 /nfs/dbraw/zinc/06/96/93/438069693.db2.gz CGGFITSHLHDSPT-LLVKDONJSA-N 0 3 336.352 0.370 20 5 ECBDHN C[C@H](CN)NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418821943 438200371 /nfs/dbraw/zinc/20/03/71/438200371.db2.gz XVAPEXZIGFHSGK-MRVPVSSYSA-N 0 3 328.756 0.370 20 5 ECBDHN COC(=O)[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000378006358 438338345 /nfs/dbraw/zinc/33/83/45/438338345.db2.gz VCRGHOQIBUBDCQ-VXGBXAGGSA-N 0 3 326.353 0.283 20 5 ECBDHN CN(C)S(=O)(=O)CCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353870104 438545568 /nfs/dbraw/zinc/54/55/68/438545568.db2.gz VRGHNCFGGJAXLB-RYUDHWBXSA-N 0 3 345.425 0.756 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(CCO)Cc2cccc(F)c2)c1 ZINC000494254634 438682341 /nfs/dbraw/zinc/68/23/41/438682341.db2.gz SWCFEJAIUNJJGN-HNNXBMFYSA-N 0 3 338.339 0.786 20 5 ECBDHN COc1ccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000556899978 438792490 /nfs/dbraw/zinc/79/24/90/438792490.db2.gz COHNWQXGWSULPJ-JTQLQIEISA-N 0 3 338.364 0.400 20 5 ECBDHN COc1cc(C(=O)N[C@H](CO)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000588864448 438845516 /nfs/dbraw/zinc/84/55/16/438845516.db2.gz JGENKXOHXYRNNB-VIFPVBQESA-N 0 3 327.337 0.264 20 5 ECBDHN O=C1CC[C@@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595728768 438851575 /nfs/dbraw/zinc/85/15/75/438851575.db2.gz OQKLYAAOEDLVAY-MGPQQGTHSA-N 0 3 349.387 0.935 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590281506 438908514 /nfs/dbraw/zinc/90/85/14/438908514.db2.gz OBLOSYUXCYARMA-MFKMUULPSA-N 0 3 348.359 0.704 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(O)CCOCC2)cc1 ZINC000516277418 438901537 /nfs/dbraw/zinc/90/15/37/438901537.db2.gz FAGGCZVVJNEQJR-UHFFFAOYSA-N 0 3 344.389 0.500 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(CO)(CO)C2)c1 ZINC000595801387 438866031 /nfs/dbraw/zinc/86/60/31/438866031.db2.gz WLUMGADHKOFJHT-CYBMUJFWSA-N 0 3 326.349 0.011 20 5 ECBDHN CC(C)NC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595849366 438871124 /nfs/dbraw/zinc/87/11/24/438871124.db2.gz INILGGCQTNDEBF-ZDUSSCGKSA-N 0 3 336.392 0.993 20 5 ECBDHN N[C@@H]1C[C@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CCN2C1=O ZINC000565232223 438930780 /nfs/dbraw/zinc/93/07/80/438930780.db2.gz ADXWJKPEBQOZPS-NWDGAFQWSA-N 0 3 331.376 0.617 20 5 ECBDHN Cc1cc(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000590591660 438938010 /nfs/dbraw/zinc/93/80/10/438938010.db2.gz WFKQCUGAHFZFRV-CYBMUJFWSA-N 0 3 349.384 0.633 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)c1nc2sccn2c1[N+](=O)[O-] ZINC000596463123 438966106 /nfs/dbraw/zinc/96/61/06/438966106.db2.gz QSUAZFOBRHQANL-UHFFFAOYSA-N 0 3 340.409 0.760 20 5 ECBDHN O=C1C[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000565887411 438986664 /nfs/dbraw/zinc/98/66/64/438986664.db2.gz OMFXJQHBHAVHRE-YPMHNXCESA-N 0 3 335.360 0.687 20 5 ECBDHN CCNC(=O)c1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000580064045 439058870 /nfs/dbraw/zinc/05/88/70/439058870.db2.gz IEAQHMNKOQOABX-HNNXBMFYSA-N 0 3 347.375 0.692 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCc3nnnn3CC1)OCCO2 ZINC000591504130 439018487 /nfs/dbraw/zinc/01/84/87/439018487.db2.gz OZIMGYYKKBHBEX-NSHDSACASA-N 0 3 346.347 0.847 20 5 ECBDHN CN(C)[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000579793451 439037467 /nfs/dbraw/zinc/03/74/67/439037467.db2.gz KPMJEFJXSPURTO-ILXRZTDVSA-N 0 3 334.376 0.307 20 5 ECBDHN N[C@H]1C[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CCN2C1=O ZINC000581022681 439161076 /nfs/dbraw/zinc/16/10/76/439161076.db2.gz DRGRRVZGVGIBLK-ZJUUUORDSA-N 0 3 328.332 0.286 20 5 ECBDHN C[C@H]1C[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000592363289 439212747 /nfs/dbraw/zinc/21/27/47/439212747.db2.gz VSIJCAGNRHJEGB-WDEREUQCSA-N 0 3 329.378 0.640 20 5 ECBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000598261127 439245289 /nfs/dbraw/zinc/24/52/89/439245289.db2.gz FBQDGXNJNZBETR-ZDUSSCGKSA-N 0 3 336.392 0.993 20 5 ECBDHN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000569383457 439327669 /nfs/dbraw/zinc/32/76/69/439327669.db2.gz XOQWYYDGWNGTEP-VIFPVBQESA-N 0 3 326.328 0.530 20 5 ECBDHN CN1CCN(C[C@@H](O)CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000569475887 439336678 /nfs/dbraw/zinc/33/66/78/439336678.db2.gz NUAUMWDLCURQTD-ZDUSSCGKSA-N 0 3 348.407 0.169 20 5 ECBDHN CNc1c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000592871424 439295062 /nfs/dbraw/zinc/29/50/62/439295062.db2.gz HYLWHOUMNFPMII-NSHDSACASA-N 0 3 349.391 0.829 20 5 ECBDHN COC(=O)c1cnc(N2CC(CN3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000599107142 439360171 /nfs/dbraw/zinc/36/01/71/439360171.db2.gz JLKMATDDPFJUDJ-UHFFFAOYSA-N 0 3 349.391 0.460 20 5 ECBDHN CNC(=O)c1ccc(N2CC(CN3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000599108325 439360775 /nfs/dbraw/zinc/36/07/75/439360775.db2.gz MOCWEQLCEKCEST-UHFFFAOYSA-N 0 3 347.419 0.638 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCCOc2ncccc2F)c1 ZINC000582660492 439362917 /nfs/dbraw/zinc/36/29/17/439362917.db2.gz DSKXRPCRRQHULU-LLVKDONJSA-N 0 3 325.300 0.355 20 5 ECBDHN COC(=O)[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C1CC1 ZINC000593131612 439347869 /nfs/dbraw/zinc/34/78/69/439347869.db2.gz VJDJPVLVJHZSKS-UONOGXRCSA-N 0 3 335.360 0.888 20 5 ECBDHN Cc1ccc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593232035 439355714 /nfs/dbraw/zinc/35/57/14/439355714.db2.gz DNYSXOARJPXCIQ-UHFFFAOYSA-N 0 3 334.376 0.749 20 5 ECBDHN C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000582735955 439373470 /nfs/dbraw/zinc/37/34/70/439373470.db2.gz PIJFAOKHLFEVPP-NWDGAFQWSA-N 0 3 336.392 0.881 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583212940 439433723 /nfs/dbraw/zinc/43/37/23/439433723.db2.gz XSKROHPHEZKSRR-GJZGRUSLSA-N 0 3 336.392 0.839 20 5 ECBDHN CN(CCN1CCCC1=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609578226 439577786 /nfs/dbraw/zinc/57/77/86/439577786.db2.gz MBFMDPKGEXPQIK-CQSZACIVSA-N 0 3 337.376 0.889 20 5 ECBDHN O=C(NCc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1)C1CC[NH2+]CC1 ZINC000594651337 439586535 /nfs/dbraw/zinc/58/65/35/439586535.db2.gz BXIYPUQAQZEKFQ-UHFFFAOYSA-N 0 3 346.347 0.497 20 5 ECBDHN Cc1c(Br)c(=O)n(C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000594696984 439592573 /nfs/dbraw/zinc/59/25/73/439592573.db2.gz USBYCNPSVBRLKE-MRVPVSSYSA-N 0 3 332.154 0.816 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2c[nH+]ccc2N2CCN(C)CC2)n1 ZINC000611538490 439705293 /nfs/dbraw/zinc/70/52/93/439705293.db2.gz QSZMCQAFQVGLKL-UHFFFAOYSA-N 0 3 345.363 0.727 20 5 ECBDHN O=[N+]([O-])c1ccc(CCO)c(-c2cnc(N3CCNCC3)nc2)c1 ZINC000600851437 439710930 /nfs/dbraw/zinc/71/09/30/439710930.db2.gz YVPJDMDDTXOVMF-UHFFFAOYSA-N 0 3 329.360 0.996 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000574033033 439679584 /nfs/dbraw/zinc/67/95/84/439679584.db2.gz DFHZKMPPRYODDY-YPMHNXCESA-N 0 3 344.389 0.501 20 5 ECBDHN CN1CCC2(CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)C1=O ZINC000618547458 440131331 /nfs/dbraw/zinc/13/13/31/440131331.db2.gz MNFWZAZCBPWZRV-UHFFFAOYSA-N 0 3 334.376 0.701 20 5 ECBDHN CN(C)[C@]1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCSC1 ZINC000290731143 320688343 /nfs/dbraw/zinc/68/83/43/320688343.db2.gz FXOJERRUUMSTNE-ZDUSSCGKSA-N 0 3 325.394 0.938 20 5 ECBDHN O=C(NCCNc1ccncc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000347864016 321256041 /nfs/dbraw/zinc/25/60/41/321256041.db2.gz XSRBFNOHFYKLJC-UHFFFAOYSA-N 0 3 329.316 0.579 20 5 ECBDHN C[C@@H](CN1CCCC1=O)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000555338748 322179410 /nfs/dbraw/zinc/17/94/10/322179410.db2.gz MUBWIAFVVFGICU-GXTWGEPZSA-N 0 3 337.376 0.935 20 5 ECBDHN O=C(CNC(=O)c1c[nH]nc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000560315674 322232926 /nfs/dbraw/zinc/23/29/26/322232926.db2.gz DXNIEBCQNUBEIR-UHFFFAOYSA-N 0 3 338.368 0.040 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000560564774 322246970 /nfs/dbraw/zinc/24/69/70/322246970.db2.gz WAGFFHDOJVYYIZ-JTQLQIEISA-N 0 3 338.364 0.400 20 5 ECBDHN C[C@H](CS(C)(=O)=O)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000562993940 322291719 /nfs/dbraw/zinc/29/17/19/322291719.db2.gz RWLJHGACKKOSNS-SNVBAGLBSA-N 0 3 329.378 0.946 20 5 ECBDHN COC(=O)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000563710411 322340399 /nfs/dbraw/zinc/34/03/99/322340399.db2.gz ZZRRJXXYWMDQHG-SNVBAGLBSA-N 0 3 340.361 0.790 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H]2CCCS2(=O)=O)c1 ZINC000566556672 322542278 /nfs/dbraw/zinc/54/22/78/322542278.db2.gz KNKNWSZEFQZGBY-JSGCOSHPSA-N 0 3 344.389 0.501 20 5 ECBDHN O=C1[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccccc1 ZINC000577216515 322828856 /nfs/dbraw/zinc/82/88/56/322828856.db2.gz NVOHNLWWLZOAFN-GJZGRUSLSA-N 0 3 345.359 0.547 20 5 ECBDHN CCCNC(=O)CN(CCC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266555556 535065868 /nfs/dbraw/zinc/06/58/68/535065868.db2.gz VWBXBAJDHBOPKX-ZDUSSCGKSA-N 0 3 327.385 0.390 20 5 ECBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)CCN(C)C ZINC000754353512 579416743 /nfs/dbraw/zinc/41/67/43/579416743.db2.gz ILMWFBSIOKAGTG-UHFFFAOYSA-N 0 3 339.348 0.815 20 5 ECBDHN COCCN1CC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000730790491 578309011 /nfs/dbraw/zinc/30/90/11/578309011.db2.gz XPXPERASBSYFSQ-CYBMUJFWSA-N 0 3 347.375 0.781 20 5 ECBDHN C[C@@H](NCC1(O)CCS(=O)(=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788827196 578844009 /nfs/dbraw/zinc/84/40/09/578844009.db2.gz JWNFXKLHTDNGCM-SNVBAGLBSA-N 0 3 343.405 0.767 20 5 ECBDHN O=C(CN[C@@H](CO)C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771812778 579195737 /nfs/dbraw/zinc/19/57/37/579195737.db2.gz JQSULUYQUFVHTA-INIZCTEOSA-N 0 3 348.403 0.604 20 5 ECBDHN C[C@@H](OC(=O)C1CCN(C)C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000772530705 579209682 /nfs/dbraw/zinc/20/96/82/579209682.db2.gz ZARNFPXWBIHFJN-SKDRFNHKSA-N 0 3 335.316 0.943 20 5 ECBDHN CN(C)CCOCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778423622 579308957 /nfs/dbraw/zinc/30/89/57/579308957.db2.gz UECLRWYOQOVEOF-UHFFFAOYSA-N 0 3 339.377 0.908 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000762714743 579546571 /nfs/dbraw/zinc/54/65/71/579546571.db2.gz CWBMDXUNSWRRJL-GDBMZVCRSA-N 0 3 348.359 0.271 20 5 ECBDHN COc1ccccc1[C@@H](O)CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743260345 579796096 /nfs/dbraw/zinc/79/60/96/579796096.db2.gz BJJATHXTVXYHPU-JSGCOSHPSA-N 0 3 336.348 0.484 20 5 ECBDHN O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CC[N+](=O)[O-] ZINC000899876108 586510769 /nfs/dbraw/zinc/51/07/69/586510769.db2.gz MMIZZAHULQDOJX-MRXNPFEDSA-N 0 3 332.360 0.850 20 5 ECBDHN O=C(N[C@H](CO)CN1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000808222423 587150220 /nfs/dbraw/zinc/15/02/20/587150220.db2.gz WOXKLZCBLFNFNQ-JTQLQIEISA-N 0 3 333.348 0.658 20 5 ECBDHN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105740 587248388 /nfs/dbraw/zinc/24/83/88/587248388.db2.gz TYLJUTZHWANOCS-UWVGGRQHSA-N 0 3 346.361 0.570 20 5 ECBDHN CN1CCC2(CC1)CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000844093239 589093393 /nfs/dbraw/zinc/09/33/93/589093393.db2.gz BIFPNRIPYSBFJC-HNNXBMFYSA-N 0 3 349.387 0.951 20 5 ECBDHN COC(=O)[C@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000840361218 587431213 /nfs/dbraw/zinc/43/12/13/587431213.db2.gz UXDLGAKOHFZPPD-VIFPVBQESA-N 0 3 335.320 0.672 20 5 ECBDHN CC[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000819141078 587470014 /nfs/dbraw/zinc/47/00/14/587470014.db2.gz UXBJNMGFRLITKL-CABCVRRESA-N 0 3 337.376 0.855 20 5 ECBDHN COCc1nc2n(n1)C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000819154185 587470708 /nfs/dbraw/zinc/47/07/08/587470708.db2.gz OUSZDZVMATXTHC-JSGCOSHPSA-N 0 3 347.375 0.971 20 5 ECBDHN CN(C)CCNC(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC000822148391 587645675 /nfs/dbraw/zinc/64/56/75/587645675.db2.gz JSLAKDARCQIACJ-UHFFFAOYSA-N 0 3 342.302 0.711 20 5 ECBDHN COc1cc(OCc2nc(N3CCNCC3)no2)ccc1[N+](=O)[O-] ZINC000823314491 587715593 /nfs/dbraw/zinc/71/55/93/587715593.db2.gz DSCDMFGWSWYJEF-UHFFFAOYSA-N 0 3 335.320 0.975 20 5 ECBDHN NC[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000848438967 589293956 /nfs/dbraw/zinc/29/39/56/589293956.db2.gz NTIALNDLXDYSED-JTQLQIEISA-N 0 3 331.254 0.950 20 5 ECBDHN Cc1noc(CONC(=N)[C@H]2CN(C(C)C)CCO2)c1[N+](=O)[O-] ZINC000853685735 589555019 /nfs/dbraw/zinc/55/50/19/589555019.db2.gz OQWNBXXYBZBXBU-SNVBAGLBSA-N 0 3 327.341 0.999 20 5 ECBDHN Cc1c(C(=O)N[C@@H](CO)CN(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000854466366 589587740 /nfs/dbraw/zinc/58/77/40/589587740.db2.gz BOXCVSVTSOZIAL-SECBINFHSA-N 0 3 326.309 0.464 20 5 ECBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856097572 589654351 /nfs/dbraw/zinc/65/43/51/589654351.db2.gz CNIDVXGZCCXDPZ-CVEARBPZSA-N 0 3 349.387 0.998 20 5 ECBDHN O=C(N1CCOC2(CNC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765769 589704284 /nfs/dbraw/zinc/70/42/84/589704284.db2.gz DCOIHZZERDIZNW-UHFFFAOYSA-N 0 3 343.286 0.767 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880071931 590365809 /nfs/dbraw/zinc/36/58/09/590365809.db2.gz LTHGVDYDCMDHCI-LSDHHAIUSA-N 0 3 348.403 0.983 20 5 ECBDHN CN1CCC(N(CCO)C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000911934179 609923494 /nfs/dbraw/zinc/92/34/94/609923494.db2.gz XXLSCLWZPHUYGB-UHFFFAOYSA-N 0 3 337.376 0.889 20 5 ECBDHN Cc1cncn1CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956370036 612859736 /nfs/dbraw/zinc/85/97/36/612859736.db2.gz DIUHNKNGMBZGLQ-CHWSQXEVSA-N 0 3 349.391 0.354 20 5 ECBDHN CCN(CC)CC(=O)NCCN(CC)c1ncc([N+](=O)[O-])c(N)n1 ZINC001100543165 735105114 /nfs/dbraw/zinc/10/51/14/735105114.db2.gz SZCQYXMNBRWUBD-UHFFFAOYSA-N 0 3 339.400 0.251 20 5 ECBDHN CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(-n2cccc2CN)n1 ZINC001167582232 735819317 /nfs/dbraw/zinc/81/93/17/735819317.db2.gz VJNHXVMCXJBFNP-UHFFFAOYSA-N 0 3 331.741 0.691 20 5 ECBDHN Cc1nc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])sc1C ZINC001025775239 739943664 /nfs/dbraw/zinc/94/36/64/739943664.db2.gz HHGWDUUDDBFWEA-DIACKHNESA-N 0 3 336.417 0.972 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)Cc2cnoc2)CC1 ZINC000996898521 743007558 /nfs/dbraw/zinc/00/75/58/743007558.db2.gz KUUANLZHEOORRB-UHFFFAOYSA-N 0 3 348.363 0.640 20 5 ECBDHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC001059271998 745563125 /nfs/dbraw/zinc/56/31/25/745563125.db2.gz LQGPDCGZULNOOQ-KYZUINATSA-N 0 3 346.351 0.300 20 5 ECBDHN CN(CCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001105405309 747027789 /nfs/dbraw/zinc/02/77/89/747027789.db2.gz WVTNOYLMKCRMJB-UHFFFAOYSA-N 0 3 337.380 0.686 20 5 ECBDHN Cc1cnoc1C(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC000984983201 747220865 /nfs/dbraw/zinc/22/08/65/747220865.db2.gz LKUNRCBKDPKXRN-XYPYZODXSA-N 0 3 348.363 0.923 20 5 ECBDHN O=C(CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCCC1 ZINC001002782178 747777794 /nfs/dbraw/zinc/77/77/94/747777794.db2.gz KHKLIBLGOYIAGY-ZIAGYGMSSA-N 0 3 338.408 0.245 20 5 ECBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@H]2CCSC2)c1 ZINC000178004695 232055696 /nfs/dbraw/zinc/05/56/96/232055696.db2.gz MOJRNZFZRPKTNY-JTQLQIEISA-N 0 3 331.419 0.968 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@H]2CCCOC2)cc1 ZINC000178001008 232055725 /nfs/dbraw/zinc/05/57/25/232055725.db2.gz GGHZEICWLUTWJU-NSHDSACASA-N 0 3 329.378 0.642 20 5 ECBDHN COc1ccc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000192920441 239941360 /nfs/dbraw/zinc/94/13/60/239941360.db2.gz SRCOJNDUGRSGOL-PHIMTYICSA-N 0 3 341.389 0.786 20 5 ECBDHN CN(CCN)C(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000419771482 209201491 /nfs/dbraw/zinc/20/14/91/209201491.db2.gz HVUDPBMVHSWWNT-UHFFFAOYSA-N 0 3 348.281 0.647 20 5 ECBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H](O)CN1CCOCC1 ZINC000083245772 217540024 /nfs/dbraw/zinc/54/00/24/217540024.db2.gz IYLMRXVACJSMBC-OAHLLOKOSA-N 0 3 339.392 0.599 20 5 ECBDHN CCN1CC[C@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000414006564 208385832 /nfs/dbraw/zinc/38/58/32/208385832.db2.gz QIORJXTUOVZSOH-YPMHNXCESA-N 0 3 334.376 0.924 20 5 ECBDHN CC(COC(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1)[N+](=O)[O-] ZINC000496343169 255092439 /nfs/dbraw/zinc/09/24/39/255092439.db2.gz LLVZGBVGDJNSOS-VIFPVBQESA-N 0 3 343.340 0.625 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(C)CC1 ZINC000078473141 296622217 /nfs/dbraw/zinc/62/22/17/296622217.db2.gz LGXYIGIJIHLZED-LLVKDONJSA-N 0 3 334.376 0.924 20 5 ECBDHN CC(C)(N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000236778580 165094504 /nfs/dbraw/zinc/09/45/04/165094504.db2.gz LDZHYOWRCRCGTE-UHFFFAOYSA-N 0 3 326.378 0.678 20 5 ECBDHN NC(=O)C[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248446848 165175551 /nfs/dbraw/zinc/17/55/51/165175551.db2.gz HBRAQHCPSXDJSP-QWHCGFSZSA-N 0 3 337.376 0.922 20 5 ECBDHN CNC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248461958 165179031 /nfs/dbraw/zinc/17/90/31/165179031.db2.gz PLYWAYMVIWOINA-QWHCGFSZSA-N 0 3 337.376 0.793 20 5 ECBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CNCCO2)c1C ZINC000262361062 165337136 /nfs/dbraw/zinc/33/71/36/165337136.db2.gz WLXULUVYQAYHDM-GFCCVEGCSA-N 0 3 329.378 0.478 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]1)OCCO2 ZINC000262736079 165379577 /nfs/dbraw/zinc/37/95/77/165379577.db2.gz GUPDPZJYKUYVJZ-VIFPVBQESA-N 0 3 343.361 0.396 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000262809488 165389711 /nfs/dbraw/zinc/38/97/11/165389711.db2.gz XTWYBKATUNOLSC-KOLCDFICSA-N 0 3 329.378 0.880 20 5 ECBDHN C[C@@H]1NCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000262811536 165391448 /nfs/dbraw/zinc/39/14/48/165391448.db2.gz REYPJGMASCRIPA-QWRGUYRKSA-N 0 3 348.359 0.529 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H](O)CN1CCCCC1 ZINC000160224972 225365709 /nfs/dbraw/zinc/36/57/09/225365709.db2.gz TURGBJUHHZFFNT-CYBMUJFWSA-N 0 3 337.376 0.937 20 5 ECBDHN CCc1n[nH]c(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000271003708 263292363 /nfs/dbraw/zinc/29/23/63/263292363.db2.gz GEOLYEXZOMUXBY-ZJUUUORDSA-N 0 3 327.410 0.998 20 5 ECBDHN CCc1[nH]nc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000271003708 263292365 /nfs/dbraw/zinc/29/23/65/263292365.db2.gz GEOLYEXZOMUXBY-ZJUUUORDSA-N 0 3 327.410 0.998 20 5 ECBDHN N[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000282227272 264027694 /nfs/dbraw/zinc/02/76/94/264027694.db2.gz BLBIUUDINQOYOA-MRXNPFEDSA-N 0 3 348.403 0.997 20 5 ECBDHN CC(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000048305525 436448999 /nfs/dbraw/zinc/44/89/99/436448999.db2.gz PURNJBWBWRBSQJ-NSHDSACASA-N 0 3 341.389 0.677 20 5 ECBDHN CC(C)(C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000519558499 301746147 /nfs/dbraw/zinc/74/61/47/301746147.db2.gz VFIFTLWAFQZCQU-ZIAGYGMSSA-N 0 3 346.387 0.643 20 5 ECBDHN CCN1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112918369 436634732 /nfs/dbraw/zinc/63/47/32/436634732.db2.gz VRTRBPZXSOCWIQ-UHFFFAOYSA-N 0 3 336.392 0.727 20 5 ECBDHN CN(C)CCN1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000114166452 436640000 /nfs/dbraw/zinc/64/00/00/436640000.db2.gz PXARVODPKDOSCR-CYBMUJFWSA-N 0 3 346.387 0.894 20 5 ECBDHN CC1CCC(N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)CC1 ZINC000115255733 436646575 /nfs/dbraw/zinc/64/65/75/436646575.db2.gz TWNOXKRBPQGURD-UHFFFAOYSA-N 0 3 336.396 0.909 20 5 ECBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114645127 436642582 /nfs/dbraw/zinc/64/25/82/436642582.db2.gz HOTMBWSYVFAMME-AWEZNQCLSA-N 0 3 344.375 0.967 20 5 ECBDHN CN1CCO[C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000120987899 436705436 /nfs/dbraw/zinc/70/54/36/436705436.db2.gz CBFJAXFTPZKSCX-LSDHHAIUSA-N 0 3 334.376 0.938 20 5 ECBDHN CC(C)(C)OC(=O)[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247220029 436789609 /nfs/dbraw/zinc/78/96/09/436789609.db2.gz YKWNAETVHSSBEJ-DGCLKSJQSA-N 0 3 340.380 0.816 20 5 ECBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2c1cnn2C ZINC000135560073 436917875 /nfs/dbraw/zinc/91/78/75/436917875.db2.gz NTLHIWBYVTUBJW-GXTWGEPZSA-N 0 3 334.380 0.895 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000170842015 436954767 /nfs/dbraw/zinc/95/47/67/436954767.db2.gz NDLSOQMAMDCICR-UHFFFAOYSA-N 0 3 349.435 0.980 20 5 ECBDHN COCCN1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000264467077 437033424 /nfs/dbraw/zinc/03/34/24/437033424.db2.gz FRVXGMNPLNPXKY-LBPRGKRZSA-N 0 3 325.369 0.327 20 5 ECBDHN Cc1n[n-]c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000275555419 436983615 /nfs/dbraw/zinc/98/36/15/436983615.db2.gz IEVWSYLAPUGBNX-VIFPVBQESA-N 0 3 325.369 0.544 20 5 ECBDHN Cc1n[n-]c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000275555419 436983620 /nfs/dbraw/zinc/98/36/20/436983620.db2.gz IEVWSYLAPUGBNX-VIFPVBQESA-N 0 3 325.369 0.544 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(CCCO)C1 ZINC000296350372 436990214 /nfs/dbraw/zinc/99/02/14/436990214.db2.gz DVAZFLCLHFAMJN-ZDUSSCGKSA-N 0 3 336.392 0.970 20 5 ECBDHN CNS(=O)(=O)c1ccc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000264030175 437015028 /nfs/dbraw/zinc/01/50/28/437015028.db2.gz RUEWFQOUGJBIFX-SNVBAGLBSA-N 0 3 328.394 0.643 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)O1 ZINC000287725854 437227247 /nfs/dbraw/zinc/22/72/47/437227247.db2.gz YFNFXNHCNODKKL-GHMZBOCLSA-N 0 3 325.369 0.937 20 5 ECBDHN COC(=O)CC[C@@H](N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000288563091 437333444 /nfs/dbraw/zinc/33/34/44/437333444.db2.gz GVSRFOWPEMCEOK-SNVBAGLBSA-N 0 3 325.321 0.500 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)C[C@H](C)O1 ZINC000360734839 437639236 /nfs/dbraw/zinc/63/92/36/437639236.db2.gz FKAGKFLZGRBTHW-TXEJJXNPSA-N 0 3 339.396 0.948 20 5 ECBDHN C[C@H]1COCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192567823 437682102 /nfs/dbraw/zinc/68/21/02/437682102.db2.gz SDNMSYNZPRGTHV-NWDGAFQWSA-N 0 3 343.405 0.888 20 5 ECBDHN CN1C[C@@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000192915563 437697282 /nfs/dbraw/zinc/69/72/82/437697282.db2.gz ZLZMWMWDZWWUMX-OKILXGFUSA-N 0 3 339.417 0.961 20 5 ECBDHN CCN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356144109 437751716 /nfs/dbraw/zinc/75/17/16/437751716.db2.gz DFDOUUWBLJEAPT-UHFFFAOYSA-N 0 3 338.412 0.476 20 5 ECBDHN C[C@@H](CO)N1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000364925445 437826793 /nfs/dbraw/zinc/82/67/93/437826793.db2.gz ZHYHETCGHDHLII-LBPRGKRZSA-N 0 3 325.369 0.097 20 5 ECBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CCN(C)CC1 ZINC000371341309 437923452 /nfs/dbraw/zinc/92/34/52/437923452.db2.gz NCORBFBJNXMXCC-GOEBONIOSA-N 0 3 336.440 0.749 20 5 ECBDHN Cn1cc([C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000424220920 437905802 /nfs/dbraw/zinc/90/58/02/437905802.db2.gz APFUOVLOLCGSJP-QWHCGFSZSA-N 0 3 344.375 0.694 20 5 ECBDHN CC1CCN(C[C@H](O)CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357236772 437939576 /nfs/dbraw/zinc/93/95/76/437939576.db2.gz UNUWRAFLELHLIJ-LLVKDONJSA-N 0 3 337.380 0.593 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000358044484 438129658 /nfs/dbraw/zinc/12/96/58/438129658.db2.gz IRBCDWFDYRFDMN-HNNXBMFYSA-N 0 3 337.332 0.162 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000358060836 438138102 /nfs/dbraw/zinc/13/81/02/438138102.db2.gz GEHBPCVOGKQCHO-MRXNPFEDSA-N 0 3 345.359 0.577 20 5 ECBDHN CN1CCC(n2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)n2)CC1 ZINC000373228958 438136143 /nfs/dbraw/zinc/13/61/43/438136143.db2.gz JNABTNOULARDJE-UHFFFAOYSA-N 0 3 333.352 0.893 20 5 ECBDHN COC[C@H](C)OC[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373242233 438139638 /nfs/dbraw/zinc/13/96/38/438139638.db2.gz LMYOSTGYCZHBCG-JSGCOSHPSA-N 0 3 342.396 0.841 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000358067629 438140119 /nfs/dbraw/zinc/14/01/19/438140119.db2.gz QDSYDSGFEFYYDE-MRXNPFEDSA-N 0 3 332.360 0.732 20 5 ECBDHN O=C(NC[C@@H]1CNCCO1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418777566 438186350 /nfs/dbraw/zinc/18/63/50/438186350.db2.gz YQLOFRDBPUZDHM-ZDUSSCGKSA-N 0 3 336.348 0.487 20 5 ECBDHN O=C1C[C@H]([C@@H]2CCCCN2CCn2cc([N+](=O)[O-])ccc2=O)CN1 ZINC000367018850 438155438 /nfs/dbraw/zinc/15/54/38/438155438.db2.gz DAQIDYBYCOLVQT-JSGCOSHPSA-N 0 3 334.376 0.747 20 5 ECBDHN CSC1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCN(C)CC1 ZINC000358129425 438161821 /nfs/dbraw/zinc/16/18/21/438161821.db2.gz JYQPFDKGQUVCIP-UHFFFAOYSA-N 0 3 327.410 0.735 20 5 ECBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000374829935 438232768 /nfs/dbraw/zinc/23/27/68/438232768.db2.gz PVELPOWZSUUFBO-ZJUUUORDSA-N 0 3 338.339 0.909 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCCNCC1 ZINC000418931720 438253935 /nfs/dbraw/zinc/25/39/35/438253935.db2.gz HGCBOHVPEKIPFH-UHFFFAOYSA-N 0 3 336.348 0.042 20 5 ECBDHN COc1ccc(CNC(=O)C(=O)N2CCC[C@H]2CN)cc1[N+](=O)[O-] ZINC000418934159 438254297 /nfs/dbraw/zinc/25/42/97/438254297.db2.gz IVIKFYGKHMKBQH-NSHDSACASA-N 0 3 336.348 0.169 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1C[NH2+]CCN1C ZINC000394095320 438444069 /nfs/dbraw/zinc/44/40/69/438444069.db2.gz MWGXJFYDIRZLFC-NSHDSACASA-N 0 3 328.394 0.085 20 5 ECBDHN CNC(=O)CCOC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000494951504 438714187 /nfs/dbraw/zinc/71/41/87/438714187.db2.gz HHURGRMJLNVCOY-UHFFFAOYSA-N 0 3 325.369 0.408 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(OCCO)cc2)c1 ZINC000576040396 438765556 /nfs/dbraw/zinc/76/55/56/438765556.db2.gz DEGRWRIJHOKUNH-AWEZNQCLSA-N 0 3 336.348 0.313 20 5 ECBDHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595668625 438843316 /nfs/dbraw/zinc/84/33/16/438843316.db2.gz USVSFDJSVVRSPN-FPMFFAJLSA-N 0 3 340.332 0.255 20 5 ECBDHN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)NCCN(C)C ZINC000588874007 438847157 /nfs/dbraw/zinc/84/71/57/438847157.db2.gz YLVNJSRBKAIEIB-JTQLQIEISA-N 0 3 347.375 0.872 20 5 ECBDHN CSC[C@@H](O)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000578232418 438907572 /nfs/dbraw/zinc/90/75/72/438907572.db2.gz SAMKJMCVGAVBRE-NSHDSACASA-N 0 3 349.434 0.187 20 5 ECBDHN CNc1nccc(C(=O)NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000564224815 438873155 /nfs/dbraw/zinc/87/31/55/438873155.db2.gz QFDZRLPQMYYZSA-NSHDSACASA-N 0 3 337.380 0.608 20 5 ECBDHN CN1C[C@@H]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590447546 438925836 /nfs/dbraw/zinc/92/58/36/438925836.db2.gz YUZOVHOGOBOMBH-DZGCQCFKSA-N 0 3 346.387 0.877 20 5 ECBDHN CN(CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596122103 438928458 /nfs/dbraw/zinc/92/84/58/438928458.db2.gz RPMGPUQILPRBGA-UHFFFAOYSA-N 0 3 335.408 0.767 20 5 ECBDHN CN(C)[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000590600325 438938548 /nfs/dbraw/zinc/93/85/48/438938548.db2.gz ULFZFSKRKAKIAZ-STQMWFEESA-N 0 3 333.348 0.752 20 5 ECBDHN O=C(CCNCC(=O)N1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000565475508 438955064 /nfs/dbraw/zinc/95/50/64/438955064.db2.gz AYAHGSZRNPRCMY-UHFFFAOYSA-N 0 3 336.348 0.372 20 5 ECBDHN CN(C)CCn1cc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])ccc1=O ZINC000566446089 439054955 /nfs/dbraw/zinc/05/49/55/439054955.db2.gz FEVCOSBADWGNRJ-UHFFFAOYSA-N 0 3 346.347 0.548 20 5 ECBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C2)C1 ZINC000566722313 439082341 /nfs/dbraw/zinc/08/23/41/439082341.db2.gz RXCUQMSHSZLYGB-ZDUSSCGKSA-N 0 3 326.378 0.706 20 5 ECBDHN C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597943303 439202815 /nfs/dbraw/zinc/20/28/15/439202815.db2.gz XJFLBSGZTWORFB-NSHDSACASA-N 0 3 339.396 0.697 20 5 ECBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCN(C)C ZINC000488990141 439211335 /nfs/dbraw/zinc/21/13/35/439211335.db2.gz ZHZWWVAXGUFBPG-NSHDSACASA-N 0 3 326.401 0.847 20 5 ECBDHN CN1C[C@H]2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000598901625 439324274 /nfs/dbraw/zinc/32/42/74/439324274.db2.gz AWILILAIWNMGCT-BXUZGUMPSA-N 0 3 347.375 0.879 20 5 ECBDHN COc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1OC ZINC000569430531 439330052 /nfs/dbraw/zinc/33/00/52/439330052.db2.gz FXZFPPCFNBPMKB-CYBMUJFWSA-N 0 3 336.348 0.959 20 5 ECBDHN CN1CC=C(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598614203 439288773 /nfs/dbraw/zinc/28/87/73/439288773.db2.gz PLXJLTMEDSRXSA-UHFFFAOYSA-N 0 3 334.380 0.895 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000592875082 439294188 /nfs/dbraw/zinc/29/41/88/439294188.db2.gz WDRFYRWAVWZAJK-JTQLQIEISA-N 0 3 335.364 0.369 20 5 ECBDHN COc1ccc(OC)c(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000582480315 439338274 /nfs/dbraw/zinc/33/82/74/439338274.db2.gz YTXCPCGZPKGBEC-ZDUSSCGKSA-N 0 3 336.348 0.959 20 5 ECBDHN Cc1nn(C)c(C(=O)N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000604382713 439311705 /nfs/dbraw/zinc/31/17/05/439311705.db2.gz NGRZXTXNNOSZFF-UHFFFAOYSA-N 0 3 330.348 0.994 20 5 ECBDHN CN(C)CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593235657 439355918 /nfs/dbraw/zinc/35/59/18/439355918.db2.gz YIWCKPDGGLRJJX-UHFFFAOYSA-N 0 3 334.376 0.370 20 5 ECBDHN C[NH2+]CCOCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000599106717 439357905 /nfs/dbraw/zinc/35/79/05/439357905.db2.gz INHVPRPJXMODBQ-UHFFFAOYSA-N 0 3 331.394 0.726 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CO)Cc2ccncc2)c1 ZINC000582785398 439380336 /nfs/dbraw/zinc/38/03/36/439380336.db2.gz DXQKMQGHRXRFIS-ZBFHGGJFSA-N 0 3 347.371 0.923 20 5 ECBDHN N[C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)CCN2C1=O ZINC000582857046 439390873 /nfs/dbraw/zinc/39/08/73/439390873.db2.gz HLDFLOUOFBPAAS-PWSUYJOCSA-N 0 3 327.344 0.891 20 5 ECBDHN O=C(CCNCCN1C(=O)CCC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000570711458 439443543 /nfs/dbraw/zinc/44/35/43/439443543.db2.gz VANKKNKQHNCRPZ-UHFFFAOYSA-N 0 3 334.332 0.662 20 5 ECBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593855962 439478886 /nfs/dbraw/zinc/47/88/86/439478886.db2.gz SGPWSHWRVJJANY-LLVKDONJSA-N 0 3 331.332 0.362 20 5 ECBDHN CN1CCN(C[C@@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000583626400 439491199 /nfs/dbraw/zinc/49/11/99/439491199.db2.gz QGPLWPWRIPLBCM-HNNXBMFYSA-N 0 3 338.408 0.172 20 5 ECBDHN O=[N+]([O-])c1cc(CN2CCN3C[C@H](O)C[C@H]3C2)c2c(c1)COCO2 ZINC000594025574 439508872 /nfs/dbraw/zinc/50/88/72/439508872.db2.gz JGEYWUIXHLTBSV-LSDHHAIUSA-N 0 3 335.360 0.712 20 5 ECBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594026647 439509884 /nfs/dbraw/zinc/50/98/84/439509884.db2.gz GKCOVFFLMNZURT-BYCMXARLSA-N 0 3 334.376 0.673 20 5 ECBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599938521 439581326 /nfs/dbraw/zinc/58/13/26/439581326.db2.gz CKHOHOSNAYVOLF-ZIAGYGMSSA-N 0 3 337.351 0.944 20 5 ECBDHN CCCC(=O)NC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610335926 439610523 /nfs/dbraw/zinc/61/05/23/439610523.db2.gz DUNIWQAPXXLNNN-CQSZACIVSA-N 0 3 339.396 0.533 20 5 ECBDHN CCN(CCO)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000613579968 439759400 /nfs/dbraw/zinc/75/94/00/439759400.db2.gz DNGAMRMYMPKWNC-UHFFFAOYSA-N 0 3 325.365 0.770 20 5 ECBDHN CC(C)[C@](C)(NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000289470582 320669053 /nfs/dbraw/zinc/66/90/53/320669053.db2.gz YZLVLGDYIBWWHW-WFASDCNBSA-N 0 3 325.365 0.824 20 5 ECBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1 ZINC000346164742 321217202 /nfs/dbraw/zinc/21/72/02/321217202.db2.gz QAWIUHAFRMWNSM-GUTXKFCHSA-N 0 3 348.403 0.945 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1N1CCCC1 ZINC000361620198 321617672 /nfs/dbraw/zinc/61/76/72/321617672.db2.gz DZVKVHUZPITYSR-VXGBXAGGSA-N 0 3 339.421 0.980 20 5 ECBDHN CC(C)(C)OC(=O)N1CC(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000497255850 321959899 /nfs/dbraw/zinc/95/98/99/321959899.db2.gz ZZWPWWMDNMZRBP-LBPRGKRZSA-N 0 3 341.368 0.361 20 5 ECBDHN CN(C)CCN(CCN(C)C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000531357094 322039048 /nfs/dbraw/zinc/03/90/48/322039048.db2.gz QVTSKYUMOIYALY-UHFFFAOYSA-N 0 3 338.408 0.925 20 5 ECBDHN Cc1c(NC(=O)CCN2CC[C@H](CO)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000562383066 322272056 /nfs/dbraw/zinc/27/20/56/322272056.db2.gz QDTHGGWMGUITQL-DOMZBBRYSA-N 0 3 337.376 0.907 20 5 ECBDHN C[S@@](=O)C1(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000563002971 322292473 /nfs/dbraw/zinc/29/24/73/322292473.db2.gz MGZOHQLQOKZSBJ-KPWVOAKYSA-N 0 3 328.390 0.835 20 5 ECBDHN Cn1cc(C[C@H](CO)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000564086361 322361113 /nfs/dbraw/zinc/36/11/13/322361113.db2.gz XQXKYNGBEPNPLU-CYBMUJFWSA-N 0 3 347.375 0.850 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000571300020 322716977 /nfs/dbraw/zinc/71/69/77/322716977.db2.gz UWRPWUAOGHZOIR-CHWSQXEVSA-N 0 3 333.348 0.048 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CO)Cc1ccncc1 ZINC000573564997 322763967 /nfs/dbraw/zinc/76/39/67/322763967.db2.gz PMWLRHTVVPGYTF-LSDHHAIUSA-N 0 3 347.371 0.923 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C1=O ZINC000577077737 322824472 /nfs/dbraw/zinc/82/44/72/322824472.db2.gz OTDYXKOIPZGDRL-GHMZBOCLSA-N 0 3 331.332 0.480 20 5 ECBDHN COc1ccc(NC(=O)CCN2CC(C)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000577175144 322827283 /nfs/dbraw/zinc/82/72/83/322827283.db2.gz GXUOHSGNPLPDJZ-UHFFFAOYSA-N 0 3 336.348 0.739 20 5 ECBDHN O=C(CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCc2ccccc21 ZINC000577503212 322837283 /nfs/dbraw/zinc/83/72/83/322837283.db2.gz MTMVYIWXAPXAIF-CQSZACIVSA-N 0 3 345.359 0.331 20 5 ECBDHN C[C@@H]1OCC[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178683875 534197489 /nfs/dbraw/zinc/19/74/89/534197489.db2.gz JBEMUXKKSRRJFB-GXFFZTMASA-N 0 3 329.378 0.640 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000566495822 517734060 /nfs/dbraw/zinc/73/40/60/517734060.db2.gz KSSOBJRANRMIAO-GWCFXTLKSA-N 0 3 348.359 0.378 20 5 ECBDHN CN(C)CCOCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000753433598 579400971 /nfs/dbraw/zinc/40/09/71/579400971.db2.gz MWTRCSORIPQTKO-UHFFFAOYSA-N 0 3 335.364 0.639 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCS(=O)(=O)C2)c1 ZINC000746286059 579835469 /nfs/dbraw/zinc/83/54/69/579835469.db2.gz DZAVTUGSRZPATO-PWSUYJOCSA-N 0 3 330.362 0.111 20 5 ECBDHN CNS(=O)(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OC ZINC000813103906 587248142 /nfs/dbraw/zinc/24/81/42/587248142.db2.gz HZUUDZVSNCNUIM-QMMMGPOBSA-N 0 3 332.334 0.425 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC3(CC2)OCCCO3)c1 ZINC000815157861 587283936 /nfs/dbraw/zinc/28/39/36/587283936.db2.gz XHCBLVQOPYHOTE-ZDUSSCGKSA-N 0 3 326.353 0.381 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@H](O)C2CC2)cc1 ZINC000818975703 587463083 /nfs/dbraw/zinc/46/30/83/587463083.db2.gz LJJSDHJAVJTCHV-ZDUSSCGKSA-N 0 3 329.378 0.234 20 5 ECBDHN CS(=O)(=O)N1CCC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818976633 587463172 /nfs/dbraw/zinc/46/31/72/587463172.db2.gz LHQVNRBUIWQAOO-JSGCOSHPSA-N 0 3 343.405 0.642 20 5 ECBDHN CN1CCN(C(=O)CCNC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819062983 587466385 /nfs/dbraw/zinc/46/63/85/587466385.db2.gz VFXUYDRHMSZCQJ-HNNXBMFYSA-N 0 3 336.392 0.382 20 5 ECBDHN CN1CCN(C[C@@H](O)CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000819150261 587470548 /nfs/dbraw/zinc/47/05/48/587470548.db2.gz OJYHNTNYMOCQGA-AWEZNQCLSA-N 0 3 342.827 0.946 20 5 ECBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000824297903 587866390 /nfs/dbraw/zinc/86/63/90/587866390.db2.gz KCYJMOAMPUXFHI-UONOGXRCSA-N 0 3 337.351 0.944 20 5 ECBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825516950 587947812 /nfs/dbraw/zinc/94/78/12/587947812.db2.gz HHDQWRMXVCIDJH-RBSFLKMASA-N 0 3 335.360 0.608 20 5 ECBDHN NC[C@@H]1CC(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)=NO1 ZINC000852861076 589519085 /nfs/dbraw/zinc/51/90/85/589519085.db2.gz OBAFYMSMSCHWJH-ZDUSSCGKSA-N 0 3 333.348 0.347 20 5 ECBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000854014928 589568569 /nfs/dbraw/zinc/56/85/69/589568569.db2.gz FGJJYTCWRHZSOL-UHFFFAOYSA-N 0 3 336.304 0.626 20 5 ECBDHN Cn1ncc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)n1 ZINC000946589153 611356431 /nfs/dbraw/zinc/35/64/31/611356431.db2.gz ISNNDQGLRZTZTR-AYRXBEOTSA-N 0 3 348.407 0.151 20 5 ECBDHN CCc1nnc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000997772134 743801994 /nfs/dbraw/zinc/80/19/94/743801994.db2.gz LMWLNJKRLOANKN-VXGBXAGGSA-N 0 3 337.380 0.625 20 5 ECBDHN COc1ccc(CN2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001001399006 746340135 /nfs/dbraw/zinc/34/01/35/746340135.db2.gz HKPPTOHWDRSQBQ-ZIAGYGMSSA-N 0 3 349.391 0.479 20 5 ECBDHN Cn1nccc1CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981765253 751075856 /nfs/dbraw/zinc/07/58/56/751075856.db2.gz WSEZSYXFMWSTOH-ZIAGYGMSSA-N 0 3 333.392 0.510 20 5 ECBDHN Cn1cc(CCN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001017544224 768099427 /nfs/dbraw/zinc/09/94/27/768099427.db2.gz NQNAEKDVLTYGGS-LXTVHRRPSA-N 0 3 333.392 0.303 20 5 ECBDHN Cc1nccnc1CN1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045437451 775611606 /nfs/dbraw/zinc/61/16/06/775611606.db2.gz RSTSQWNDRPVDNU-TZMCWYRMSA-N 0 3 333.392 0.921 20 5 ECBDHN CCC(=O)NCCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079150759 780815427 /nfs/dbraw/zinc/81/54/27/780815427.db2.gz GLZDQGLAIWCRPK-ZIAGYGMSSA-N 0 3 340.424 0.492 20 5 ECBDHN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](N2CCCC2)C1 ZINC000161914027 283539085 /nfs/dbraw/zinc/53/90/85/283539085.db2.gz OZKQCUQBXJYTMN-LBPRGKRZSA-N 0 3 340.405 0.917 20 5 ECBDHN COc1ccc(S(=O)(=O)N[C@H]2CNCC[C@H]2C)cc1[N+](=O)[O-] ZINC000193418163 240158940 /nfs/dbraw/zinc/15/89/40/240158940.db2.gz HTPNIDVADRSKAZ-KOLCDFICSA-N 0 3 329.378 0.880 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@](O)(CO)C2)c1 ZINC000459652095 211848780 /nfs/dbraw/zinc/84/87/80/211848780.db2.gz QBQQNWBPJIQAQE-HIFRSBDPSA-N 0 3 326.349 0.154 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@H]1CCC[NH2+]C1)OCCO2 ZINC000262770600 296502175 /nfs/dbraw/zinc/50/21/75/296502175.db2.gz VTSAIOQFIUUSSU-VIFPVBQESA-N 0 3 343.361 0.396 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000246798093 165142526 /nfs/dbraw/zinc/14/25/26/165142526.db2.gz SNURYBWVCPSVGF-TZMCWYRMSA-N 0 3 335.368 0.156 20 5 ECBDHN COCCNCCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262663900 165372205 /nfs/dbraw/zinc/37/22/05/165372205.db2.gz NVVCLIDKQSGDNW-UHFFFAOYSA-N 0 3 339.348 0.261 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000262809491 165390103 /nfs/dbraw/zinc/39/01/03/165390103.db2.gz XTWYBKATUNOLSC-ONGXEEELSA-N 0 3 329.378 0.880 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1N1CCCC1 ZINC000331639216 296950607 /nfs/dbraw/zinc/95/06/07/296950607.db2.gz UISAISCHWFHOLE-NWDGAFQWSA-N 0 3 339.421 0.980 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1CN(S(C)(=O)=O)C1 ZINC000189694763 263163328 /nfs/dbraw/zinc/16/33/28/263163328.db2.gz GUVKITTWJRYJAM-UHFFFAOYSA-N 0 3 343.405 0.975 20 5 ECBDHN C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000269646164 263194432 /nfs/dbraw/zinc/19/44/32/263194432.db2.gz SNXCONJBDQHCQX-CHWSQXEVSA-N 0 3 336.392 0.993 20 5 ECBDHN CC(=O)N1CCN(CCN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284018800 264181210 /nfs/dbraw/zinc/18/12/10/264181210.db2.gz IQOYHALJDPJOIJ-GFCCVEGCSA-N 0 3 335.408 0.992 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295362695 265061205 /nfs/dbraw/zinc/06/12/05/265061205.db2.gz OQKXXOXMVOFFHR-ZETCQYMHSA-N 0 3 344.305 0.410 20 5 ECBDHN COC(=O)C1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298930726 265302772 /nfs/dbraw/zinc/30/27/72/265302772.db2.gz BTPAPUXRKAJXCO-UHFFFAOYSA-N 0 3 338.364 0.928 20 5 ECBDHN CN1CC[C@@H]2CN([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000448557138 277149802 /nfs/dbraw/zinc/14/98/02/277149802.db2.gz SGEICJYYWCBKOI-UGFHNGPFSA-N 0 3 344.371 0.863 20 5 ECBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 ZINC000332676477 297064665 /nfs/dbraw/zinc/06/46/65/297064665.db2.gz ROSREAWCJOYVMV-NSHDSACASA-N 0 3 345.425 0.916 20 5 ECBDHN CN(CCCNC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000338058452 297237738 /nfs/dbraw/zinc/23/77/38/297237738.db2.gz ZIZIJBHDEXGEAD-UHFFFAOYSA-N 0 3 332.364 0.825 20 5 ECBDHN CO[C@H]1C[C@H](CN2CCCC2)N(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000348001905 298544157 /nfs/dbraw/zinc/54/41/57/298544157.db2.gz DSWHNWXIFBARPS-NEPJUHHUSA-N 0 3 337.380 0.654 20 5 ECBDHN CC(=O)N[C@H](C)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000360306900 299969950 /nfs/dbraw/zinc/96/99/50/299969950.db2.gz AVFUYOBZBMFHLQ-GFCCVEGCSA-N 0 3 336.392 0.993 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363759419 300291625 /nfs/dbraw/zinc/29/16/25/300291625.db2.gz VEOGUHKYVRHELM-OLZOCXBDSA-N 0 3 335.360 0.953 20 5 ECBDHN N[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccc(F)cc1 ZINC000364204247 300335439 /nfs/dbraw/zinc/33/54/39/300335439.db2.gz YZPFOBHCXFABQQ-STQMWFEESA-N 0 3 333.323 0.884 20 5 ECBDHN COCCCN1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000364298115 300343597 /nfs/dbraw/zinc/34/35/97/300343597.db2.gz DHJBULYBGUWBQM-UHFFFAOYSA-N 0 3 337.380 0.637 20 5 ECBDHN COCCCN1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000375234343 301160982 /nfs/dbraw/zinc/16/09/82/301160982.db2.gz QFSNERNKMZFLOR-UHFFFAOYSA-N 0 3 337.380 0.756 20 5 ECBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CN2CCN1CCC2 ZINC000375984166 301224879 /nfs/dbraw/zinc/22/48/79/301224879.db2.gz KPLZFPJYWOWWSE-INIZCTEOSA-N 0 3 332.404 0.986 20 5 ECBDHN CCN(CCO)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000274530025 436839783 /nfs/dbraw/zinc/83/97/83/436839783.db2.gz ZUSNIZJTTGRILH-UHFFFAOYSA-N 0 3 338.364 0.272 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@](C)(O)CCN(C)C ZINC000429902892 302645270 /nfs/dbraw/zinc/64/52/70/302645270.db2.gz XFDLIOWOBDCWGC-AWEZNQCLSA-N 0 3 327.385 0.309 20 5 ECBDHN CC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000129389052 436827133 /nfs/dbraw/zinc/82/71/33/436827133.db2.gz PXDBJBHYJNXNEI-SECBINFHSA-N 0 3 326.378 0.678 20 5 ECBDHN CS[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCCC1 ZINC000275094703 436922708 /nfs/dbraw/zinc/92/27/08/436922708.db2.gz IVJANPKVKVJNQD-STQMWFEESA-N 0 3 339.421 0.830 20 5 ECBDHN CS[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCCC1 ZINC000275094696 436923450 /nfs/dbraw/zinc/92/34/50/436923450.db2.gz IVJANPKVKVJNQD-QWHCGFSZSA-N 0 3 339.421 0.830 20 5 ECBDHN CN1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](CN)C1 ZINC000162483694 436906839 /nfs/dbraw/zinc/90/68/39/436906839.db2.gz IFEBNNMRBRACQU-HNNXBMFYSA-N 0 3 344.375 0.495 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])NCCCN1CCC(O)CC1 ZINC000136126253 436929961 /nfs/dbraw/zinc/92/99/61/436929961.db2.gz ODRAIAUOPSEVKG-UHFFFAOYSA-N 0 3 337.376 0.937 20 5 ECBDHN NC(=O)N[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000275595780 436988703 /nfs/dbraw/zinc/98/87/03/436988703.db2.gz JYAWISOTFUXBAP-VIFPVBQESA-N 0 3 339.327 0.805 20 5 ECBDHN CN(CCN1CCOCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264824470 437090096 /nfs/dbraw/zinc/09/00/96/437090096.db2.gz FDDQORHVIIFIGK-HNNXBMFYSA-N 0 3 339.392 0.599 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(c3ccncc3)CC2)c1 ZINC000305087425 437159821 /nfs/dbraw/zinc/15/98/21/437159821.db2.gz OJDNTFBQTKBQLI-HNNXBMFYSA-N 0 3 332.364 0.369 20 5 ECBDHN CN1CCO[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000331867581 437171600 /nfs/dbraw/zinc/17/16/00/437171600.db2.gz CBFJAXFTPZKSCX-CABCVRRESA-N 0 3 334.376 0.938 20 5 ECBDHN C[C@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000287725859 437226275 /nfs/dbraw/zinc/22/62/75/437226275.db2.gz YFNFXNHCNODKKL-QWRGUYRKSA-N 0 3 325.369 0.937 20 5 ECBDHN Cc1nn(C)c(C(=O)NCCCN2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000278673368 437332844 /nfs/dbraw/zinc/33/28/44/437332844.db2.gz UCXLNFGUTGKWHJ-LLVKDONJSA-N 0 3 339.396 0.867 20 5 ECBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(N2CCNCC2)cn1 ZINC000269163150 437462393 /nfs/dbraw/zinc/46/23/93/437462393.db2.gz OAJLFVXTKQTTIG-UHFFFAOYSA-N 0 3 345.363 0.625 20 5 ECBDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000192921369 437698362 /nfs/dbraw/zinc/69/83/62/437698362.db2.gz DTBWJUTVGXVOBC-AOOOYVTPSA-N 0 3 329.353 0.916 20 5 ECBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000356369829 437761309 /nfs/dbraw/zinc/76/13/09/437761309.db2.gz FPLZAOOGLNANIH-NWDGAFQWSA-N 0 3 349.391 0.603 20 5 ECBDHN COc1cc(OCC(=O)NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000423984053 437870839 /nfs/dbraw/zinc/87/08/39/437870839.db2.gz BDDMCHFCCYSMDA-LLVKDONJSA-N 0 3 325.321 0.087 20 5 ECBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CCN(C)CC1 ZINC000371341310 437922630 /nfs/dbraw/zinc/92/26/30/437922630.db2.gz NCORBFBJNXMXCC-HOCLYGCPSA-N 0 3 336.440 0.749 20 5 ECBDHN Cn1cc([C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]2N)cn1 ZINC000424222860 437905577 /nfs/dbraw/zinc/90/55/77/437905577.db2.gz FZHGSVLOPTVRGF-LSDHHAIUSA-N 0 3 345.359 0.660 20 5 ECBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCN1CCCC1 ZINC000357570152 438014342 /nfs/dbraw/zinc/01/43/42/438014342.db2.gz IWNSJLWQHJTMKC-UHFFFAOYSA-N 0 3 348.359 0.532 20 5 ECBDHN COC(=O)COc1ccc(CN(C)CCC(N)=O)cc1[N+](=O)[O-] ZINC000348835735 438107322 /nfs/dbraw/zinc/10/73/22/438107322.db2.gz BIESBOFLEJZUFH-UHFFFAOYSA-N 0 3 325.321 0.454 20 5 ECBDHN COC(=O)[C@@H](C)NC(=O)c1ccc(NCCN(C)C)c([N+](=O)[O-])c1 ZINC000351634117 438309559 /nfs/dbraw/zinc/30/95/59/438309559.db2.gz ZNOHBECULJIOOE-SNVBAGLBSA-N 0 3 338.364 0.860 20 5 ECBDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369825211 438520859 /nfs/dbraw/zinc/52/08/59/438520859.db2.gz GZQLCMGGWXBAAX-GHYVTOPFSA-N 0 3 337.380 0.271 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000408338914 438557537 /nfs/dbraw/zinc/55/75/37/438557537.db2.gz MWLJITPUBCZQCI-CYBMUJFWSA-N 0 3 335.364 0.302 20 5 ECBDHN C[C@H]1CC[NH2+]C[C@@H]1NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979795 438623351 /nfs/dbraw/zinc/62/33/51/438623351.db2.gz KGWZKQPEDXBCRQ-RYUDHWBXSA-N 0 3 342.421 0.461 20 5 ECBDHN CC(C)(C(=O)N[C@H]1CCCN(CCCO)C1)n1cc([N+](=O)[O-])cn1 ZINC000452796514 438675264 /nfs/dbraw/zinc/67/52/64/438675264.db2.gz NJCUPWLFSLNLQX-LBPRGKRZSA-N 0 3 339.396 0.489 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2C[C@@H](C)NC[C@H]2C)ccc1[N+](=O)[O-] ZINC000423511503 438682262 /nfs/dbraw/zinc/68/22/62/438682262.db2.gz TXHSNCQUEHDBHD-VXGBXAGGSA-N 0 3 334.376 0.842 20 5 ECBDHN COc1ccc(NC(=O)CCN2C[C@@H](O)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000451761092 438713501 /nfs/dbraw/zinc/71/35/01/438713501.db2.gz OPTFPDFYPQGOSK-ZIAGYGMSSA-N 0 3 339.348 0.624 20 5 ECBDHN COc1cc(C[NH2+]CC2CN(S(C)(=O)=O)C2)c([N+](=O)[O-])cc1[O-] ZINC000495159037 438721043 /nfs/dbraw/zinc/72/10/43/438721043.db2.gz OHMOGGLPSOYWKL-UHFFFAOYSA-N 0 3 345.377 0.290 20 5 ECBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548086257 438722638 /nfs/dbraw/zinc/72/26/38/438722638.db2.gz ZQZAOFGIBDQPDI-UHFFFAOYSA-N 0 3 336.396 0.282 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](Cn2ccnn2)C1 ZINC000595608413 438835153 /nfs/dbraw/zinc/83/51/53/438835153.db2.gz PGPQHHXDPDWIKS-KGLIPLIRSA-N 0 3 347.375 0.948 20 5 ECBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860101 438844153 /nfs/dbraw/zinc/84/41/53/438844153.db2.gz DMOOYPYFYOUJDT-NEPJUHHUSA-N 0 3 345.359 0.752 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590045249 438898802 /nfs/dbraw/zinc/89/88/02/438898802.db2.gz OEUOIEUGGWZDJM-NJZAAPMLSA-N 0 3 346.387 0.876 20 5 ECBDHN O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000577608751 438856903 /nfs/dbraw/zinc/85/69/03/438856903.db2.gz AORQMWLQYUQISP-UHFFFAOYSA-N 0 3 349.391 0.642 20 5 ECBDHN O=C(NC1CCC([NH+]2CCNCC2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000577608751 438856906 /nfs/dbraw/zinc/85/69/06/438856906.db2.gz AORQMWLQYUQISP-UHFFFAOYSA-N 0 3 349.391 0.642 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(CO)(CO)C1 ZINC000595799520 438862566 /nfs/dbraw/zinc/86/25/66/438862566.db2.gz MEAVZTUGYXMOBY-UHFFFAOYSA-N 0 3 337.376 0.909 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(CO)(CO)C2)c1 ZINC000595801388 438864601 /nfs/dbraw/zinc/86/46/01/438864601.db2.gz WLUMGADHKOFJHT-ZDUSSCGKSA-N 0 3 326.349 0.011 20 5 ECBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@H]2CNCCO2)CC1 ZINC000595884023 438876904 /nfs/dbraw/zinc/87/69/04/438876904.db2.gz AFJDJYMJXAWGJM-OAHLLOKOSA-N 0 3 334.376 0.341 20 5 ECBDHN CN1CC[C@@H]2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590582792 438934985 /nfs/dbraw/zinc/93/49/85/438934985.db2.gz UQYKOEONBZNNIH-ZWNOBZJWSA-N 0 3 340.405 0.773 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@](O)(CN(C)C)C2)n1 ZINC000597573163 439130430 /nfs/dbraw/zinc/13/04/30/439130430.db2.gz BWUOMPAZAQOBRU-CQSZACIVSA-N 0 3 325.369 0.340 20 5 ECBDHN N[C@@H]1C[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CCN2C1=O ZINC000581022680 439160471 /nfs/dbraw/zinc/16/04/71/439160471.db2.gz DRGRRVZGVGIBLK-VHSXEESVSA-N 0 3 328.332 0.286 20 5 ECBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000598261008 439245182 /nfs/dbraw/zinc/24/51/82/439245182.db2.gz CLAHPHRCCROESX-ZDUSSCGKSA-N 0 3 336.392 0.993 20 5 ECBDHN Cc1sc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593235406 439354970 /nfs/dbraw/zinc/35/49/70/439354970.db2.gz UJRLTNJIULRQSI-UHFFFAOYSA-N 0 3 340.405 0.811 20 5 ECBDHN C[NH2+]CCOCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000599106691 439358031 /nfs/dbraw/zinc/35/80/31/439358031.db2.gz HIYRBFYMUBEYEH-UHFFFAOYSA-N 0 3 333.366 0.118 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CO)Cc2ccncc2)c1 ZINC000582785395 439380685 /nfs/dbraw/zinc/38/06/85/439380685.db2.gz DXQKMQGHRXRFIS-GDBMZVCRSA-N 0 3 347.371 0.923 20 5 ECBDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599247627 439399350 /nfs/dbraw/zinc/39/93/50/439399350.db2.gz GKTAYEGELBQTPV-NSHDSACASA-N 0 3 345.425 0.823 20 5 ECBDHN Cc1cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)ccc1[N+](=O)[O-] ZINC000570519511 439426849 /nfs/dbraw/zinc/42/68/49/439426849.db2.gz GQUAPUNFYMVRAL-LLVKDONJSA-N 0 3 328.394 0.167 20 5 ECBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN4C[C@H](O)C[C@H]4C3)o2)cc1 ZINC000594025604 439510123 /nfs/dbraw/zinc/51/01/23/439510123.db2.gz OPPVICJJCNROJA-UONOGXRCSA-N 0 3 345.359 0.896 20 5 ECBDHN CN1CCC(N2CC[C@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC000594287439 439536144 /nfs/dbraw/zinc/53/61/44/439536144.db2.gz AUMXQCYMSVKQIX-NSHDSACASA-N 0 3 348.407 0.470 20 5 ECBDHN CNc1nccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000594333116 439542809 /nfs/dbraw/zinc/54/28/09/439542809.db2.gz UNSYNVAAPQXCNS-QWRGUYRKSA-N 0 3 339.421 1.149 20 5 ECBDHN Cn1nc2c(c1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000584049087 439544025 /nfs/dbraw/zinc/54/40/25/439544025.db2.gz YDPDQRYFKRRCAU-GFCCVEGCSA-N 0 3 334.380 0.554 20 5 ECBDHN CN(C)c1ncc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])n1C ZINC000584586279 439603366 /nfs/dbraw/zinc/60/33/66/439603366.db2.gz SFSFQHZWGNZKMC-ZDUSSCGKSA-N 0 3 349.391 0.924 20 5 ECBDHN O=C(CCN[C@H](CO)CN1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000573444953 439646380 /nfs/dbraw/zinc/64/63/80/439646380.db2.gz ITMQLDVDWDIMCK-ZDUSSCGKSA-N 0 3 336.392 0.970 20 5 ECBDHN CNc1nccc(C(=O)NC[C@@H]2CCCN2CCOC)c1[N+](=O)[O-] ZINC000573813226 439668003 /nfs/dbraw/zinc/66/80/03/439668003.db2.gz BGXBRKHCJTWPKV-NSHDSACASA-N 0 3 337.380 0.872 20 5 ECBDHN CC(C)(CO)N1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611165971 439676532 /nfs/dbraw/zinc/67/65/32/439676532.db2.gz PJYQKKSSVLUHLO-UHFFFAOYSA-N 0 3 347.375 1.000 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000611185090 439677548 /nfs/dbraw/zinc/67/75/48/439677548.db2.gz UVUYQIQWXMAGOK-HUUCEWRRSA-N 0 3 336.392 0.288 20 5 ECBDHN CC(C)[C@H](NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000180053725 320524024 /nfs/dbraw/zinc/52/40/24/320524024.db2.gz QJMOUGRWHBZMBO-ZDUSSCGKSA-N 0 3 325.369 0.264 20 5 ECBDHN COC(=O)COc1ccc(CNCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000353755946 321412634 /nfs/dbraw/zinc/41/26/34/321412634.db2.gz DKTCNSKZYXRSSX-UHFFFAOYSA-N 0 3 349.347 0.607 20 5 ECBDHN COC(=O)COc1ccc(CNCCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000353759071 321413002 /nfs/dbraw/zinc/41/30/02/321413002.db2.gz NWGLRNIZMQNOPZ-UHFFFAOYSA-N 0 3 339.348 0.715 20 5 ECBDHN CN(C)CCOC1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000353800080 321417252 /nfs/dbraw/zinc/41/72/52/321417252.db2.gz FGSYQKKVPCOCLT-UHFFFAOYSA-N 0 3 339.396 0.751 20 5 ECBDHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000546880927 322123389 /nfs/dbraw/zinc/12/33/89/322123389.db2.gz ULTFJCOJGBFXRG-UHFFFAOYSA-N 0 3 344.437 0.709 20 5 ECBDHN C[C@H](CN1CCCC1=O)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000555338750 322179393 /nfs/dbraw/zinc/17/93/93/322179393.db2.gz MUBWIAFVVFGICU-OCCSQVGLSA-N 0 3 337.376 0.935 20 5 ECBDHN CN(C)CCN(C)C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000560644118 322248388 /nfs/dbraw/zinc/24/83/88/322248388.db2.gz SFQUNEXUIRREAZ-UHFFFAOYSA-N 0 3 334.376 0.500 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000564584406 322381902 /nfs/dbraw/zinc/38/19/02/322381902.db2.gz DYRTWZHPCVVZTN-QWHCGFSZSA-N 0 3 347.375 0.086 20 5 ECBDHN Cn1cnc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000564858389 322401022 /nfs/dbraw/zinc/40/10/22/322401022.db2.gz CDWBBIXLKQTMKP-UHFFFAOYSA-N 0 3 338.389 0.934 20 5 ECBDHN NC(=O)CC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000579465389 322897449 /nfs/dbraw/zinc/89/74/49/322897449.db2.gz WQENNOINDIQTCD-UHFFFAOYSA-N 0 3 341.389 0.614 20 5 ECBDHN CN1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](CN)C1 ZINC000579834832 322908218 /nfs/dbraw/zinc/90/82/18/322908218.db2.gz VXWNWDLNXFFTIU-AWEZNQCLSA-N 0 3 344.375 0.495 20 5 ECBDHN C[C@H](OC(=O)C1CCN(C)C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000772530704 579209695 /nfs/dbraw/zinc/20/96/95/579209695.db2.gz ZARNFPXWBIHFJN-JOYOIKCWSA-N 0 3 335.316 0.943 20 5 ECBDHN O=CN1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000774345611 579245945 /nfs/dbraw/zinc/24/59/45/579245945.db2.gz DLHBEETWGVKNDX-UHFFFAOYSA-N 0 3 341.389 0.579 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000762719866 579546766 /nfs/dbraw/zinc/54/67/66/579546766.db2.gz RWQSNYUPIIPVGP-HNNXBMFYSA-N 0 3 333.348 0.127 20 5 ECBDHN Cn1cc([C@H](O)CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000843086344 589049947 /nfs/dbraw/zinc/04/99/47/589049947.db2.gz BKPVQQWQJOGDJN-TZMCWYRMSA-N 0 3 336.348 0.391 20 5 ECBDHN Cn1cc([C@@H](O)CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000843086343 589050087 /nfs/dbraw/zinc/05/00/87/589050087.db2.gz BKPVQQWQJOGDJN-OCCSQVGLSA-N 0 3 336.348 0.391 20 5 ECBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCCC1 ZINC000808222536 587150310 /nfs/dbraw/zinc/15/03/10/587150310.db2.gz MMPOTPBNJYGGAS-LBPRGKRZSA-N 0 3 336.392 0.847 20 5 ECBDHN CC(COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)[N+](=O)[O-] ZINC000813109079 587248344 /nfs/dbraw/zinc/24/83/44/587248344.db2.gz DXGSGNXRLACHDB-RULNRJAQSA-N 0 3 327.337 0.696 20 5 ECBDHN CC(COC(=O)c1ccc(CCNS(C)(=O)=O)cc1)[N+](=O)[O-] ZINC000813106439 587248420 /nfs/dbraw/zinc/24/84/20/587248420.db2.gz CDRAMNMSQTVOEI-JTQLQIEISA-N 0 3 330.362 0.600 20 5 ECBDHN CC(COC(=O)CCNS(=O)(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813108999 587248603 /nfs/dbraw/zinc/24/86/03/587248603.db2.gz DBHMWUHAORUNND-VIFPVBQESA-N 0 3 334.325 0.703 20 5 ECBDHN CN(C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000817131840 587334263 /nfs/dbraw/zinc/33/42/63/587334263.db2.gz RWQGWGBCIXEFQN-NSHDSACASA-N 0 3 328.394 0.773 20 5 ECBDHN CN(C)C(=O)[C@@H]1CC[C@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819207547 587472149 /nfs/dbraw/zinc/47/21/49/587472149.db2.gz JWZQYNSNLKOVJQ-KFWWJZLASA-N 0 3 337.376 0.854 20 5 ECBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@](C)(O)c1ccccc1 ZINC000823592352 587732821 /nfs/dbraw/zinc/73/28/21/587732821.db2.gz RAMNOSIXAUFQKZ-HZPDHXFCSA-N 0 3 334.376 0.992 20 5 ECBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@]1(O)CCc2ccccc21 ZINC000829338717 588322438 /nfs/dbraw/zinc/32/24/38/588322438.db2.gz YRXQUMVJFHOIRO-WBVHZDCISA-N 0 3 346.387 0.918 20 5 ECBDHN Cc1ccc(CNC[C@]23COCCN2C(=O)COC3)cc1[N+](=O)[O-] ZINC000865800572 590158749 /nfs/dbraw/zinc/15/87/49/590158749.db2.gz KLGKQLAYJVQJIX-MRXNPFEDSA-N 0 3 335.360 0.621 20 5 ECBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000876476057 590380160 /nfs/dbraw/zinc/38/01/60/590380160.db2.gz UIFXHZWOJZFBJW-HNNXBMFYSA-N 0 3 331.413 0.628 20 5 ECBDHN O=C1CC[C@H](N2CCN(Cc3cccnc3[N+](=O)[O-])CC2)CCN1 ZINC000886237082 590816796 /nfs/dbraw/zinc/81/67/96/590816796.db2.gz VETUGCFPEXRMHL-AWEZNQCLSA-N 0 3 333.392 0.776 20 5 ECBDHN Cc1cc(CC(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]n1 ZINC000946705913 611426713 /nfs/dbraw/zinc/42/67/13/611426713.db2.gz ZFFGDGORVDXIJN-CHWSQXEVSA-N 0 3 335.364 0.033 20 5 ECBDHN CN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000925016027 608701176 /nfs/dbraw/zinc/70/11/76/608701176.db2.gz RYTXWPICMHUNAI-UHFFFAOYSA-N 0 3 336.392 0.849 20 5 ECBDHN CN(C)c1cc(F)c(C(=O)N(C)CCN(C)CCO)cc1[N+](=O)[O-] ZINC000912603777 609975495 /nfs/dbraw/zinc/97/54/95/609975495.db2.gz CKDLLHRZEDJODZ-UHFFFAOYSA-N 0 3 342.371 0.796 20 5 ECBDHN CCn1cc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)c(C)n1 ZINC001167435513 734272789 /nfs/dbraw/zinc/27/27/89/734272789.db2.gz CJVJOBMEZYJSLR-UHFFFAOYSA-N 0 3 349.395 0.763 20 5 ECBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CNCc2nc(C3CC3)no2)CC1 ZINC000997770933 743800847 /nfs/dbraw/zinc/80/08/47/743800847.db2.gz CNHVHZSEAYKCAZ-CHWSQXEVSA-N 0 3 349.391 0.940 20 5 ECBDHN Cc1[nH]nc(C(C)C)c1C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001811190 746740252 /nfs/dbraw/zinc/74/02/52/746740252.db2.gz YRZHWRBNRLGZDY-VXGBXAGGSA-N 0 3 349.391 0.695 20 5 ECBDHN Cc1n[nH]c(C(C)C)c1C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001811190 746740255 /nfs/dbraw/zinc/74/02/55/746740255.db2.gz YRZHWRBNRLGZDY-VXGBXAGGSA-N 0 3 349.391 0.695 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000985140356 747451753 /nfs/dbraw/zinc/45/17/53/747451753.db2.gz MXZAJIXYMRUAES-AULYBMBSSA-N 0 3 346.391 0.884 20 5 ECBDHN Cc1ccnc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000985431634 747998363 /nfs/dbraw/zinc/99/83/63/747998363.db2.gz RKJICTCNWYKYKQ-ZIAGYGMSSA-N 0 3 333.392 0.873 20 5 ECBDHN Cc1ocnc1C(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC000983278716 755049293 /nfs/dbraw/zinc/04/92/93/755049293.db2.gz JQRQWHHYKJOPTK-XYPYZODXSA-N 0 3 348.363 0.923 20 5 ECBDHN O=C(NCC1CN(Cc2ccc3nonc3c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662531 766380959 /nfs/dbraw/zinc/38/09/59/766380959.db2.gz GLSHJTXKYFJFBJ-BXUZGUMPSA-N 0 3 331.332 0.436 20 5 ECBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CCn1cncn1 ZINC001266645015 836080433 /nfs/dbraw/zinc/08/04/33/836080433.db2.gz VVGMYWMUDJFXRB-UHFFFAOYSA-N 0 3 332.364 0.825 20 5 ECBDHN Cc1cc(C(=O)NCCCN2CCN(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000178150455 232095285 /nfs/dbraw/zinc/09/52/85/232095285.db2.gz IEXNKGUCPWWYJF-UHFFFAOYSA-N 0 3 335.408 0.853 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CO)[C@@H]2CCCO2)c1 ZINC000447922338 211218473 /nfs/dbraw/zinc/21/84/73/211218473.db2.gz OSGNIPQQAREULX-SNPRPXQTSA-N 0 3 326.349 0.464 20 5 ECBDHN O=C(CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000447589303 211195887 /nfs/dbraw/zinc/19/58/87/211195887.db2.gz XMTCNCIGTQRJFI-STQMWFEESA-N 0 3 337.380 0.723 20 5 ECBDHN CNS(=O)(=O)CCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447595797 211195917 /nfs/dbraw/zinc/19/59/17/211195917.db2.gz ATXFCLNSLAINGL-MNOVXSKESA-N 0 3 331.398 0.414 20 5 ECBDHN CN(C)C(=O)[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411956207 208178563 /nfs/dbraw/zinc/17/85/63/208178563.db2.gz RCKLCJPIZQFQLG-STQMWFEESA-N 0 3 337.376 0.745 20 5 ECBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2c1cnn2C ZINC000246282720 165128560 /nfs/dbraw/zinc/12/85/60/165128560.db2.gz NTLHIWBYVTUBJW-OCCSQVGLSA-N 0 3 334.380 0.895 20 5 ECBDHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261698195 165229423 /nfs/dbraw/zinc/22/94/23/165229423.db2.gz FVUSYYHKWIMBCR-AWEZNQCLSA-N 0 3 344.375 0.913 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@H]1CC[NH2+]C1 ZINC000261858057 165254021 /nfs/dbraw/zinc/25/40/21/165254021.db2.gz FKFNBZBYNNUDDL-SNVBAGLBSA-N 0 3 329.378 0.881 20 5 ECBDHN CS[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1N1CCCC1 ZINC000331374212 296924049 /nfs/dbraw/zinc/92/40/49/296924049.db2.gz CLRGEEXNEYMKQP-GHMZBOCLSA-N 0 3 340.409 0.225 20 5 ECBDHN COCC1(O)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000270410706 263241148 /nfs/dbraw/zinc/24/11/48/263241148.db2.gz XKCDWKSWCNBXQM-CQSZACIVSA-N 0 3 340.376 0.808 20 5 ECBDHN CN1C(=O)NC2(CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000270952638 263288319 /nfs/dbraw/zinc/28/83/19/263288319.db2.gz SZRQJTAOVKBYFM-UHFFFAOYSA-N 0 3 348.359 0.990 20 5 ECBDHN COc1ccc(NC(=O)C(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272966783 263382587 /nfs/dbraw/zinc/38/25/87/263382587.db2.gz SJAOXGXBMYUXOJ-UHFFFAOYSA-N 0 3 348.359 0.920 20 5 ECBDHN COCCCN(CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275398174 263596181 /nfs/dbraw/zinc/59/61/81/263596181.db2.gz DNVNRYBPAUFLJU-CQSZACIVSA-N 0 3 328.365 0.665 20 5 ECBDHN CN(C)CCN1C[C@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000173898201 289158333 /nfs/dbraw/zinc/15/83/33/289158333.db2.gz VSVNTCFSKGLSBO-CQSZACIVSA-N 0 3 348.403 0.963 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000346177900 298233285 /nfs/dbraw/zinc/23/32/85/298233285.db2.gz AKOKSKAZLIZSTK-DGCLKSJQSA-N 0 3 348.363 0.902 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000346717686 298327526 /nfs/dbraw/zinc/32/75/26/298327526.db2.gz GMNWSQIOELAIJA-ZDUSSCGKSA-N 0 3 339.396 0.669 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCN(C)CC1 ZINC000048773531 436460001 /nfs/dbraw/zinc/46/00/01/436460001.db2.gz GUAXNBXEVAANIC-UHFFFAOYSA-N 0 3 336.348 0.752 20 5 ECBDHN CN(C)CCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000101665421 436550421 /nfs/dbraw/zinc/55/04/21/436550421.db2.gz XCBQCPVSVIRWNH-UHFFFAOYSA-N 0 3 336.348 0.961 20 5 ECBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCCCC1 ZINC000060666075 436634228 /nfs/dbraw/zinc/63/42/28/436634228.db2.gz ZBLDNDNDWOXGCQ-UHFFFAOYSA-N 0 3 334.376 0.927 20 5 ECBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000549219781 302337798 /nfs/dbraw/zinc/33/77/98/302337798.db2.gz UUBATHPYCMIOQF-GFCCVEGCSA-N 0 3 336.396 0.558 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000195194097 436683152 /nfs/dbraw/zinc/68/31/52/436683152.db2.gz SSTBTNMHXYPOCL-OAHLLOKOSA-N 0 3 346.387 0.973 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237324638 436731123 /nfs/dbraw/zinc/73/11/23/436731123.db2.gz QRUCMKCYFFAZIW-JTQLQIEISA-N 0 3 329.378 0.881 20 5 ECBDHN O=C(CNC1CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000238157719 436756492 /nfs/dbraw/zinc/75/64/92/436756492.db2.gz WDDMRALKENCAEH-UHFFFAOYSA-N 0 3 338.389 0.693 20 5 ECBDHN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000155693222 436800775 /nfs/dbraw/zinc/80/07/75/436800775.db2.gz JQKQVJWRLITIBM-DGCLKSJQSA-N 0 3 326.353 0.427 20 5 ECBDHN CN(C)CCOc1cc(CNC(=O)c2c([N+](=O)[O-])cnn2C)ccn1 ZINC000130113539 436833390 /nfs/dbraw/zinc/83/33/90/436833390.db2.gz GETBIJKGBBUMSC-UHFFFAOYSA-N 0 3 348.363 0.594 20 5 ECBDHN COc1ccc(CNC(=O)CNC(=O)[C@@H](N)C(C)C)cc1[N+](=O)[O-] ZINC000262048277 436903209 /nfs/dbraw/zinc/90/32/09/436903209.db2.gz IEIAVSMAMSGPLQ-AWEZNQCLSA-N 0 3 338.364 0.319 20 5 ECBDHN CN1CCN(c2cc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])ccn2)CC1 ZINC000136255159 436929113 /nfs/dbraw/zinc/92/91/13/436929113.db2.gz TZWUAQUDOVHCFT-UHFFFAOYSA-N 0 3 345.363 0.395 20 5 ECBDHN NS(=O)(=O)NC[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000170691073 436949810 /nfs/dbraw/zinc/94/98/10/436949810.db2.gz LUGORDLJHZYMBR-ZDUSSCGKSA-N 0 3 342.421 0.642 20 5 ECBDHN CCc1n[n-]c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000172413975 437014726 /nfs/dbraw/zinc/01/47/26/437014726.db2.gz RLYVBFBRGYURRS-JTQLQIEISA-N 0 3 325.369 0.578 20 5 ECBDHN C[C@H](O)CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000276149021 437063057 /nfs/dbraw/zinc/06/30/57/437063057.db2.gz DNLCHJADQBPDPL-AVGNSLFASA-N 0 3 328.365 0.398 20 5 ECBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C1CCOCC1 ZINC000174404582 437078614 /nfs/dbraw/zinc/07/86/14/437078614.db2.gz WEAFIJMSRQIUHM-UHFFFAOYSA-N 0 3 329.378 0.642 20 5 ECBDHN CC1(C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])COC1 ZINC000286735132 437125576 /nfs/dbraw/zinc/12/55/76/437125576.db2.gz XWUWFNRPNZNNNH-UHFFFAOYSA-N 0 3 329.378 0.499 20 5 ECBDHN CN1CCC(O)(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000266795729 437245640 /nfs/dbraw/zinc/24/56/40/437245640.db2.gz XMYXBYYZNOATPC-UHFFFAOYSA-N 0 3 336.392 0.970 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H]1COC[C@@H]1OC ZINC000290221437 437472179 /nfs/dbraw/zinc/47/21/79/437472179.db2.gz WMXZYMMUYZWRMM-JSGCOSHPSA-N 0 3 339.348 0.935 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Cn3cncn3)CC2)c1 ZINC000186204805 437463827 /nfs/dbraw/zinc/46/38/27/437463827.db2.gz LRBBAKVORGBYNY-CQSZACIVSA-N 0 3 335.368 0.156 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCNCC1 ZINC000415319474 437781224 /nfs/dbraw/zinc/78/12/24/437781224.db2.gz OJHGSRYYELYDKX-UHFFFAOYSA-N 0 3 336.348 0.754 20 5 ECBDHN Cc1n[nH]c(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000341600729 437871880 /nfs/dbraw/zinc/87/18/80/437871880.db2.gz WFMLRGHIXKKMIT-NSHDSACASA-N 0 3 325.369 0.449 20 5 ECBDHN N[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1c1cccc(F)c1 ZINC000424005823 437874930 /nfs/dbraw/zinc/87/49/30/437874930.db2.gz CNLLPYCRXZHKQA-QWHCGFSZSA-N 0 3 333.323 0.884 20 5 ECBDHN CN(C)S(=O)(=O)N1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000342241492 437987815 /nfs/dbraw/zinc/98/78/15/437987815.db2.gz ZPXBGOPRNSZNET-CYBMUJFWSA-N 0 3 342.421 0.955 20 5 ECBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000357649286 438037221 /nfs/dbraw/zinc/03/72/21/438037221.db2.gz PBMXVXMHVOYJDK-UHFFFAOYSA-N 0 3 336.392 0.582 20 5 ECBDHN O=C1C[C@]2(CN1)CCCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000342762618 438059401 /nfs/dbraw/zinc/05/94/01/438059401.db2.gz VUBJTKXJPAKXOD-DYVFJYSZSA-N 0 3 349.387 0.937 20 5 ECBDHN COC[C@@H](C)OC[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373242234 438138457 /nfs/dbraw/zinc/13/84/57/438138457.db2.gz LMYOSTGYCZHBCG-OCCSQVGLSA-N 0 3 342.396 0.841 20 5 ECBDHN COC(=O)[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000373182303 438134783 /nfs/dbraw/zinc/13/47/83/438134783.db2.gz HPWDBGVIDBMHQL-QWHCGFSZSA-N 0 3 338.364 0.427 20 5 ECBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000373305992 438143220 /nfs/dbraw/zinc/14/32/20/438143220.db2.gz SXCYIIVNEVJCCF-CHWSQXEVSA-N 0 3 349.391 0.865 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358400010 438217622 /nfs/dbraw/zinc/21/76/22/438217622.db2.gz VUGQNNVMULSAAZ-HNNXBMFYSA-N 0 3 336.348 0.025 20 5 ECBDHN NC[C@@H](NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000418866647 438227021 /nfs/dbraw/zinc/22/70/21/438227021.db2.gz KZOWCIPBUIHMCE-OAHLLOKOSA-N 0 3 348.403 0.887 20 5 ECBDHN C[C@@H](CN)NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418821945 438201471 /nfs/dbraw/zinc/20/14/71/438201471.db2.gz XVAPEXZIGFHSGK-QMMMGPOBSA-N 0 3 328.756 0.370 20 5 ECBDHN O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000359084494 438353512 /nfs/dbraw/zinc/35/35/12/438353512.db2.gz RBFJKGAXFPWLIT-ZDUSSCGKSA-N 0 3 345.359 0.467 20 5 ECBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000359581282 438462998 /nfs/dbraw/zinc/46/29/98/438462998.db2.gz WRMXASHOBNUNSR-IUODEOHRSA-N 0 3 326.349 0.418 20 5 ECBDHN CNS(=O)(=O)CCN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439145709 438500523 /nfs/dbraw/zinc/50/05/23/438500523.db2.gz JXDVBPMIRLAOEL-SNVBAGLBSA-N 0 3 344.393 0.451 20 5 ECBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C1CCN(C)CC1 ZINC000408076452 438505618 /nfs/dbraw/zinc/50/56/18/438505618.db2.gz JDDDLRSMTUTRIB-LLVKDONJSA-N 0 3 336.396 0.558 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000408338915 438557769 /nfs/dbraw/zinc/55/77/69/438557769.db2.gz MWLJITPUBCZQCI-ZDUSSCGKSA-N 0 3 335.364 0.302 20 5 ECBDHN O=C(NC[C@H](O)CN1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442558222 438609895 /nfs/dbraw/zinc/60/98/95/438609895.db2.gz ROCJTUGKRLZUAE-ZDUSSCGKSA-N 0 3 336.348 0.106 20 5 ECBDHN COc1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864036 438846978 /nfs/dbraw/zinc/84/69/78/438846978.db2.gz XFXAOVGRYUAZIL-OLZOCXBDSA-N 0 3 335.360 0.885 20 5 ECBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595735172 438850602 /nfs/dbraw/zinc/85/06/02/438850602.db2.gz DDQCUHJUXOPDLI-OLZOCXBDSA-N 0 3 326.349 0.682 20 5 ECBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595947784 438896580 /nfs/dbraw/zinc/89/65/80/438896580.db2.gz NZQSJTNNCBBKRH-MXWKQRLJSA-N 0 3 342.375 0.725 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1CNCCCn1cc(CO)nn1)OCCO2 ZINC000589321949 438868804 /nfs/dbraw/zinc/86/88/04/438868804.db2.gz PEWDPMAGSSKSIC-UHFFFAOYSA-N 0 3 349.347 0.630 20 5 ECBDHN CCC(=O)N1CC[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000564853873 438878617 /nfs/dbraw/zinc/87/86/17/438878617.db2.gz IKQDVLNCEQLFSJ-TZMCWYRMSA-N 0 3 337.376 0.935 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](F)[C@H](N)C1 ZINC000595905794 438885486 /nfs/dbraw/zinc/88/54/86/438885486.db2.gz FYYOEZQNUAQEOQ-GHMZBOCLSA-N 0 3 326.328 0.913 20 5 ECBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCOC2(CNC2)C1 ZINC000596099591 438925418 /nfs/dbraw/zinc/92/54/18/438925418.db2.gz SSHYJIRKUWMERS-UHFFFAOYSA-N 0 3 328.328 0.957 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](CO)CN(C)C)c1 ZINC000590548971 438930204 /nfs/dbraw/zinc/93/02/04/438930204.db2.gz JBQUCRSGEOELFT-LBPRGKRZSA-N 0 3 325.365 0.711 20 5 ECBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(CN2CCOCC2)C1 ZINC000590558763 438932382 /nfs/dbraw/zinc/93/23/82/438932382.db2.gz UDYKGFCZNNCBCZ-UHFFFAOYSA-N 0 3 345.359 0.875 20 5 ECBDHN COc1cccc2c1OC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000591733838 439077591 /nfs/dbraw/zinc/07/75/91/439077591.db2.gz RQVQXNWWCKVBLF-JSGCOSHPSA-N 0 3 348.359 0.754 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCNC(C)=O ZINC000592151972 439167503 /nfs/dbraw/zinc/16/75/03/439167503.db2.gz IEUJPVJCRFSLHT-UHFFFAOYSA-N 0 3 338.364 1.000 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000597652711 439149404 /nfs/dbraw/zinc/14/94/04/439149404.db2.gz FMZDBIBPORVUCH-GFCCVEGCSA-N 0 3 333.348 0.433 20 5 ECBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@H]1C ZINC000567690459 439165943 /nfs/dbraw/zinc/16/59/43/439165943.db2.gz BRGHSGXCNFSQPV-DYEKYZERSA-N 0 3 339.396 0.531 20 5 ECBDHN C[C@@H]1C[C@@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000592363454 439212615 /nfs/dbraw/zinc/21/26/15/439212615.db2.gz ZBNWEDGUSWEOHR-GHMZBOCLSA-N 0 3 329.378 0.640 20 5 ECBDHN COC(=O)[C@H]1CNCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592493496 439240878 /nfs/dbraw/zinc/24/08/78/439240878.db2.gz YSRDAAVHTOXPTP-CYBMUJFWSA-N 0 3 336.348 0.370 20 5 ECBDHN CN(C)CCN1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593051431 439335047 /nfs/dbraw/zinc/33/50/47/439335047.db2.gz JWJJRMNGKLLHES-UHFFFAOYSA-N 0 3 336.392 0.679 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000592870444 439294830 /nfs/dbraw/zinc/29/48/30/439294830.db2.gz DZTHZMUWZDEWMC-SNVBAGLBSA-N 0 3 338.339 0.926 20 5 ECBDHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599110442 439361577 /nfs/dbraw/zinc/36/15/77/439361577.db2.gz HYZSVLMAJALTEF-DTWKUNHWSA-N 0 3 343.361 0.395 20 5 ECBDHN CCc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000582848123 439388547 /nfs/dbraw/zinc/38/85/47/439388547.db2.gz GYRPBJQLWKWEGV-GFCCVEGCSA-N 0 3 342.421 0.421 20 5 ECBDHN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)NCCN(C)C ZINC000583403064 439459421 /nfs/dbraw/zinc/45/94/21/439459421.db2.gz JIIFRIGLLHKYDT-MRVPVSSYSA-N 0 3 341.343 0.112 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN(C)C)CCN(C)C ZINC000583862740 439520612 /nfs/dbraw/zinc/52/06/12/439520612.db2.gz DXDXRLHJEBVWNB-UHFFFAOYSA-N 0 3 340.428 0.442 20 5 ECBDHN Cc1ccc(NC(=O)C(=O)NC2(CN)CCOCC2)cc1[N+](=O)[O-] ZINC000599897111 439572374 /nfs/dbraw/zinc/57/23/74/439572374.db2.gz GOUHYQDRJQCSFU-UHFFFAOYSA-N 0 3 336.348 0.466 20 5 ECBDHN CCc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000584302983 439575288 /nfs/dbraw/zinc/57/52/88/439575288.db2.gz UITTWRHONBOWCQ-QWHCGFSZSA-N 0 3 332.360 0.541 20 5 ECBDHN CNc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599936803 439579362 /nfs/dbraw/zinc/57/93/62/439579362.db2.gz CANBKGUETCHHSZ-CHWSQXEVSA-N 0 3 334.376 0.918 20 5 ECBDHN COc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])c1 ZINC000595121245 439655754 /nfs/dbraw/zinc/65/57/54/439655754.db2.gz LZQBCBGMZHEYJQ-NXEZZACHSA-N 0 3 333.341 0.663 20 5 ECBDHN CN1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H](CN)C1 ZINC000162483568 320512143 /nfs/dbraw/zinc/51/21/43/320512143.db2.gz IFEBNNMRBRACQU-OAHLLOKOSA-N 0 3 344.375 0.495 20 5 ECBDHN CN1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000340378297 321037635 /nfs/dbraw/zinc/03/76/35/321037635.db2.gz QBGXONAKQIUAOM-TZMCWYRMSA-N 0 3 330.348 0.748 20 5 ECBDHN CC(C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000345557301 321193771 /nfs/dbraw/zinc/19/37/71/321193771.db2.gz GRRXJBLCDSIOCJ-UWVGGRQHSA-N 0 3 342.377 0.436 20 5 ECBDHN C[C@H](CN(C)C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000346144010 321215746 /nfs/dbraw/zinc/21/57/46/321215746.db2.gz UCNFVSGUXCFNSX-MNOVXSKESA-N 0 3 338.364 0.859 20 5 ECBDHN Cc1c(NC(=O)C(=O)NCCNc2ccncc2)cccc1[N+](=O)[O-] ZINC000347850225 321254255 /nfs/dbraw/zinc/25/42/55/321254255.db2.gz FXRJXQRSYDJNEM-UHFFFAOYSA-N 0 3 343.343 0.887 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1(CCO)CCN(C)CC1 ZINC000354144650 321447498 /nfs/dbraw/zinc/44/74/98/321447498.db2.gz UZLFWWGKAVHFIA-UHFFFAOYSA-N 0 3 325.369 0.063 20 5 ECBDHN N[C@H]1C[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)CCN2C1=O ZINC000568532498 322632089 /nfs/dbraw/zinc/63/20/89/322632089.db2.gz GYCFPJMJBURYTH-OCCSQVGLSA-N 0 3 327.344 0.891 20 5 ECBDHN CS(=O)(=O)NCCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569568119 322657436 /nfs/dbraw/zinc/65/74/36/322657436.db2.gz DZPVGMILLGVBNT-UHFFFAOYSA-N 0 3 330.366 0.062 20 5 ECBDHN Cc1cc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000574569008 322781439 /nfs/dbraw/zinc/78/14/39/322781439.db2.gz JEDHNXVETUDSPD-UHFFFAOYSA-N 0 3 331.336 0.683 20 5 ECBDHN Cc1c(C(=O)NC[C@@](C)(O)CN(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000152604368 533790560 /nfs/dbraw/zinc/79/05/60/533790560.db2.gz YLBVGSMQSCQKEK-CQSZACIVSA-N 0 3 340.336 0.854 20 5 ECBDHN CCN(CCO)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183943461 528545947 /nfs/dbraw/zinc/54/59/47/528545947.db2.gz HCBGQLYBZOXDTP-UHFFFAOYSA-N 0 3 348.359 0.480 20 5 ECBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000619500140 546335749 /nfs/dbraw/zinc/33/57/49/546335749.db2.gz LRLOLHFORCFJHM-PHIMTYICSA-N 0 3 341.389 0.786 20 5 ECBDHN C[NH+](C)C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736763551 578450551 /nfs/dbraw/zinc/45/05/51/578450551.db2.gz MHBFEHOCWAEELW-JTQLQIEISA-N 0 3 332.368 0.948 20 5 ECBDHN C[NH+](C)C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736763551 578450552 /nfs/dbraw/zinc/45/05/52/578450552.db2.gz MHBFEHOCWAEELW-JTQLQIEISA-N 0 3 332.368 0.948 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1CCS(=O)(=O)C1 ZINC000783910593 578747061 /nfs/dbraw/zinc/74/70/61/578747061.db2.gz HXJRJOSCFYKHHK-QWRGUYRKSA-N 0 3 330.362 0.111 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000762714745 579546686 /nfs/dbraw/zinc/54/66/86/579546686.db2.gz CWBMDXUNSWRRJL-HOCLYGCPSA-N 0 3 348.359 0.271 20 5 ECBDHN C[C@H](C[NH3+])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842762638 589035533 /nfs/dbraw/zinc/03/55/33/589035533.db2.gz PLYJNKTUHFIOTM-ZCFIWIBFSA-N 0 3 338.183 0.983 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000808173582 587147653 /nfs/dbraw/zinc/14/76/53/587147653.db2.gz BXQRDLOMTMOPIB-QMMMGPOBSA-N 0 3 325.350 0.252 20 5 ECBDHN CC(COC(=O)CN1C(=O)c2ccccc2S1(=O)=O)[N+](=O)[O-] ZINC000813102756 587248094 /nfs/dbraw/zinc/24/80/94/587248094.db2.gz USQNVXZWYMCUFC-MRVPVSSYSA-N 0 3 328.302 0.040 20 5 ECBDHN CC(COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[N+](=O)[O-] ZINC000813107351 587248350 /nfs/dbraw/zinc/24/83/50/587248350.db2.gz MGWWQFVQGSZQRM-QMMMGPOBSA-N 0 3 339.260 0.529 20 5 ECBDHN CC(COC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O)[N+](=O)[O-] ZINC000813115656 587248948 /nfs/dbraw/zinc/24/89/48/587248948.db2.gz XCZLQGBLLFVNPZ-MXWKQRLJSA-N 0 3 341.364 0.942 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@@H](O)C2CC2)cc1 ZINC000818975702 587462881 /nfs/dbraw/zinc/46/28/81/587462881.db2.gz LJJSDHJAVJTCHV-CYBMUJFWSA-N 0 3 329.378 0.234 20 5 ECBDHN CC(C)(CNC[C@H](O)c1cccc([N+](=O)[O-])c1)NS(C)(=O)=O ZINC000819045937 587465558 /nfs/dbraw/zinc/46/55/58/587465558.db2.gz LCHYRGFFXZSXGI-LBPRGKRZSA-N 0 3 331.394 0.546 20 5 ECBDHN CN(C)C(=O)[C@@H]1CC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819208881 587472160 /nfs/dbraw/zinc/47/21/60/587472160.db2.gz STDYKXLDBFULDE-ILXRZTDVSA-N 0 3 337.376 0.854 20 5 ECBDHN CN(C)CCN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000844760778 589119844 /nfs/dbraw/zinc/11/98/44/589119844.db2.gz VEXAGEWKCVWKFL-YVMONPNESA-N 0 3 346.387 0.840 20 5 ECBDHN Cc1cc(C(=O)N2CCN(CCN(C)C)C(=O)C2)c(N)c([N+](=O)[O-])c1 ZINC000846356257 589198284 /nfs/dbraw/zinc/19/82/84/589198284.db2.gz CUPMWOHSJCRUAW-UHFFFAOYSA-N 0 3 349.391 0.331 20 5 ECBDHN CN(C)CCN1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864608773 590088642 /nfs/dbraw/zinc/08/86/42/590088642.db2.gz MUZXDWFYYFEYSB-UHFFFAOYSA-N 0 3 338.383 0.982 20 5 ECBDHN COC(=O)[C@]12CN(CCn3c(C)ncc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000878541184 590527144 /nfs/dbraw/zinc/52/71/44/590527144.db2.gz NAYSSUREBJCHLG-SWLSCSKDSA-N 0 3 338.364 0.611 20 5 ECBDHN CN1CCC(N(CCO)C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000911936471 609923934 /nfs/dbraw/zinc/92/39/34/609923934.db2.gz ATJVZNQQBVAPMO-UHFFFAOYSA-N 0 3 337.376 0.889 20 5 ECBDHN CNC(=O)CN1CCCC12CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164683472 719698612 /nfs/dbraw/zinc/69/86/12/719698612.db2.gz KMYPKWQBTCLTKW-UHFFFAOYSA-N 0 3 349.391 0.409 20 5 ECBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)CC(N)=O)CC1 ZINC000985347605 747762776 /nfs/dbraw/zinc/76/27/76/747762776.db2.gz GFTBKJKMPANZKS-UHFFFAOYSA-N 0 3 334.376 0.893 20 5 ECBDHN CC(C)N(C)CC(=O)N(C)CCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001105415271 747979718 /nfs/dbraw/zinc/97/97/18/747979718.db2.gz KVWZNNKMLXBLKF-UHFFFAOYSA-N 0 3 339.400 0.202 20 5 ECBDHN CCn1ccnc1CN(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985432154 748000675 /nfs/dbraw/zinc/00/06/75/748000675.db2.gz WSTHJMIKAUBWGU-ZIAGYGMSSA-N 0 3 335.408 0.991 20 5 ECBDHN Cc1nnc(CN(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]1 ZINC001029964580 750114909 /nfs/dbraw/zinc/11/49/09/750114909.db2.gz PMKHXNILWDYUOD-CHWSQXEVSA-N 0 3 336.396 0.449 20 5 ECBDHN Cc1cc(C(=O)N2CCC(NCc3c([N+](=O)[O-])ncn3C)CC2)[nH]n1 ZINC000990085728 754705726 /nfs/dbraw/zinc/70/57/26/754705726.db2.gz VDYICAGRLXZBIQ-UHFFFAOYSA-N 0 3 347.379 0.754 20 5 ECBDHN Cc1cc(C(=O)N2CCC(NCc3c([N+](=O)[O-])ncn3C)CC2)n[nH]1 ZINC000990085728 754705730 /nfs/dbraw/zinc/70/57/30/754705730.db2.gz VDYICAGRLXZBIQ-UHFFFAOYSA-N 0 3 347.379 0.754 20 5 ECBDHN Cc1ncc(C(=O)N[C@H]2C[C@H](CNCc3c([N+](=O)[O-])ncn3C)C2)[nH]1 ZINC000983323280 755209523 /nfs/dbraw/zinc/20/95/23/755209523.db2.gz RDIJEBAWZNOYDG-XYPYZODXSA-N 0 3 347.379 0.658 20 5 ECBDHN COc1cc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@H]3C2)on1 ZINC001048814539 757082788 /nfs/dbraw/zinc/08/27/88/757082788.db2.gz QUMSBEAITNWUAP-LYIQGSDWSA-N 0 3 336.348 0.239 20 5 ECBDHN COCCn1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)nn1 ZINC001127027360 759581154 /nfs/dbraw/zinc/58/11/54/759581154.db2.gz PFUBAGYFXQRTLC-UHFFFAOYSA-N 0 3 348.363 0.352 20 5 ECBDHN CCN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CN1CCCC1 ZINC001106777450 768936486 /nfs/dbraw/zinc/93/64/86/768936486.db2.gz VODDEKBCYGYVMU-UHFFFAOYSA-N 0 3 337.384 0.323 20 5 ECBDHN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)c2ccn[nH]2)CC1 ZINC001069196422 789648968 /nfs/dbraw/zinc/64/89/68/789648968.db2.gz HJPRTCWKWIDDKX-ZYHUDNBSSA-N 0 3 335.364 0.576 20 5 ECBDHN CN(CCN(C)C1CC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000186768914 529901847 /nfs/dbraw/zinc/90/18/47/529901847.db2.gz YOAJTEDYNSSKHX-UHFFFAOYSA-N 0 3 334.376 0.877 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154303536 530061557 /nfs/dbraw/zinc/06/15/57/530061557.db2.gz IJWDUXGSEFBIIQ-HNNXBMFYSA-N 0 3 346.387 0.973 20 5 ECBDHN NC[C@@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000420066162 209295830 /nfs/dbraw/zinc/29/58/30/209295830.db2.gz QQHYTXTXRJHBSP-OAHLLOKOSA-N 0 3 346.387 0.939 20 5 ECBDHN C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@H](C)CN1 ZINC000356366617 299381616 /nfs/dbraw/zinc/38/16/16/299381616.db2.gz LIVMYAFTUQFNHI-GHMZBOCLSA-N 0 3 348.359 0.529 20 5 ECBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000356366638 299381710 /nfs/dbraw/zinc/38/17/10/299381710.db2.gz LIVMYAFTUQFNHI-WDEREUQCSA-N 0 3 348.359 0.529 20 5 ECBDHN COCCN(CCN(C)C)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000264241020 246228768 /nfs/dbraw/zinc/22/87/68/246228768.db2.gz ZZTJKDOTCZYRPA-UHFFFAOYSA-N 0 3 327.385 0.526 20 5 ECBDHN Cc1nc(Sc2nnnn2C[C@@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC000450396702 211323177 /nfs/dbraw/zinc/32/31/77/211323177.db2.gz UDQRQIYIMHDAEV-SECBINFHSA-N 0 3 336.381 0.783 20 5 ECBDHN COc1cccc(C(=O)NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000443919124 211044040 /nfs/dbraw/zinc/04/40/40/211044040.db2.gz SZBNYGYYDQTAQE-UHFFFAOYSA-N 0 3 336.392 0.971 20 5 ECBDHN CO[C@H](C)[C@@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268801252 252256025 /nfs/dbraw/zinc/25/60/25/252256025.db2.gz GGBVXPFMAHKNKO-GHMZBOCLSA-N 0 3 331.394 0.886 20 5 ECBDHN CN1CC[C@@H]2CN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000411044442 208058211 /nfs/dbraw/zinc/05/82/11/208058211.db2.gz QBGLXKLLJPFVJC-MFKMUULPSA-N 0 3 346.343 0.665 20 5 ECBDHN CN(C)C(=O)[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411950816 208178114 /nfs/dbraw/zinc/17/81/14/208178114.db2.gz WRJLERQURDSRFL-TZMCWYRMSA-N 0 3 337.376 0.745 20 5 ECBDHN CN1CCC(CNc2ncc([N+](=O)[O-])cn2)(N2CCOCC2)CC1 ZINC000413478885 208333162 /nfs/dbraw/zinc/33/31/62/208333162.db2.gz JDEHGMMBWUSFED-UHFFFAOYSA-N 0 3 336.396 0.593 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000192727050 165045074 /nfs/dbraw/zinc/04/50/74/165045074.db2.gz CBUALPFVRINPBI-UHFFFAOYSA-N 0 3 334.376 0.797 20 5 ECBDHN COCCNCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000262386950 165341693 /nfs/dbraw/zinc/34/16/93/165341693.db2.gz ZIQKKNMPRJDQJP-UHFFFAOYSA-N 0 3 333.366 0.118 20 5 ECBDHN CNC(=O)[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000183661199 263157695 /nfs/dbraw/zinc/15/76/95/263157695.db2.gz CDGBGHQFMLXNGK-OCCSQVGLSA-N 0 3 325.365 0.695 20 5 ECBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000284503813 264220539 /nfs/dbraw/zinc/22/05/39/264220539.db2.gz VFEMCKYVHYDSGB-SNVBAGLBSA-N 0 3 340.355 0.893 20 5 ECBDHN CN(C)C(=O)C1(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000295218352 265054208 /nfs/dbraw/zinc/05/42/08/265054208.db2.gz XMDQMWXFERBZLC-ZDUSSCGKSA-N 0 3 339.396 0.533 20 5 ECBDHN NC1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000296941611 265127183 /nfs/dbraw/zinc/12/71/83/265127183.db2.gz STVHJOCXOJPMOR-UHFFFAOYSA-N 0 3 332.360 0.761 20 5 ECBDHN Cc1nc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)ncc1[N+](=O)[O-] ZINC000297398178 265145341 /nfs/dbraw/zinc/14/53/41/265145341.db2.gz FOIOWXPHDYAVMU-GFCCVEGCSA-N 0 3 334.380 0.436 20 5 ECBDHN C[C@@H](CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])N(C)C ZINC000298355827 265244025 /nfs/dbraw/zinc/24/40/25/265244025.db2.gz OKBLZHVRQRJBAY-VIFPVBQESA-N 0 3 340.405 0.852 20 5 ECBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000354354095 437594477 /nfs/dbraw/zinc/59/44/77/437594477.db2.gz RRECFNUFYVJFOI-LBPRGKRZSA-N 0 3 338.364 0.134 20 5 ECBDHN CCS(=O)(=O)N1CC(CNCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000190292090 437621923 /nfs/dbraw/zinc/62/19/23/437621923.db2.gz KDGGVYKIINKIKQ-UHFFFAOYSA-N 0 3 343.405 0.975 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339763214 297381008 /nfs/dbraw/zinc/38/10/08/297381008.db2.gz ZFXXAJSSTWOHCN-CVEARBPZSA-N 0 3 337.376 0.666 20 5 ECBDHN C[C@H]1[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCCN1C ZINC000344603116 298041380 /nfs/dbraw/zinc/04/13/80/298041380.db2.gz QBVHEKOYAXAONF-SMDDNHRTSA-N 0 3 334.376 0.924 20 5 ECBDHN CN1CCN(CCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000071862993 436017818 /nfs/dbraw/zinc/01/78/18/436017818.db2.gz KDMRSQTXNYJHTA-UHFFFAOYSA-N 0 3 346.391 0.838 20 5 ECBDHN C[C@H](CO)N1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000375503102 301181319 /nfs/dbraw/zinc/18/13/19/301181319.db2.gz ZCPGWLRHKVQLEK-GFCCVEGCSA-N 0 3 336.392 0.582 20 5 ECBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000519000589 301733203 /nfs/dbraw/zinc/73/32/03/301733203.db2.gz FUYLJFSWYTXGFO-HONMWMINSA-N 0 3 347.375 0.166 20 5 ECBDHN CN(C)CCOCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000539750748 302171607 /nfs/dbraw/zinc/17/16/07/302171607.db2.gz OTNQWJLBZUWCBY-UHFFFAOYSA-N 0 3 348.363 0.484 20 5 ECBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114645124 436642510 /nfs/dbraw/zinc/64/25/10/436642510.db2.gz HOTMBWSYVFAMME-CQSZACIVSA-N 0 3 344.375 0.967 20 5 ECBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000119613621 436668686 /nfs/dbraw/zinc/66/86/86/436668686.db2.gz SBAJHXZYUIKCQX-NSHDSACASA-N 0 3 325.369 0.511 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000152454304 436731156 /nfs/dbraw/zinc/73/11/56/436731156.db2.gz QVRVGIOQGAPZAI-LLVKDONJSA-N 0 3 336.348 0.566 20 5 ECBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)Cn3cccn3)C2)nc1 ZINC000245431753 436762707 /nfs/dbraw/zinc/76/27/07/436762707.db2.gz AXSFKCUTNSSZGP-TZMCWYRMSA-N 0 3 332.364 0.734 20 5 ECBDHN CCC[C@@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262092537 436908002 /nfs/dbraw/zinc/90/80/02/436908002.db2.gz ARDVDGQNLGZQNU-GFCCVEGCSA-N 0 3 344.393 0.117 20 5 ECBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCN(C2CCCC2)C1 ZINC000331611590 437130513 /nfs/dbraw/zinc/13/05/13/437130513.db2.gz RRKYDUOFCCENLQ-LBPRGKRZSA-N 0 3 334.376 0.890 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-]CC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000314970128 437177995 /nfs/dbraw/zinc/17/79/95/437177995.db2.gz PHWBXAIZNYMLLW-UHFFFAOYSA-N 0 3 329.378 0.881 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](CO)CN1CCCCC1 ZINC000288417536 437320361 /nfs/dbraw/zinc/32/03/61/437320361.db2.gz GXYSLZLTSUZFOB-ZDUSSCGKSA-N 0 3 337.376 0.937 20 5 ECBDHN CC(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)S(C)(=O)=O ZINC000278257721 437296801 /nfs/dbraw/zinc/29/68/01/437296801.db2.gz XVIJFSSUEBACPK-ZETCQYMHSA-N 0 3 326.334 0.520 20 5 ECBDHN CN(C)CCN(C)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288456016 437325197 /nfs/dbraw/zinc/32/51/97/437325197.db2.gz LZBGRKFJJXRWJD-UHFFFAOYSA-N 0 3 348.363 0.107 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H](CO)CN1CCCCC1 ZINC000288571151 437335575 /nfs/dbraw/zinc/33/55/75/437335575.db2.gz QVLXVBBTMLUPTP-ZDUSSCGKSA-N 0 3 336.392 0.970 20 5 ECBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279513934 437419000 /nfs/dbraw/zinc/41/90/00/437419000.db2.gz UQBBLKVGUZFLBV-UHFFFAOYSA-N 0 3 328.344 0.966 20 5 ECBDHN COc1cc(CCNC(=O)[C@H](CN)OC)c([N+](=O)[O-])cc1OC ZINC000289715111 437436416 /nfs/dbraw/zinc/43/64/16/437436416.db2.gz UMHWLENEZWDGDR-ZDUSSCGKSA-N 0 3 327.337 0.244 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-][C@@H](C)C[NH+](CC)CC)c([N+](=O)[O-])n1 ZINC000360012737 437503734 /nfs/dbraw/zinc/50/37/34/437503734.db2.gz WCAWJNJBLJGGPI-JTQLQIEISA-N 0 3 333.414 0.820 20 5 ECBDHN COc1cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000192922252 437697506 /nfs/dbraw/zinc/69/75/06/437697506.db2.gz MUJKKRLKRSHQNQ-PHIMTYICSA-N 0 3 341.389 0.786 20 5 ECBDHN CN(C)CCOc1cnccc1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000356452724 437766385 /nfs/dbraw/zinc/76/63/85/437766385.db2.gz BEWWVWZXHUEHGA-UHFFFAOYSA-N 0 3 334.336 0.583 20 5 ECBDHN COCCNCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415533932 437815763 /nfs/dbraw/zinc/81/57/63/437815763.db2.gz AKIJFQWQOYQLST-UHFFFAOYSA-N 0 3 344.755 0.539 20 5 ECBDHN O=C(NC[C@@H]1CNCCO1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000423986939 437870943 /nfs/dbraw/zinc/87/09/43/437870943.db2.gz GWCYWVOBIJQRDW-AWEZNQCLSA-N 0 3 331.332 0.499 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2[C@@H](CO)CC[C@H]2CO)c1 ZINC000347276896 437865647 /nfs/dbraw/zinc/86/56/47/437865647.db2.gz OGYNNQXMHYZWMR-MJBXVCDLSA-N 0 3 326.349 0.152 20 5 ECBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000371502097 437945544 /nfs/dbraw/zinc/94/55/44/437945544.db2.gz ZSLQVIPIEYFMRJ-RYUDHWBXSA-N 0 3 349.343 0.917 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000372054927 438028683 /nfs/dbraw/zinc/02/86/83/438028683.db2.gz IIJSISUNMWYBHG-AWEZNQCLSA-N 0 3 347.375 0.368 20 5 ECBDHN CCCc1[nH]nc(C(=O)Nc2ccn(CCN(C)C)n2)c1[N+](=O)[O-] ZINC000348679038 438085515 /nfs/dbraw/zinc/08/55/15/438085515.db2.gz YUXLEGGNUIWIPW-UHFFFAOYSA-N 0 3 335.368 1.281 20 5 ECBDHN COc1cc(C(=O)NCCOCCN(C)C)c([N+](=O)[O-])cc1OC ZINC000349723515 438173384 /nfs/dbraw/zinc/17/33/84/438173384.db2.gz ORZITKNTAATBDO-UHFFFAOYSA-N 0 3 341.364 0.920 20 5 ECBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418869185 438229180 /nfs/dbraw/zinc/22/91/80/438229180.db2.gz OPIVZYUQXGTNLU-ZDUSSCGKSA-N 0 3 336.392 0.743 20 5 ECBDHN CCCC[C@@H](CN)NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418926226 438250584 /nfs/dbraw/zinc/25/05/84/438250584.db2.gz UEPMEPREOIGMQC-ZDUSSCGKSA-N 0 3 336.392 0.887 20 5 ECBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1C[NH2+]CCCO1 ZINC000390239014 438432483 /nfs/dbraw/zinc/43/24/83/438432483.db2.gz RCEHDOWWUIKSRM-SNVBAGLBSA-N 0 3 349.796 0.905 20 5 ECBDHN CN(CCCCCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421008238 438459043 /nfs/dbraw/zinc/45/90/43/438459043.db2.gz IAUYVSSIQUYWOY-UHFFFAOYSA-N 0 3 345.421 0.968 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000493111001 438605587 /nfs/dbraw/zinc/60/55/87/438605587.db2.gz AZJSMRDOZNCGDV-NTQVKLLNSA-N 0 3 330.344 0.378 20 5 ECBDHN C[C@@H]1[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000494029170 438666778 /nfs/dbraw/zinc/66/67/78/438666778.db2.gz VGWLREWDSUZQHB-OCCSQVGLSA-N 0 3 344.375 0.966 20 5 ECBDHN CCN1CCN(CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548386797 438727931 /nfs/dbraw/zinc/72/79/31/438727931.db2.gz IRFAZBZVQODENH-UHFFFAOYSA-N 0 3 336.396 0.329 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](CO)Cc1cccnc1 ZINC000575312467 438744618 /nfs/dbraw/zinc/74/46/18/438744618.db2.gz SONSCNTXGMPEQV-GJZGRUSLSA-N 0 3 347.371 0.923 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588863006 438846397 /nfs/dbraw/zinc/84/63/97/438846397.db2.gz NUMSCPMEDZWRNJ-CHWSQXEVSA-N 0 3 337.380 0.157 20 5 ECBDHN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)NCCN(C)C ZINC000588874008 438846421 /nfs/dbraw/zinc/84/64/21/438846421.db2.gz YLVNJSRBKAIEIB-SNVBAGLBSA-N 0 3 347.375 0.872 20 5 ECBDHN COc1ccc(CC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000595948941 438895769 /nfs/dbraw/zinc/89/57/69/438895769.db2.gz UBRQWUDMANIBCM-UHFFFAOYSA-N 0 3 347.331 0.417 20 5 ECBDHN CN(C)CCCS(=O)(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000601401277 438876261 /nfs/dbraw/zinc/87/62/61/438876261.db2.gz KZJUARWEOGYTET-UHFFFAOYSA-N 0 3 343.405 0.939 20 5 ECBDHN NC(=O)c1cc(N2CCN(C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596152305 438933419 /nfs/dbraw/zinc/93/34/19/438933419.db2.gz OVQJTGUWBACYGR-GFCCVEGCSA-N 0 3 334.376 0.852 20 5 ECBDHN CC1(C)CNCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000591678163 439059853 /nfs/dbraw/zinc/05/98/53/439059853.db2.gz LNFBTHRWHUEPLG-UHFFFAOYSA-N 0 3 348.359 0.531 20 5 ECBDHN COC(=O)c1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000566491249 439061880 /nfs/dbraw/zinc/06/18/80/439061880.db2.gz SVKBNMSFDFKGIC-YPMHNXCESA-N 0 3 348.359 0.438 20 5 ECBDHN CC(C)N1CCN([C@H]2CCN(Cc3cn(C)nc3[N+](=O)[O-])C2)CC1 ZINC000602487368 439099130 /nfs/dbraw/zinc/09/91/30/439099130.db2.gz XCUVIXOLTSUTLU-HNNXBMFYSA-N 0 3 336.440 0.929 20 5 ECBDHN CC(C)(C(=O)NC[C@@]1(O)CN2CCC1CC2)n1cc([N+](=O)[O-])cn1 ZINC000519832107 439066852 /nfs/dbraw/zinc/06/68/52/439066852.db2.gz FWBSVOTWYPWFOC-OAHLLOKOSA-N 0 3 337.380 0.099 20 5 ECBDHN CN1CCC[C@@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897496 439323273 /nfs/dbraw/zinc/32/32/73/439323273.db2.gz FPSNHMCVPLIPNU-CYBMUJFWSA-N 0 3 335.364 0.927 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000592874593 439294054 /nfs/dbraw/zinc/29/40/54/439294054.db2.gz TZLWVKGNDUSGEY-JTQLQIEISA-N 0 3 338.339 0.926 20 5 ECBDHN N[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000598667582 439300496 /nfs/dbraw/zinc/30/04/96/439300496.db2.gz GHTZBPJTXDMNBU-VXGBXAGGSA-N 0 3 339.327 0.614 20 5 ECBDHN CN1CCC[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000604198265 439300833 /nfs/dbraw/zinc/30/08/33/439300833.db2.gz FAGBOLFZGAGMPH-CYBMUJFWSA-N 0 3 334.376 0.925 20 5 ECBDHN COCCNCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598715072 439306424 /nfs/dbraw/zinc/30/64/24/439306424.db2.gz MIYQHWZORNELCM-UHFFFAOYSA-N 0 3 331.394 0.726 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([NH3+])CCOCC2)c1C ZINC000599103332 439357331 /nfs/dbraw/zinc/35/73/31/439357331.db2.gz RKMGVVHRUWNTKN-UHFFFAOYSA-N 0 3 343.405 0.998 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)n1 ZINC000599312908 439427648 /nfs/dbraw/zinc/42/76/48/439427648.db2.gz YTOSRNHGTFVQRY-LBPRGKRZSA-N 0 3 329.382 0.045 20 5 ECBDHN N[C@@H]1C[C@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)CCN2C1=O ZINC000583575997 439483838 /nfs/dbraw/zinc/48/38/38/439483838.db2.gz YWYJFIQRPASGNG-QWHCGFSZSA-N 0 3 327.344 0.891 20 5 ECBDHN CCC(C)(C)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000594020836 439505731 /nfs/dbraw/zinc/50/57/31/439505731.db2.gz MICCDECLVVOMMT-AWEZNQCLSA-N 0 3 325.413 0.958 20 5 ECBDHN NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](N2CCCC2)C1 ZINC000608909220 439548207 /nfs/dbraw/zinc/54/82/07/439548207.db2.gz CAGVGWFBMXZNIQ-LLVKDONJSA-N 0 3 340.405 0.917 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])CCN2C1=O ZINC000594702800 439593094 /nfs/dbraw/zinc/59/30/94/439593094.db2.gz ZVIIOAJUZJTIFO-ZYHUDNBSSA-N 0 3 327.344 0.891 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(N2CCCOCC2)CC1 ZINC000600007635 439593413 /nfs/dbraw/zinc/59/34/13/439593413.db2.gz WOBUIVFRXLJJAO-UHFFFAOYSA-N 0 3 337.380 0.505 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)C[C@H](O)C1 ZINC000610614845 439631345 /nfs/dbraw/zinc/63/13/45/439631345.db2.gz SLKSMIHAPXCULA-TXEJJXNPSA-N 0 3 339.348 0.360 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000573578963 439653711 /nfs/dbraw/zinc/65/37/11/439653711.db2.gz JXDFVEVOUMEBGD-RYUDHWBXSA-N 0 3 333.348 0.679 20 5 ECBDHN Cc1cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c(C)cc1[N+](=O)[O-] ZINC000573743911 439664055 /nfs/dbraw/zinc/66/40/55/439664055.db2.gz VORSCNYXKMRDRA-LBPRGKRZSA-N 0 3 342.421 0.475 20 5 ECBDHN C[C@@H]1[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000600756637 439698761 /nfs/dbraw/zinc/69/87/61/439698761.db2.gz NJCMIUSEAMJWMQ-GRYCIOLGSA-N 0 3 344.389 0.500 20 5 ECBDHN CN1CC[NH+](CCCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000574751222 439725440 /nfs/dbraw/zinc/72/54/40/439725440.db2.gz OEBAXHJVRXKSSI-UHFFFAOYSA-N 0 3 337.380 0.453 20 5 ECBDHN CN(C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)ccc1=O ZINC000339530790 320985260 /nfs/dbraw/zinc/98/52/60/320985260.db2.gz LRBRXHFTQQTMHI-UHFFFAOYSA-N 0 3 333.348 0.909 20 5 ECBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1 ZINC000346164743 321217257 /nfs/dbraw/zinc/21/72/57/321217257.db2.gz QAWIUHAFRMWNSM-GZBFAFLISA-N 0 3 348.403 0.945 20 5 ECBDHN Cc1nn(CCC(=O)NC[C@@](C)(O)CCN(C)C)c(C)c1[N+](=O)[O-] ZINC000352125559 321350125 /nfs/dbraw/zinc/35/01/25/321350125.db2.gz JBLRHHQRZSTFIC-HNNXBMFYSA-N 0 3 341.412 0.617 20 5 ECBDHN CN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000546082088 322115054 /nfs/dbraw/zinc/11/50/54/322115054.db2.gz OQRXYGNNTKHJQN-UHFFFAOYSA-N 0 3 336.396 0.329 20 5 ECBDHN C[C@H](CN1CCCC1=O)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000555338751 322179454 /nfs/dbraw/zinc/17/94/54/322179454.db2.gz MUBWIAFVVFGICU-TZMCWYRMSA-N 0 3 337.376 0.935 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCN1CCNC(=O)C1 ZINC000563418654 322316700 /nfs/dbraw/zinc/31/67/00/322316700.db2.gz RDHYAKJZGMRFGP-UHFFFAOYSA-N 0 3 336.392 0.905 20 5 ECBDHN Cc1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000569710154 322662583 /nfs/dbraw/zinc/66/25/83/322662583.db2.gz OOYSFTSGKQEJKW-NEPJUHHUSA-N 0 3 333.348 0.679 20 5 ECBDHN Cc1c(CC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000572735845 322750344 /nfs/dbraw/zinc/75/03/44/322750344.db2.gz FWVVGDGEVXOHIQ-CHWSQXEVSA-N 0 3 332.360 0.216 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCC2(O)CCCC2)cc1 ZINC000574982576 322788563 /nfs/dbraw/zinc/78/85/63/322788563.db2.gz CKZRYWJYKXFZGI-UHFFFAOYSA-N 0 3 343.405 0.768 20 5 ECBDHN CCOc1cc(C(=O)NC[C@H]2CNCCO2)c([N+](=O)[O-])cc1OC ZINC000577721508 322843911 /nfs/dbraw/zinc/84/39/11/322843911.db2.gz MIJAHRFUIQFVFG-SNVBAGLBSA-N 0 3 339.348 0.720 20 5 ECBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000579589836 322901400 /nfs/dbraw/zinc/90/14/00/322901400.db2.gz RQXVMBHBOBKRPX-YWPYICTPSA-N 0 3 337.380 0.440 20 5 ECBDHN CCN(CCO)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000183944547 528550625 /nfs/dbraw/zinc/55/06/25/528550625.db2.gz ZARUHGRHAXWVMV-UHFFFAOYSA-N 0 3 348.363 0.220 20 5 ECBDHN C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCOCC1 ZINC000736755689 578449589 /nfs/dbraw/zinc/44/95/89/578449589.db2.gz DCWYRSJBJLUKCZ-UHFFFAOYSA-N 0 3 348.367 0.693 20 5 ECBDHN C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCOCC1 ZINC000736755689 578449590 /nfs/dbraw/zinc/44/95/90/578449590.db2.gz DCWYRSJBJLUKCZ-UHFFFAOYSA-N 0 3 348.367 0.693 20 5 ECBDHN C[C@@H](OC(=O)C1CCN(C)C1=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000772505196 579208626 /nfs/dbraw/zinc/20/86/26/579208626.db2.gz BKZMNFRARPDYSY-ZJUUUORDSA-N 0 3 335.316 0.943 20 5 ECBDHN O=[N+]([O-])c1cnc(NCCC[NH+]2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000738374627 579624990 /nfs/dbraw/zinc/62/49/90/579624990.db2.gz RBLIYVDGVHAOFI-UHFFFAOYSA-N 0 3 348.367 0.429 20 5 ECBDHN O=[N+]([O-])c1cnc(NCCC[NH+]2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000738374627 579624991 /nfs/dbraw/zinc/62/49/91/579624991.db2.gz RBLIYVDGVHAOFI-UHFFFAOYSA-N 0 3 348.367 0.429 20 5 ECBDHN C[C@@H](CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000836622835 588932754 /nfs/dbraw/zinc/93/27/54/588932754.db2.gz HJDFNNNQHYRJHN-ZLKJLUDKSA-N 0 3 340.380 0.238 20 5 ECBDHN O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCNCC1 ZINC000843356456 589063511 /nfs/dbraw/zinc/06/35/11/589063511.db2.gz QSNAWHUKOSTUGL-UHFFFAOYSA-N 0 3 347.419 0.539 20 5 ECBDHN Cc1cc(C(=O)N2CC(CN3CCN(C)CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000816752191 587323290 /nfs/dbraw/zinc/32/32/90/587323290.db2.gz SWPBQBXJDATLLV-UHFFFAOYSA-N 0 3 347.419 0.805 20 5 ECBDHN Cn1cc([C@@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@H]2N)cn1 ZINC000818290641 587420926 /nfs/dbraw/zinc/42/09/26/587420926.db2.gz BVZDHLZVMCOWJW-WCQYABFASA-N 0 3 330.348 0.477 20 5 ECBDHN COCc1nc2n(n1)C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000819152945 587470230 /nfs/dbraw/zinc/47/02/30/587470230.db2.gz FOLMQZISURMLQU-TZMCWYRMSA-N 0 3 347.375 0.971 20 5 ECBDHN CC[C@@H](CNS(C)(=O)=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819343609 587477043 /nfs/dbraw/zinc/47/70/43/587477043.db2.gz OEKHRWJKWOCZIL-AAEUAGOBSA-N 0 3 331.394 0.546 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000819822463 587492393 /nfs/dbraw/zinc/49/23/93/587492393.db2.gz BLKMYNNLCIUZIT-GFCCVEGCSA-N 0 3 336.392 0.847 20 5 ECBDHN CN(C)CCN1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000844715168 589117910 /nfs/dbraw/zinc/11/79/10/589117910.db2.gz UTPCWTGTTNPABW-UHFFFAOYSA-N 0 3 346.391 0.608 20 5 ECBDHN COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C2CCN(C)C2=O)c1 ZINC000845151083 589134476 /nfs/dbraw/zinc/13/44/76/589134476.db2.gz WLZHPFGGCFEHQF-NSHDSACASA-N 0 3 336.300 0.903 20 5 ECBDHN NC[C@H]1CC(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)=NO1 ZINC000852802454 589512810 /nfs/dbraw/zinc/51/28/10/589512810.db2.gz JNPMEPKZBBFJRI-LLVKDONJSA-N 0 3 333.348 0.347 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000853834044 589561353 /nfs/dbraw/zinc/56/13/53/589561353.db2.gz RPDCSPJPAJSSNU-UHFFFAOYSA-N 0 3 339.352 0.959 20 5 ECBDHN Cc1c(C(=O)N[C@H](CO)CN(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000854466778 589588053 /nfs/dbraw/zinc/58/80/53/589588053.db2.gz KKVVCYQMGCKPQK-JTQLQIEISA-N 0 3 340.336 0.772 20 5 ECBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856097573 589654235 /nfs/dbraw/zinc/65/42/35/589654235.db2.gz CNIDVXGZCCXDPZ-HOTGVXAUSA-N 0 3 349.387 0.998 20 5 ECBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000868343992 589894399 /nfs/dbraw/zinc/89/43/99/589894399.db2.gz MRCBWAWTHIPRRJ-OLZOCXBDSA-N 0 3 337.351 0.944 20 5 ECBDHN COC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCOC1 ZINC000886914239 590905845 /nfs/dbraw/zinc/90/58/45/590905845.db2.gz SYLUZZOJIYTNFM-JSGCOSHPSA-N 0 3 325.365 0.788 20 5 ECBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC000953928492 612456894 /nfs/dbraw/zinc/45/68/94/612456894.db2.gz FGRJOXHTVPOVDN-ZIAGYGMSSA-N 0 3 349.391 0.457 20 5 ECBDHN Cn1ccc(C(=O)N2CCC(NCc3c([N+](=O)[O-])ncn3C)CC2)n1 ZINC000997302468 743464677 /nfs/dbraw/zinc/46/46/77/743464677.db2.gz MPZGLNUEBWWDAE-UHFFFAOYSA-N 0 3 347.379 0.456 20 5 ECBDHN Cc1nccnc1CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981764226 751074996 /nfs/dbraw/zinc/07/49/96/751074996.db2.gz PXVABTQZTXDJCT-UKRRQHHQSA-N 0 3 345.403 0.875 20 5 ECBDHN Cn1ncc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)c1N ZINC001021996735 758146286 /nfs/dbraw/zinc/14/62/86/758146286.db2.gz JDURSYRYJWXBPO-TXEJJXNPSA-N 0 3 344.375 0.961 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)COc1cccnc1 ZINC001168442769 766638151 /nfs/dbraw/zinc/63/81/51/766638151.db2.gz YUEHDBAVVPNTNB-UHFFFAOYSA-N 0 3 348.363 0.398 20 5 ECBDHN CC(C)Cn1ncnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139323 772206266 /nfs/dbraw/zinc/20/62/66/772206266.db2.gz XKKXIUVBBORJCJ-FDYHWXHSSA-N 0 3 336.396 0.336 20 5 ECBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000355336093 299241005 /nfs/dbraw/zinc/24/10/05/299241005.db2.gz KDVHNAIJGDKEPH-CQSZACIVSA-N 0 3 339.396 0.751 20 5 ECBDHN C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000187144352 236129432 /nfs/dbraw/zinc/12/94/32/236129432.db2.gz JRDCYQBYSPAGAW-LLVKDONJSA-N 0 3 337.380 0.309 20 5 ECBDHN Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000420474592 209374635 /nfs/dbraw/zinc/37/46/35/209374635.db2.gz FWAHMDGURYCYCA-NSHDSACASA-N 0 3 329.378 0.478 20 5 ECBDHN NC[C@@H](NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000420063493 209294270 /nfs/dbraw/zinc/29/42/70/209294270.db2.gz NKOHNHSSBIEWPI-CQSZACIVSA-N 0 3 332.360 0.333 20 5 ECBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O)C1CC1 ZINC000312731840 201065830 /nfs/dbraw/zinc/06/58/30/201065830.db2.gz STEBHRJFYJLKQN-JTQLQIEISA-N 0 3 346.181 0.974 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262723905 245145607 /nfs/dbraw/zinc/14/56/07/245145607.db2.gz GLVFYOKAACXMDC-SRVKXCTJSA-N 0 3 334.376 0.922 20 5 ECBDHN Cn1cc([C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]2CO)cn1 ZINC000444745787 211096305 /nfs/dbraw/zinc/09/63/05/211096305.db2.gz ATXCOSSURARRMA-ZFWWWQNUSA-N 0 3 347.375 0.198 20 5 ECBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCNCC1 ZINC000419361983 209069735 /nfs/dbraw/zinc/06/97/35/209069735.db2.gz XVDDBRITKGRJTP-UHFFFAOYSA-N 0 3 348.403 0.856 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCNCc1cccnc1 ZINC000237576226 263173992 /nfs/dbraw/zinc/17/39/92/263173992.db2.gz VIVUEDYLGWQBAE-UHFFFAOYSA-N 0 3 332.364 0.791 20 5 ECBDHN C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000269646168 263194629 /nfs/dbraw/zinc/19/46/29/263194629.db2.gz SNXCONJBDQHCQX-OLZOCXBDSA-N 0 3 336.392 0.993 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000269885220 263210673 /nfs/dbraw/zinc/21/06/73/263210673.db2.gz JKGXCSIWPFTASY-HNNXBMFYSA-N 0 3 338.364 0.271 20 5 ECBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286093469 264369766 /nfs/dbraw/zinc/36/97/66/264369766.db2.gz SXMPAEZYRGTOAN-HIFRSBDPSA-N 0 3 336.392 0.552 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CO)CN1CCCCC1 ZINC000288410605 264526584 /nfs/dbraw/zinc/52/65/84/264526584.db2.gz GQOQTJACSMYLDS-GFCCVEGCSA-N 0 3 325.369 0.063 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCO)CCCO ZINC000299203665 265348583 /nfs/dbraw/zinc/34/85/83/265348583.db2.gz GNRQAIPNFUSQCF-UHFFFAOYSA-N 0 3 341.364 0.609 20 5 ECBDHN C[C@H](CN(C)C)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000346168607 298232256 /nfs/dbraw/zinc/23/22/56/298232256.db2.gz UCDCPUVUWZXGID-SECBINFHSA-N 0 3 340.405 0.852 20 5 ECBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCCC2)C1 ZINC000072089580 436033433 /nfs/dbraw/zinc/03/34/33/436033433.db2.gz COWOJEQSOMUQMZ-LBPRGKRZSA-N 0 3 340.405 0.917 20 5 ECBDHN CN(C)CCN(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000081865272 436360488 /nfs/dbraw/zinc/36/04/88/436360488.db2.gz SJEZXFZFNPACLR-UHFFFAOYSA-N 0 3 342.783 0.998 20 5 ECBDHN CC(C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)S(C)(=O)=O ZINC000049679286 436470092 /nfs/dbraw/zinc/47/00/92/436470092.db2.gz ZSKJKAJZSPXKOM-SNVBAGLBSA-N 0 3 342.377 0.072 20 5 ECBDHN CC(=O)NC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000050991300 436479934 /nfs/dbraw/zinc/47/99/34/436479934.db2.gz QENYFLHMTCDWPQ-OAHLLOKOSA-N 0 3 337.376 0.935 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1O ZINC000552155502 302386135 /nfs/dbraw/zinc/38/61/35/302386135.db2.gz YNOZSBQRHOSYEU-KBPBESRZSA-N 0 3 330.344 0.890 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1C ZINC000120787496 436698634 /nfs/dbraw/zinc/69/86/34/436698634.db2.gz ZXXFZXVWZGNVMJ-LBPRGKRZSA-N 0 3 342.421 0.475 20 5 ECBDHN CN(C)[C@@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000152521832 436733862 /nfs/dbraw/zinc/73/38/62/436733862.db2.gz NLEFJRVITPEHPH-LLVKDONJSA-N 0 3 342.421 0.985 20 5 ECBDHN COC[C@@](C)(CCO)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273282927 436743250 /nfs/dbraw/zinc/74/32/50/436743250.db2.gz DMJGBRPAMCLXCU-SWLSCSKDSA-N 0 3 328.365 0.712 20 5 ECBDHN CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000263653200 436972596 /nfs/dbraw/zinc/97/25/96/436972596.db2.gz FEBXLRXLISICKD-LBPRGKRZSA-N 0 3 337.380 0.595 20 5 ECBDHN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000263653200 436972599 /nfs/dbraw/zinc/97/25/99/436972599.db2.gz FEBXLRXLISICKD-LBPRGKRZSA-N 0 3 337.380 0.595 20 5 ECBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000263653200 436972600 /nfs/dbraw/zinc/97/26/00/436972600.db2.gz FEBXLRXLISICKD-LBPRGKRZSA-N 0 3 337.380 0.595 20 5 ECBDHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000294269550 436946181 /nfs/dbraw/zinc/94/61/81/436946181.db2.gz RBFJKGAXFPWLIT-CYBMUJFWSA-N 0 3 345.359 0.467 20 5 ECBDHN Cn1ccnc1CC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174784522 437086916 /nfs/dbraw/zinc/08/69/16/437086916.db2.gz FMMJKNDHKBVDDM-HNNXBMFYSA-N 0 3 348.407 0.840 20 5 ECBDHN CC(C)(C)OC(=O)[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178531227 437218333 /nfs/dbraw/zinc/21/83/33/437218333.db2.gz YKWNAETVHSSBEJ-AAEUAGOBSA-N 0 3 340.380 0.816 20 5 ECBDHN C[C@H]1OCC[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178683861 437224013 /nfs/dbraw/zinc/22/40/13/437224013.db2.gz JBEMUXKKSRRJFB-ZWNOBZJWSA-N 0 3 329.378 0.640 20 5 ECBDHN CCCc1n[nH]c(C(=O)NCC2(O)CCN(C)CC2)c1[N+](=O)[O-] ZINC000266684646 437229084 /nfs/dbraw/zinc/22/90/84/437229084.db2.gz ACGQKAQYEFBHFR-UHFFFAOYSA-N 0 3 325.369 0.457 20 5 ECBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000180942062 437305630 /nfs/dbraw/zinc/30/56/30/437305630.db2.gz QOYGLPDWGNCLIR-NEPJUHHUSA-N 0 3 343.405 0.888 20 5 ECBDHN C[C@H](O)CN(CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000289824675 437443757 /nfs/dbraw/zinc/44/37/57/437443757.db2.gz OIGKMDBIJJFDIT-JTQLQIEISA-N 0 3 329.328 0.738 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@@H]1CCC[NH2+]C1)OCCO2 ZINC000262770598 304801375 /nfs/dbraw/zinc/80/13/75/304801375.db2.gz VTSAIOQFIUUSSU-SECBINFHSA-N 0 3 343.361 0.396 20 5 ECBDHN NC(=O)c1cccc(N2CCN(C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000340016464 437548931 /nfs/dbraw/zinc/54/89/31/437548931.db2.gz PIQUDDIPYYQOMP-GFCCVEGCSA-N 0 3 334.376 0.852 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)C[C@H]2CCCO2)n1 ZINC000191804056 437654806 /nfs/dbraw/zinc/65/48/06/437654806.db2.gz ISYUDTLIUJSQQS-GFCCVEGCSA-N 0 3 339.396 0.994 20 5 ECBDHN C[C@@H]1OCC[C@@H]1N(CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361556054 437671004 /nfs/dbraw/zinc/67/10/04/437671004.db2.gz DZQGGQZHPPVMSG-IHRRRGAJSA-N 0 3 340.376 0.806 20 5 ECBDHN Cc1n[nH]c(C(=O)NC(C)(C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000331027968 437674254 /nfs/dbraw/zinc/67/42/54/437674254.db2.gz CTSVGHDYZFKXQB-UHFFFAOYSA-N 0 3 338.412 0.772 20 5 ECBDHN CC1(C)CCCN(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000331288525 437733291 /nfs/dbraw/zinc/73/32/91/437733291.db2.gz ILSBGDAVZNTFFE-UHFFFAOYSA-N 0 3 336.392 0.995 20 5 ECBDHN Cc1c(C(=O)NC[C@H]2CNCCO2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000423984388 437869240 /nfs/dbraw/zinc/86/92/40/437869240.db2.gz BMVOHLZVFYEBPK-CYBMUJFWSA-N 0 3 346.347 0.202 20 5 ECBDHN Cc1ccc(S(=O)(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000347150867 437840872 /nfs/dbraw/zinc/84/08/72/437840872.db2.gz CORUKONRTHULLU-UHFFFAOYSA-N 0 3 331.394 0.760 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCN([C@H]2CCSC2)CC1 ZINC000371286427 437910038 /nfs/dbraw/zinc/91/00/38/437910038.db2.gz CXQIJXPRUQSCKF-AWEZNQCLSA-N 0 3 338.433 0.880 20 5 ECBDHN O=C(C[C@H]1CNCCO1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000430773178 438120902 /nfs/dbraw/zinc/12/09/02/438120902.db2.gz RBGCENJAYLGDOL-YPMHNXCESA-N 0 3 335.364 0.381 20 5 ECBDHN CN(C)CCOc1ccccc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000349641328 438166892 /nfs/dbraw/zinc/16/68/92/438166892.db2.gz BSCZSFQGZDPDIJ-UHFFFAOYSA-N 0 3 348.363 0.443 20 5 ECBDHN NC[C@@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000419043848 438302367 /nfs/dbraw/zinc/30/23/67/438302367.db2.gz SBLQFDXGHNDRAN-CQSZACIVSA-N 0 3 348.403 0.887 20 5 ECBDHN COc1ccc(NC(=O)CCN(C)[C@@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352791305 438476517 /nfs/dbraw/zinc/47/65/17/438476517.db2.gz HQZYLFYKNAEAST-KGLIPLIRSA-N 0 3 339.348 0.624 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC000369783920 438515078 /nfs/dbraw/zinc/51/50/78/438515078.db2.gz XICGMQUCTBXBRP-TZMCWYRMSA-N 0 3 332.364 0.822 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601129729 438821510 /nfs/dbraw/zinc/82/15/10/438821510.db2.gz ABRDKQOLTVYGQD-LBPRGKRZSA-N 0 3 337.355 0.872 20 5 ECBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000577190746 438822197 /nfs/dbraw/zinc/82/21/97/438822197.db2.gz RAKGXCDUBRSZDB-INIZCTEOSA-N 0 3 349.343 0.510 20 5 ECBDHN CO[C@]1(CO)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595658459 438840627 /nfs/dbraw/zinc/84/06/27/438840627.db2.gz JLJYJUDYDXGRAT-CZUORRHYSA-N 0 3 340.376 0.808 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860519 438844131 /nfs/dbraw/zinc/84/41/31/438844131.db2.gz GRYZIXIVESCJFA-UONOGXRCSA-N 0 3 335.360 0.641 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000588866685 438846093 /nfs/dbraw/zinc/84/60/93/438846093.db2.gz PORSAPCGROCYKH-CYBMUJFWSA-N 0 3 336.392 0.847 20 5 ECBDHN C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000588873797 438847194 /nfs/dbraw/zinc/84/71/94/438847194.db2.gz PJIXFQQIDQMEDF-LBPRGKRZSA-N 0 3 336.392 0.710 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590281503 438907087 /nfs/dbraw/zinc/90/70/87/438907087.db2.gz OBLOSYUXCYARMA-GWCFXTLKSA-N 0 3 348.359 0.704 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590370214 438914740 /nfs/dbraw/zinc/91/47/40/438914740.db2.gz VLQIIUICRWCMFO-VIFPVBQESA-N 0 3 325.321 0.018 20 5 ECBDHN CN1CCN(CC2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000590400845 438918415 /nfs/dbraw/zinc/91/84/15/438918415.db2.gz ZMNNHRLWUWNAOO-UHFFFAOYSA-N 0 3 348.403 0.679 20 5 ECBDHN CN1C[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590440740 438923589 /nfs/dbraw/zinc/92/35/89/438923589.db2.gz BJPPUDSHGNPIKW-GXTWGEPZSA-N 0 3 332.360 0.487 20 5 ECBDHN CN1CCN(C)[C@@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000579104039 438980457 /nfs/dbraw/zinc/98/04/57/438980457.db2.gz ZZMYSQDNTGLBLZ-KBPBESRZSA-N 0 3 338.408 0.170 20 5 ECBDHN CN(C)[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000580566840 439104623 /nfs/dbraw/zinc/10/46/23/439104623.db2.gz HHDNMHBGEAESBS-STQMWFEESA-N 0 3 342.783 0.793 20 5 ECBDHN CNC(=O)c1ccc(N2CN(CCN(C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000591984000 439126535 /nfs/dbraw/zinc/12/65/35/439126535.db2.gz CSPGKZYVACEUHP-NSHDSACASA-N 0 3 349.391 0.511 20 5 ECBDHN Cc1c(NC(=O)CCN2CCN(C)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000602903141 439154654 /nfs/dbraw/zinc/15/46/54/439154654.db2.gz BUEMHYBCRJUMKW-CYBMUJFWSA-N 0 3 336.392 0.840 20 5 ECBDHN C[C@H]1C[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000592363287 439212888 /nfs/dbraw/zinc/21/28/88/439212888.db2.gz VSIJCAGNRHJEGB-QWRGUYRKSA-N 0 3 329.378 0.640 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000598186099 439238275 /nfs/dbraw/zinc/23/82/75/439238275.db2.gz LGGVXAFUGIINLA-UHFFFAOYSA-N 0 3 336.392 0.995 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000598185405 439238497 /nfs/dbraw/zinc/23/84/97/439238497.db2.gz JHIQZNRHNHVAMW-UHFFFAOYSA-N 0 3 328.394 0.748 20 5 ECBDHN CN1C[C@H]2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000598901627 439323134 /nfs/dbraw/zinc/32/31/34/439323134.db2.gz AWILILAIWNMGCT-RISCZKNCSA-N 0 3 347.375 0.879 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H]1CCCS1(=O)=O ZINC000569449672 439332002 /nfs/dbraw/zinc/33/20/02/439332002.db2.gz NQUTUFHAKVHFBK-NEPJUHHUSA-N 0 3 344.389 0.501 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000592881594 439295685 /nfs/dbraw/zinc/29/56/85/439295685.db2.gz UMYSQTFNOAEGLH-GFCCVEGCSA-N 0 3 334.376 0.716 20 5 ECBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592881531 439296205 /nfs/dbraw/zinc/29/62/05/439296205.db2.gz SVOOPTYVAQIZFS-LLVKDONJSA-N 0 3 335.364 0.490 20 5 ECBDHN C[C@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CCN(Cc2ccccc2)C1 ZINC000593342148 439369029 /nfs/dbraw/zinc/36/90/29/439369029.db2.gz KTEIGWYNJHGYET-INIZCTEOSA-N 0 3 344.375 0.967 20 5 ECBDHN CN(Cc1ccccc1)C(=O)CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583258410 439441189 /nfs/dbraw/zinc/44/11/89/439441189.db2.gz TVTZZULZEDKXDL-OAHLLOKOSA-N 0 3 347.375 0.400 20 5 ECBDHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000583576066 439484360 /nfs/dbraw/zinc/48/43/60/439484360.db2.gz BQXUVNFLVQBPFR-LEWSCRJBSA-N 0 3 347.375 0.609 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(N3CCCC3)nc2)c1 ZINC000584108183 439548883 /nfs/dbraw/zinc/54/88/83/439548883.db2.gz QRKFNRRAPFQQGO-HNNXBMFYSA-N 0 3 346.391 0.937 20 5 ECBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000609306843 439562585 /nfs/dbraw/zinc/56/25/85/439562585.db2.gz FIZBYXKCIQWSJG-CYBMUJFWSA-N 0 3 349.391 0.488 20 5 ECBDHN COc1cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939529 439580641 /nfs/dbraw/zinc/58/06/41/439580641.db2.gz WKMPWQQLCZLDAN-OLZOCXBDSA-N 0 3 335.360 0.885 20 5 ECBDHN C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000493086198 439601213 /nfs/dbraw/zinc/60/12/13/439601213.db2.gz DQQBFULINYNJKH-LZGFCCKTSA-N 0 3 334.376 0.791 20 5 ECBDHN Nc1cc(N2CCN(C[C@@H]3CCOC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000585707031 439645278 /nfs/dbraw/zinc/64/52/78/439645278.db2.gz IZGBTTNVRBHVQM-LBPRGKRZSA-N 0 3 336.392 0.828 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C3(CCC3)C2)nc1 ZINC000595121416 439655516 /nfs/dbraw/zinc/65/55/16/439655516.db2.gz ZYIPHILUSZAQMR-JTQLQIEISA-N 0 3 326.378 0.943 20 5 ECBDHN Cc1nn(C)c(C(=O)N2CCC(OCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000330714285 320854862 /nfs/dbraw/zinc/85/48/62/320854862.db2.gz ZWSJRGRCNOQBHR-UHFFFAOYSA-N 0 3 339.396 0.820 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)C(C)C ZINC000344813511 321165545 /nfs/dbraw/zinc/16/55/45/321165545.db2.gz MFAPGUVUGLNIEA-UHFFFAOYSA-N 0 3 338.364 0.998 20 5 ECBDHN C[C@H](CN(C)C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000346144009 321215819 /nfs/dbraw/zinc/21/58/19/321215819.db2.gz UCNFVSGUXCFNSX-GHMZBOCLSA-N 0 3 338.364 0.859 20 5 ECBDHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000346144012 321215953 /nfs/dbraw/zinc/21/59/53/321215953.db2.gz UCNFVSGUXCFNSX-WDEREUQCSA-N 0 3 338.364 0.859 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1COC[C@@H]1O ZINC000352795812 321372438 /nfs/dbraw/zinc/37/24/38/321372438.db2.gz FUPHLUJVJAOJKY-OLZOCXBDSA-N 0 3 339.348 0.624 20 5 ECBDHN C[C@@H]([NH3+])C[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000578133821 322855974 /nfs/dbraw/zinc/85/59/74/322855974.db2.gz VJOXZSLNEGMMKU-NXEZZACHSA-N 0 3 344.393 0.115 20 5 ECBDHN CCN(CCO)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000183987490 528548161 /nfs/dbraw/zinc/54/81/61/528548161.db2.gz YVURQQFZQHUFFV-UHFFFAOYSA-N 0 3 348.363 0.220 20 5 ECBDHN CN(C)C[C@@]1(O)CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000619254966 546311788 /nfs/dbraw/zinc/31/17/88/546311788.db2.gz RBVIIBVARCJACN-INIZCTEOSA-N 0 3 336.392 0.922 20 5 ECBDHN Cc1nn(C)c(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c1[N+](=O)[O-] ZINC000619253751 546311829 /nfs/dbraw/zinc/31/18/29/546311829.db2.gz FGZQQGOIOQWFFE-CQSZACIVSA-N 0 3 325.369 0.165 20 5 ECBDHN C[C@H](OC(=O)C1CCN(C)C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000772529512 579209499 /nfs/dbraw/zinc/20/94/99/579209499.db2.gz CWSHVUYFXHQYKL-JOYOIKCWSA-N 0 3 335.316 0.943 20 5 ECBDHN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)NC1CNC1 ZINC000841174701 588980974 /nfs/dbraw/zinc/98/09/74/588980974.db2.gz NMDDHWJECMWJSI-UHFFFAOYSA-N 0 3 343.137 0.384 20 5 ECBDHN O=C(NC[C@@H]1CNCCO1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842010859 589007806 /nfs/dbraw/zinc/00/78/06/589007806.db2.gz KUWAVOGMUXIDPB-HNNXBMFYSA-N 0 3 349.391 0.415 20 5 ECBDHN CNS(=O)(=O)c1ccc(N2CC[C@@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893939986 586367446 /nfs/dbraw/zinc/36/74/46/586367446.db2.gz LMTZSAKAQCEZJL-YGRLFVJLSA-N 0 3 340.405 0.643 20 5 ECBDHN Cc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000844038185 589090521 /nfs/dbraw/zinc/09/05/21/589090521.db2.gz XDPFJAAYBAGVLZ-LLVKDONJSA-N 0 3 349.391 0.677 20 5 ECBDHN CC(COC(=O)c1nc(S(C)(=O)=O)n2ccccc12)[N+](=O)[O-] ZINC000813103280 587247980 /nfs/dbraw/zinc/24/79/80/587247980.db2.gz BNBTYCDWTFGNCP-MRVPVSSYSA-N 0 3 327.318 0.560 20 5 ECBDHN CC(COC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[N+](=O)[O-] ZINC000813104610 587248000 /nfs/dbraw/zinc/24/80/00/587248000.db2.gz FJKYQHPDUFPNAT-GFCCVEGCSA-N 0 3 347.327 0.267 20 5 ECBDHN CCNS(=O)(=O)c1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110648 587248450 /nfs/dbraw/zinc/24/84/50/587248450.db2.gz GKTHRPNACUWVIA-JTQLQIEISA-N 0 3 330.362 0.736 20 5 ECBDHN CC(COC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)[N+](=O)[O-] ZINC000813114814 587248803 /nfs/dbraw/zinc/24/88/03/587248803.db2.gz WQKMNCWURAFGDC-QPUJVOFHSA-N 0 3 338.295 0.454 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(-n3ccnc3)nc2)c1 ZINC000818951581 587461662 /nfs/dbraw/zinc/46/16/62/587461662.db2.gz KHZVFJFBNDABMN-CQSZACIVSA-N 0 3 343.347 0.523 20 5 ECBDHN CC[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000819138990 587469942 /nfs/dbraw/zinc/46/99/42/587469942.db2.gz FTIKVUBBOKBGLZ-GJZGRUSLSA-N 0 3 337.376 0.855 20 5 ECBDHN O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000824302754 587866625 /nfs/dbraw/zinc/86/66/25/587866625.db2.gz DECYCEBJPLKEPC-XUWVNRHRSA-N 0 3 331.372 0.976 20 5 ECBDHN CN(C)CCN1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000844714032 589117302 /nfs/dbraw/zinc/11/73/02/589117302.db2.gz GSDUMKDMWKBVRH-UHFFFAOYSA-N 0 3 346.391 0.608 20 5 ECBDHN COc1cc(F)c([N+](=O)[O-])c(N2CCN(CCN(C)C)C(=O)C2)c1 ZINC000845635722 589165952 /nfs/dbraw/zinc/16/59/52/589165952.db2.gz PVGPHHFQFHFNBW-UHFFFAOYSA-N 0 3 340.355 0.953 20 5 ECBDHN COCCN1CCC(OC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000847883980 589269086 /nfs/dbraw/zinc/26/90/86/589269086.db2.gz QEYWDSCKHJJMIS-UHFFFAOYSA-N 0 3 326.353 0.835 20 5 ECBDHN C[C@@H](NC[C@]1(OCCO)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850506208 589368994 /nfs/dbraw/zinc/36/89/94/589368994.db2.gz CMCDFUGLOAGYCE-IAQYHMDHSA-N 0 3 325.365 0.996 20 5 ECBDHN [NH3+]CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000122684396 589973431 /nfs/dbraw/zinc/97/34/31/589973431.db2.gz KCKCCVHOICFUSK-UHFFFAOYSA-N 0 3 338.183 0.984 20 5 ECBDHN CC(COC(=O)c1nn(C)cc1I)[N+](=O)[O-] ZINC000870376330 590014905 /nfs/dbraw/zinc/01/49/05/590014905.db2.gz GPCPLYCRQJHQJG-RXMQYKEDSA-N 0 3 339.089 0.847 20 5 ECBDHN COC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCOC1 ZINC000886914240 590906090 /nfs/dbraw/zinc/90/60/90/590906090.db2.gz SYLUZZOJIYTNFM-OCCSQVGLSA-N 0 3 325.365 0.788 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]2OCCN[C@@H]2C1 ZINC000923384381 611235926 /nfs/dbraw/zinc/23/59/26/611235926.db2.gz GNYSLASIOMHCJJ-NFAWXSAZSA-N 0 3 337.376 0.397 20 5 ECBDHN C[NH+](C)CCC(=O)NCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001127749384 758213197 /nfs/dbraw/zinc/21/31/97/758213197.db2.gz HKHBMKNBMIFACV-UHFFFAOYSA-N 0 3 349.391 0.900 20 5 ECBDHN Cn1ncc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)c1N ZINC001020094505 772152076 /nfs/dbraw/zinc/15/20/76/772152076.db2.gz JDURSYRYJWXBPO-HAQNSBGRSA-N 0 3 344.375 0.961 20 5 ECBDHN Cc1cc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)ncn1 ZINC001072725132 788651847 /nfs/dbraw/zinc/65/18/47/788651847.db2.gz IHRIYGHLTIDBFE-ZIAGYGMSSA-N 0 3 331.376 0.485 20 5 ECBDHN Cc1cc(CC(=O)NC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]n1 ZINC001073013009 789272984 /nfs/dbraw/zinc/27/29/84/789272984.db2.gz MXIJGYKSXHWRTI-CHWSQXEVSA-N 0 3 349.391 0.423 20 5 ECBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C[C@H]21 ZINC000375036152 283152632 /nfs/dbraw/zinc/15/26/32/283152632.db2.gz FTZDWPYQQIZRSJ-GXFFZTMASA-N 0 3 340.405 0.773 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CNCCO2)c1C ZINC000420471601 209373499 /nfs/dbraw/zinc/37/34/99/209373499.db2.gz BAXMLHUORONNDS-LLVKDONJSA-N 0 3 329.378 0.478 20 5 ECBDHN NC[C@@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000420070656 209296933 /nfs/dbraw/zinc/29/69/33/209296933.db2.gz WVKXZAQAQQZPQP-OAHLLOKOSA-N 0 3 346.387 0.939 20 5 ECBDHN CC(C)(C)[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000109332117 204282067 /nfs/dbraw/zinc/28/20/67/204282067.db2.gz OONJFWIUFMAJJA-YPMHNXCESA-N 0 3 325.365 0.824 20 5 ECBDHN Cc1cnn([C@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000174785876 207058440 /nfs/dbraw/zinc/05/84/40/207058440.db2.gz ZJNMPWZMHVLEGE-ZFWWWQNUSA-N 0 3 334.380 0.994 20 5 ECBDHN CO[C@@H](C)[C@@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000268865860 252315662 /nfs/dbraw/zinc/31/56/62/252315662.db2.gz WOGOJFLZBGURCN-MNOVXSKESA-N 0 3 331.394 0.886 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411953471 208177018 /nfs/dbraw/zinc/17/70/18/208177018.db2.gz UGYVYTPFHHQVTI-BZUAXINKSA-N 0 3 332.360 0.960 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000411953474 208177643 /nfs/dbraw/zinc/17/76/43/208177643.db2.gz UGYVYTPFHHQVTI-OAGGEKHMSA-N 0 3 332.360 0.960 20 5 ECBDHN COC(=O)[C@@]1(C)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412073428 208197575 /nfs/dbraw/zinc/19/75/75/208197575.db2.gz QEUAKQCIIDBPIG-OCCSQVGLSA-N 0 3 326.353 0.427 20 5 ECBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)CN1CCOCC1 ZINC000412103414 208205386 /nfs/dbraw/zinc/20/53/86/208205386.db2.gz ZYEUGUDAKAUJRV-UHFFFAOYSA-N 0 3 338.408 0.799 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCOC2(CNC2)C1 ZINC000415903361 208595016 /nfs/dbraw/zinc/59/50/16/208595016.db2.gz YWZMUFHKJNORKI-UHFFFAOYSA-N 0 3 348.359 0.351 20 5 ECBDHN CN(C)C1(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000416291085 208618367 /nfs/dbraw/zinc/61/83/67/208618367.db2.gz NXWCCQUFQAPUCO-UHFFFAOYSA-N 0 3 346.343 0.401 20 5 ECBDHN NC[C@@H](NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000419169380 209010127 /nfs/dbraw/zinc/01/01/27/209010127.db2.gz ULVRXCHJIQWSRR-GFCCVEGCSA-N 0 3 340.767 0.718 20 5 ECBDHN CN(C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000058049780 296606641 /nfs/dbraw/zinc/60/66/41/296606641.db2.gz IVQTVGMVLLRFPZ-ZDUSSCGKSA-N 0 3 332.364 0.475 20 5 ECBDHN CN(C)CCN1C[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000073100336 296614248 /nfs/dbraw/zinc/61/42/48/296614248.db2.gz AZHMBOOZACWOCC-CYBMUJFWSA-N 0 3 334.376 0.621 20 5 ECBDHN CCN1CCN(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000193101285 165053170 /nfs/dbraw/zinc/05/31/70/165053170.db2.gz YYPOOCFVWFXHSF-UHFFFAOYSA-N 0 3 342.421 0.511 20 5 ECBDHN COC(=O)[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000248957562 165192200 /nfs/dbraw/zinc/19/22/00/165192200.db2.gz ATYVCLHCGGGASB-RAIGVLPGSA-N 0 3 326.353 0.283 20 5 ECBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CNCCO2)c1C ZINC000262361064 165337127 /nfs/dbraw/zinc/33/71/27/165337127.db2.gz WLXULUVYQAYHDM-LBPRGKRZSA-N 0 3 329.378 0.478 20 5 ECBDHN CS[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1N1CCCC1 ZINC000331374221 296924142 /nfs/dbraw/zinc/92/41/42/296924142.db2.gz CLRGEEXNEYMKQP-MNOVXSKESA-N 0 3 340.409 0.225 20 5 ECBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCNC1=O ZINC000340225024 437613143 /nfs/dbraw/zinc/61/31/43/437613143.db2.gz HMCKSQSOBGKNDX-LLVKDONJSA-N 0 3 334.332 0.713 20 5 ECBDHN [NH3+][C@H]1C[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000479746680 295343167 /nfs/dbraw/zinc/34/31/67/295343167.db2.gz AAFNYIVUQGMKCU-ZKCHVHJHSA-N 0 3 329.334 0.134 20 5 ECBDHN CN(C)CCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000346426440 298277411 /nfs/dbraw/zinc/27/74/11/298277411.db2.gz UMLJSIWFMMGWBA-UHFFFAOYSA-N 0 3 337.380 0.453 20 5 ECBDHN COC(=O)C[C@@]1(NCCn2cc([N+](=O)[O-])ccc2=O)CCOC1 ZINC000362269438 300178734 /nfs/dbraw/zinc/17/87/34/300178734.db2.gz JFJZHLMUMVMTOQ-AWEZNQCLSA-N 0 3 325.321 0.068 20 5 ECBDHN CN1CCC(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000028641102 436191890 /nfs/dbraw/zinc/19/18/90/436191890.db2.gz MFIOUUIEIZNKBJ-UHFFFAOYSA-N 0 3 334.376 0.925 20 5 ECBDHN O=C(NCC1CC1)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090517668 436433687 /nfs/dbraw/zinc/43/36/87/436433687.db2.gz YOFFWLBPRAALSV-CQSZACIVSA-N 0 3 348.403 0.995 20 5 ECBDHN C[C@@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CN1Cc1ccccc1 ZINC000137533030 436659220 /nfs/dbraw/zinc/65/92/20/436659220.db2.gz FNKRCMODMPUADH-TZMCWYRMSA-N 0 3 344.375 0.966 20 5 ECBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000557307765 302459282 /nfs/dbraw/zinc/45/92/82/302459282.db2.gz ZPUGISHOHCBJLF-ZDUSSCGKSA-N 0 3 348.403 0.969 20 5 ECBDHN O=C(CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCNCC1 ZINC000568748565 302496545 /nfs/dbraw/zinc/49/65/45/302496545.db2.gz FXFCYEJRZCUNSU-HNNXBMFYSA-N 0 3 332.404 0.937 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000153204492 436751021 /nfs/dbraw/zinc/75/10/21/436751021.db2.gz JBXZMIBCANHLQC-MRXNPFEDSA-N 0 3 348.359 0.479 20 5 ECBDHN CN1CCN(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1(C)C ZINC000281772604 436997184 /nfs/dbraw/zinc/99/71/84/436997184.db2.gz MHZAZEITLXYXBD-UHFFFAOYSA-N 0 3 335.408 0.933 20 5 ECBDHN O=C(NC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)C1CC1 ZINC000174730165 437087879 /nfs/dbraw/zinc/08/78/79/437087879.db2.gz HJRIKSRENVPVSW-CQSZACIVSA-N 0 3 337.380 0.143 20 5 ECBDHN CN1CCO[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000331884036 437174299 /nfs/dbraw/zinc/17/42/99/437174299.db2.gz FKWLNIYHOSYNGB-LSDHHAIUSA-N 0 3 334.376 0.938 20 5 ECBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000331885292 437174848 /nfs/dbraw/zinc/17/48/48/437174848.db2.gz DLIYRCZJRKNFKR-OLZOCXBDSA-N 0 3 334.376 0.842 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@@H]2CCCOC2)cc1 ZINC000178000999 437204252 /nfs/dbraw/zinc/20/42/52/437204252.db2.gz GGHZEICWLUTWJU-LLVKDONJSA-N 0 3 329.378 0.642 20 5 ECBDHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000332085633 437205461 /nfs/dbraw/zinc/20/54/61/437205461.db2.gz FVPAKGLPXBPRRM-GFCCVEGCSA-N 0 3 335.364 0.302 20 5 ECBDHN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000332085633 437205466 /nfs/dbraw/zinc/20/54/66/437205466.db2.gz FVPAKGLPXBPRRM-GFCCVEGCSA-N 0 3 335.364 0.302 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000332085633 437205472 /nfs/dbraw/zinc/20/54/72/437205472.db2.gz FVPAKGLPXBPRRM-GFCCVEGCSA-N 0 3 335.364 0.302 20 5 ECBDHN C[C@H]1OCC[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178683831 437224707 /nfs/dbraw/zinc/22/47/07/437224707.db2.gz JYBPHYLIBLYVAP-MFKMUULPSA-N 0 3 329.378 0.640 20 5 ECBDHN CN(C)CCN(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000266962244 437271064 /nfs/dbraw/zinc/27/10/64/437271064.db2.gz IAWSFBNQUNZIEA-UHFFFAOYSA-N 0 3 340.405 0.806 20 5 ECBDHN O=C1C[C@]2(CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278751755 437340617 /nfs/dbraw/zinc/34/06/17/437340617.db2.gz AYFIZSWOMBSYHP-BLLLJJGKSA-N 0 3 335.360 0.547 20 5 ECBDHN CN(C)CCn1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 ZINC000338647605 437412600 /nfs/dbraw/zinc/41/26/00/437412600.db2.gz SZCNTLLGTXAHAN-UHFFFAOYSA-N 0 3 333.348 1.370 20 5 ECBDHN CC(C)[C@@](C)(NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000289336029 437401948 /nfs/dbraw/zinc/40/19/48/437401948.db2.gz LHIWEGMGYHZTDW-XHDPSFHLSA-N 0 3 325.365 0.824 20 5 ECBDHN COCCN(CCN(C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269098522 437454507 /nfs/dbraw/zinc/45/45/07/437454507.db2.gz KLXSRVYGQLXSPZ-UHFFFAOYSA-N 0 3 328.373 0.011 20 5 ECBDHN CC1CCN(C[C@H](O)CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000360756938 437648954 /nfs/dbraw/zinc/64/89/54/437648954.db2.gz WEOJFYZBFPYJOG-LLVKDONJSA-N 0 3 325.369 0.151 20 5 ECBDHN CCN1CC[C@@H]2OCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000355317901 437695845 /nfs/dbraw/zinc/69/58/45/437695845.db2.gz LZBKAFNOHMXJMI-KBPBESRZSA-N 0 3 337.380 0.503 20 5 ECBDHN O=[N+]([O-])c1cccc(OCCN(CCO)CCN2CCOCC2)c1 ZINC000361951124 437705971 /nfs/dbraw/zinc/70/59/71/437705971.db2.gz HFRYFEXGAMGIDY-UHFFFAOYSA-N 0 3 339.392 0.600 20 5 ECBDHN C[C@H](CO)N1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364922633 437825703 /nfs/dbraw/zinc/82/57/03/437825703.db2.gz OEYOGDPGTDRVHD-CYBMUJFWSA-N 0 3 337.376 0.889 20 5 ECBDHN C[C@@H](CO)N1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000364925593 437826366 /nfs/dbraw/zinc/82/63/66/437826366.db2.gz ZYNUFLASFAJZGI-ZDUSSCGKSA-N 0 3 337.376 0.889 20 5 ECBDHN COCCCN1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000363634755 437801319 /nfs/dbraw/zinc/80/13/19/437801319.db2.gz OVLQSUZYSZRQSJ-UHFFFAOYSA-N 0 3 339.396 0.671 20 5 ECBDHN CN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CNC1 ZINC000415745625 437853810 /nfs/dbraw/zinc/85/38/10/437853810.db2.gz RDMDICOJSGFENM-UHFFFAOYSA-N 0 3 344.274 0.565 20 5 ECBDHN CN(C)C1(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000416304781 437913899 /nfs/dbraw/zinc/91/38/99/437913899.db2.gz VQNHGNDPBUDCGJ-UHFFFAOYSA-N 0 3 349.391 0.604 20 5 ECBDHN CN(C)CCN1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000371334096 437919896 /nfs/dbraw/zinc/91/98/96/437919896.db2.gz DJNBVHCXCQUFLT-UHFFFAOYSA-N 0 3 333.396 0.711 20 5 ECBDHN Cn1cc([C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@H]2N)cn1 ZINC000424226920 437907065 /nfs/dbraw/zinc/90/70/65/437907065.db2.gz PPOAKFANYMEUDD-QWHCGFSZSA-N 0 3 347.379 0.213 20 5 ECBDHN O=C(CCN1CC[C@H]2C(=O)NC(=O)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366307625 438050624 /nfs/dbraw/zinc/05/06/24/438050624.db2.gz DUZQQACRQMEPSY-MNOVXSKESA-N 0 3 346.343 0.518 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCCN2CCN(C)CC2)n1 ZINC000427830174 438084403 /nfs/dbraw/zinc/08/44/03/438084403.db2.gz ZJJCBLLGXFHMOS-UHFFFAOYSA-N 0 3 338.412 0.521 20 5 ECBDHN COc1cc(C(=O)NC[C@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1OC ZINC000358051772 438131040 /nfs/dbraw/zinc/13/10/40/438131040.db2.gz DBPJPPSTPFIMOR-OAHLLOKOSA-N 0 3 339.348 0.408 20 5 ECBDHN C[NH+]1CCC(n2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)CC1 ZINC000373340236 438145821 /nfs/dbraw/zinc/14/58/21/438145821.db2.gz JCXPXJANMSJVOK-UHFFFAOYSA-N 0 3 346.347 1.411 20 5 ECBDHN C[C@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1CN ZINC000418874110 438229637 /nfs/dbraw/zinc/22/96/37/438229637.db2.gz VCAMEUTYFZPNBF-WFASDCNBSA-N 0 3 348.403 0.839 20 5 ECBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C[C@@H]21 ZINC000375036153 438241821 /nfs/dbraw/zinc/24/18/21/438241821.db2.gz FTZDWPYQQIZRSJ-MFKMUULPSA-N 0 3 340.405 0.773 20 5 ECBDHN CN(C[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713988 438325504 /nfs/dbraw/zinc/32/55/04/438325504.db2.gz XYYCLJIOAJROIV-WFASDCNBSA-N 0 3 335.408 0.931 20 5 ECBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000378314694 438376791 /nfs/dbraw/zinc/37/67/91/438376791.db2.gz LDJZKJYBCUGFER-IJLUTSLNSA-N 0 3 337.380 0.937 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1C[NH2+]CCCO1 ZINC000389889553 438430290 /nfs/dbraw/zinc/43/02/90/438430290.db2.gz JSHUTZJTPOWGFO-LLVKDONJSA-N 0 3 329.378 0.560 20 5 ECBDHN CN1CCNC[C@@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000394786367 438446105 /nfs/dbraw/zinc/44/61/05/438446105.db2.gz KOSMSCYFDKAAOY-SNVBAGLBSA-N 0 3 328.394 0.314 20 5 ECBDHN Cc1nc(C)n(C[C@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000369781333 438514793 /nfs/dbraw/zinc/51/47/93/438514793.db2.gz DCEFLSSYGFYLIU-UKRRQHHQSA-N 0 3 349.395 0.525 20 5 ECBDHN Cc1ccsc1[C@H](CO)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494636853 438700784 /nfs/dbraw/zinc/70/07/84/438700784.db2.gz MMAVKYBYWQOBDT-NEPJUHHUSA-N 0 3 326.378 0.845 20 5 ECBDHN C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000548713089 438732268 /nfs/dbraw/zinc/73/22/68/438732268.db2.gz WIGLLIHVKYQYPF-LLVKDONJSA-N 0 3 336.396 0.185 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)[C@H](OC)C1 ZINC000451753884 438712824 /nfs/dbraw/zinc/71/28/24/438712824.db2.gz CETLKERMRWECGA-TZMCWYRMSA-N 0 3 339.348 0.624 20 5 ECBDHN COc1ccc(CNC[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000555911907 438780263 /nfs/dbraw/zinc/78/02/63/438780263.db2.gz FCUHZPZXYPOGQH-CYBMUJFWSA-N 0 3 325.365 0.386 20 5 ECBDHN COC(=O)[C@@H]1OCC[C@@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595664844 438843843 /nfs/dbraw/zinc/84/38/43/438843843.db2.gz WEFFSDZEVCNGCG-GXTWGEPZSA-N 0 3 337.332 0.844 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860515 438844816 /nfs/dbraw/zinc/84/48/16/438844816.db2.gz GQLATMNAEPZCRC-ZIAGYGMSSA-N 0 3 335.360 0.641 20 5 ECBDHN COC(=O)c1cc(C(=O)N[C@H](CO)CN(C)C)cc([N+](=O)[O-])c1 ZINC000588865118 438846433 /nfs/dbraw/zinc/84/64/33/438846433.db2.gz SWGILDLWBDKTFZ-NSHDSACASA-N 0 3 325.321 0.034 20 5 ECBDHN COC(=O)c1cc(C(=O)Nc2nn(C)c(C)c2CN)cc([N+](=O)[O-])c1 ZINC000595959338 438901047 /nfs/dbraw/zinc/90/10/47/438901047.db2.gz OAYDQSTXHAQFFG-UHFFFAOYSA-N 0 3 347.331 1.134 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590369298 438915189 /nfs/dbraw/zinc/91/51/89/438915189.db2.gz BHYGFEHVDYCRPP-NSHDSACASA-N 0 3 333.348 0.433 20 5 ECBDHN O=C1NCCc2ccc(CNC[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000516646677 438917831 /nfs/dbraw/zinc/91/78/31/438917831.db2.gz ISRGDGBQTCBVMG-AWEZNQCLSA-N 0 3 345.359 0.228 20 5 ECBDHN CN(CC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000590551476 438931035 /nfs/dbraw/zinc/93/10/35/438931035.db2.gz YIHTVXOYNDWSAZ-ZIAGYGMSSA-N 0 3 348.403 0.699 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000590548419 438931310 /nfs/dbraw/zinc/93/13/10/438931310.db2.gz CZDAXCGGNDMBPC-LBPRGKRZSA-N 0 3 333.348 0.433 20 5 ECBDHN NC(=O)[C@@H]1CC[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])O1 ZINC000565359369 438944531 /nfs/dbraw/zinc/94/45/31/438944531.db2.gz VBWLWKSBYJGCPP-GWCFXTLKSA-N 0 3 336.348 0.546 20 5 ECBDHN CO[C@@H]1COC[C@@H]1NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000459820830 439008188 /nfs/dbraw/zinc/00/81/88/439008188.db2.gz FIEYLJFXKVCIME-SMDDNHRTSA-N 0 3 337.332 0.896 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H]2CCCS2(=O)=O)c1 ZINC000566556670 439072201 /nfs/dbraw/zinc/07/22/01/439072201.db2.gz KNKNWSZEFQZGBY-GXTWGEPZSA-N 0 3 344.389 0.501 20 5 ECBDHN CCN(C)C(=O)[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591763454 439082536 /nfs/dbraw/zinc/08/25/36/439082536.db2.gz HNIMSOAYBWIYSN-AAEUAGOBSA-N 0 3 325.365 0.791 20 5 ECBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C2)C1 ZINC000566722312 439082784 /nfs/dbraw/zinc/08/27/84/439082784.db2.gz RXCUQMSHSZLYGB-CYBMUJFWSA-N 0 3 326.378 0.706 20 5 ECBDHN COC(=O)[C@H]1CNCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000592555984 439252382 /nfs/dbraw/zinc/25/23/82/439252382.db2.gz ZEXREPXNGJFMNF-GFCCVEGCSA-N 0 3 347.331 0.448 20 5 ECBDHN CN1C[C@@H]2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000598901629 439323336 /nfs/dbraw/zinc/32/33/36/439323336.db2.gz AWILILAIWNMGCT-SMDDNHRTSA-N 0 3 347.375 0.879 20 5 ECBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CC2([NH3+])CCOCC2)c1[N+](=O)[O-] ZINC000599104187 439358761 /nfs/dbraw/zinc/35/87/61/439358761.db2.gz SUXHVOLYMSEXSU-UHFFFAOYSA-N 0 3 343.405 0.998 20 5 ECBDHN CN1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H](CN)C1 ZINC000582727285 439374327 /nfs/dbraw/zinc/37/43/27/439374327.db2.gz GAPJYSDGVHHCAP-CYBMUJFWSA-N 0 3 342.421 0.042 20 5 ECBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000599245854 439398297 /nfs/dbraw/zinc/39/82/97/439398297.db2.gz YHIXJNKRAGBPRI-WDEREUQCSA-N 0 3 345.425 0.822 20 5 ECBDHN CNC(=O)CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583317621 439447432 /nfs/dbraw/zinc/44/74/32/439447432.db2.gz QQDYHEBVHYDGRP-UHFFFAOYSA-N 0 3 329.378 0.484 20 5 ECBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC(=O)N1CCNCC1 ZINC000571431232 439502059 /nfs/dbraw/zinc/50/20/59/439502059.db2.gz KCWUICWPEWQXTK-GFCCVEGCSA-N 0 3 349.391 0.333 20 5 ECBDHN CNc1nccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000594333115 439543083 /nfs/dbraw/zinc/54/30/83/439543083.db2.gz UNSYNVAAPQXCNS-MNOVXSKESA-N 0 3 339.421 1.149 20 5 ECBDHN CCC(=O)N1CC[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000572393697 439578315 /nfs/dbraw/zinc/57/83/15/439578315.db2.gz ULXIGTOBGBAGGV-QWHCGFSZSA-N 0 3 337.376 0.935 20 5 ECBDHN CNc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599936807 439578562 /nfs/dbraw/zinc/57/85/62/439578562.db2.gz CANBKGUETCHHSZ-QWHCGFSZSA-N 0 3 334.376 0.918 20 5 ECBDHN COc1ccc(CC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599938345 439579471 /nfs/dbraw/zinc/57/94/71/439579471.db2.gz NTPLBMYTKIDXEV-ZIAGYGMSSA-N 0 3 349.387 0.813 20 5 ECBDHN CC(C)(C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000599938935 439581519 /nfs/dbraw/zinc/58/15/19/439581519.db2.gz STKZNWIKTBAVHA-YPMHNXCESA-N 0 3 337.380 0.194 20 5 ECBDHN COCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594732823 439597246 /nfs/dbraw/zinc/59/72/46/439597246.db2.gz OJYKIVKSMHSUNC-LBPRGKRZSA-N 0 3 335.364 0.792 20 5 ECBDHN Cn1ncc(C2CCC2)c1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594733309 439599548 /nfs/dbraw/zinc/59/95/48/439599548.db2.gz VFZNWHNXLAQTJT-CYBMUJFWSA-N 0 3 334.380 0.943 20 5 ECBDHN COC(=O)COc1ccc(CNC[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000594986310 439646185 /nfs/dbraw/zinc/64/61/85/439646185.db2.gz DGGJZNUQMUTJRM-NSHDSACASA-N 0 3 337.332 0.515 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)n1 ZINC000611335004 439691763 /nfs/dbraw/zinc/69/17/63/439691763.db2.gz XPOFVDXUKMVRSO-LBPRGKRZSA-N 0 3 336.396 0.180 20 5 ECBDHN CN(C)CCOc1cc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])ccn1 ZINC000271473516 320552467 /nfs/dbraw/zinc/55/24/67/320552467.db2.gz ZFZFCDZLKJUZIR-UHFFFAOYSA-N 0 3 348.363 0.594 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000316897373 320708377 /nfs/dbraw/zinc/70/83/77/320708377.db2.gz DHJYCEZMEDGKTB-GFCCVEGCSA-N 0 3 328.394 0.167 20 5 ECBDHN COc1cc(C(=O)NC[C@H]2CNCCO2)c([N+](=O)[O-])cc1OC ZINC000322599735 320718384 /nfs/dbraw/zinc/71/83/84/320718384.db2.gz LWAQAKKRADGTLR-SECBINFHSA-N 0 3 325.321 0.330 20 5 ECBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000330940441 320874821 /nfs/dbraw/zinc/87/48/21/320874821.db2.gz CLUGQEVQZACQGV-NWDGAFQWSA-N 0 3 338.412 0.990 20 5 ECBDHN CN1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000340378294 321037577 /nfs/dbraw/zinc/03/75/77/321037577.db2.gz QBGXONAKQIUAOM-GXTWGEPZSA-N 0 3 330.348 0.748 20 5 ECBDHN CCc1n[n-]c(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000347119387 321231793 /nfs/dbraw/zinc/23/17/93/321231793.db2.gz WVYKTOXHKTUOCF-JTQLQIEISA-N 0 3 325.369 0.721 20 5 ECBDHN CNC(=O)CCNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353735850 321411353 /nfs/dbraw/zinc/41/13/53/321411353.db2.gz IJXPYCJFTNADOV-UHFFFAOYSA-N 0 3 325.321 0.372 20 5 ECBDHN CN1CCC(NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000559388063 322219281 /nfs/dbraw/zinc/21/92/81/322219281.db2.gz LOQIOWCXIGHYJT-UHFFFAOYSA-N 0 3 346.387 0.690 20 5 ECBDHN CCC(=O)N1CC[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000564853869 322400385 /nfs/dbraw/zinc/40/03/85/322400385.db2.gz IKQDVLNCEQLFSJ-JSGCOSHPSA-N 0 3 337.376 0.935 20 5 ECBDHN O=[N+]([O-])c1ccc(OCCNC[C@@H](O)CN2CCOCC2)cc1 ZINC000564856755 322400935 /nfs/dbraw/zinc/40/09/35/322400935.db2.gz OCWFNXLJQAIHMT-CQSZACIVSA-N 0 3 325.365 0.256 20 5 ECBDHN N[C@H]1C[C@@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])CCN2C1=O ZINC000566020630 322494511 /nfs/dbraw/zinc/49/45/11/322494511.db2.gz YLTYWGBJLNMGRC-MFKMUULPSA-N 0 3 327.344 0.891 20 5 ECBDHN CN(C)[C@H]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000573929483 322770439 /nfs/dbraw/zinc/77/04/39/322770439.db2.gz OCKYZLDMNLODGP-ZDUSSCGKSA-N 0 3 346.387 0.642 20 5 ECBDHN O=c1[nH]c2ccccc2n1CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578006327 322852629 /nfs/dbraw/zinc/85/26/29/322852629.db2.gz BKHNNWOVSFRKSY-GFCCVEGCSA-N 0 3 346.347 0.497 20 5 ECBDHN O=C(CCN1C[C@@H](O)C[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000189586980 534417616 /nfs/dbraw/zinc/41/76/16/534417616.db2.gz SHNIBQFDEYSXQO-QWRGUYRKSA-N 0 3 327.312 0.490 20 5 ECBDHN CCN(CCO)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000183956856 528531399 /nfs/dbraw/zinc/53/13/99/528531399.db2.gz ZATUFOXCNPHRIV-UHFFFAOYSA-N 0 3 327.385 0.229 20 5 ECBDHN CCc1n[nH]c(C(=O)NC2CCN(CCOC)CC2)c1[N+](=O)[O-] ZINC000264685090 536002816 /nfs/dbraw/zinc/00/28/16/536002816.db2.gz QTNQHDNUVUCHOD-UHFFFAOYSA-N 0 3 325.369 0.721 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000752481479 579386101 /nfs/dbraw/zinc/38/61/01/579386101.db2.gz NVMPANRKTYSRGN-HNNXBMFYSA-N 0 3 335.364 0.373 20 5 ECBDHN CC(C)(C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)n1cc([N+](=O)[O-])cn1 ZINC000726531583 578142995 /nfs/dbraw/zinc/14/29/95/578142995.db2.gz LXCUHJQPSKKFCD-YPMHNXCESA-N 0 3 337.380 0.506 20 5 ECBDHN C[NH+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736758323 578449818 /nfs/dbraw/zinc/44/98/18/578449818.db2.gz FVYJNMWSLIQCGT-UHFFFAOYSA-N 0 3 332.368 0.948 20 5 ECBDHN C[NH+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736758323 578449819 /nfs/dbraw/zinc/44/98/19/578449819.db2.gz FVYJNMWSLIQCGT-UHFFFAOYSA-N 0 3 332.368 0.948 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCS(=O)(=O)C1 ZINC000783910587 578747094 /nfs/dbraw/zinc/74/70/94/578747094.db2.gz HXJRJOSCFYKHHK-GHMZBOCLSA-N 0 3 330.362 0.111 20 5 ECBDHN CCNS(=O)(=O)CCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774240985 579243811 /nfs/dbraw/zinc/24/38/11/579243811.db2.gz TYHSJPNKRUPOPT-NWDGAFQWSA-N 0 3 345.425 0.804 20 5 ECBDHN CN1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](CN)C1 ZINC000834306666 588894862 /nfs/dbraw/zinc/89/48/62/588894862.db2.gz AHZXAPVQNOQVTR-ZDUSSCGKSA-N 0 3 332.364 0.046 20 5 ECBDHN CN(C)c1cc(F)c(C(=O)NCCN(C)CCO)cc1[N+](=O)[O-] ZINC000899737492 586504239 /nfs/dbraw/zinc/50/42/39/586504239.db2.gz JDXHHZKNMGEZEW-UHFFFAOYSA-N 0 3 328.344 0.454 20 5 ECBDHN CC(COC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)[N+](=O)[O-] ZINC000813111827 587248346 /nfs/dbraw/zinc/24/83/46/587248346.db2.gz AMOGMZBMIKVGCB-ZETCQYMHSA-N 0 3 334.288 0.654 20 5 ECBDHN CC(COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813112124 587248426 /nfs/dbraw/zinc/24/84/26/587248426.db2.gz BUZCJEISUJNECJ-VIFPVBQESA-N 0 3 325.277 0.923 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(-n3ccnc3)nc2)c1 ZINC000818951580 587461530 /nfs/dbraw/zinc/46/15/30/587461530.db2.gz KHZVFJFBNDABMN-AWEZNQCLSA-N 0 3 343.347 0.523 20 5 ECBDHN CCNS(=O)(=O)CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819044005 587465330 /nfs/dbraw/zinc/46/53/30/587465330.db2.gz XGTDHFHXRDXMSX-UHFFFAOYSA-N 0 3 344.393 0.452 20 5 ECBDHN O=C([O-])CCC[NH+]1CCC(NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000833772875 588566750 /nfs/dbraw/zinc/56/67/50/588566750.db2.gz DKUGPLWDUMFPHW-UHFFFAOYSA-N 0 3 325.369 0.710 20 5 ECBDHN COc1cc(CCNCCS(C)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000857761589 589703872 /nfs/dbraw/zinc/70/38/72/589703872.db2.gz ZYYPXGGIRYZJHV-UHFFFAOYSA-N 0 3 332.378 0.789 20 5 ECBDHN C[C@H](NC[C@@]12COCCN1C(=O)COC2)c1ccc([N+](=O)[O-])cc1 ZINC000866556025 589750775 /nfs/dbraw/zinc/75/07/75/589750775.db2.gz PPTSFSPPUVJMTM-LRDDRELGSA-N 0 3 335.360 0.873 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CCCCCO)CC1 ZINC000931491916 611545774 /nfs/dbraw/zinc/54/57/74/611545774.db2.gz GUYNEFHQYXWQEI-UHFFFAOYSA-N 0 3 325.413 0.880 20 5 ECBDHN COC[C@@H](C)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000916571128 609942488 /nfs/dbraw/zinc/94/24/88/609942488.db2.gz XXZXUOFNCBJQQY-CYBMUJFWSA-N 0 3 336.392 0.868 20 5 ECBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCN(C)CCO ZINC000912604461 609975734 /nfs/dbraw/zinc/97/57/34/609975734.db2.gz KGTQJXPKRBFCMI-UHFFFAOYSA-N 0 3 325.365 0.990 20 5 ECBDHN COc1cc(C(=O)N(C)CCN(C)CCO)cc([N+](=O)[O-])c1C ZINC000912604887 609975957 /nfs/dbraw/zinc/97/59/57/609975957.db2.gz UYKCUSKVIQXUDY-UHFFFAOYSA-N 0 3 325.365 0.908 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2cccnn2)CC1 ZINC000997113634 743250862 /nfs/dbraw/zinc/25/08/62/743250862.db2.gz JHRGNBFXWINISN-UHFFFAOYSA-N 0 3 345.363 0.513 20 5 ECBDHN Cc1cc(CN2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1C ZINC001001399248 746340656 /nfs/dbraw/zinc/34/06/56/746340656.db2.gz KVDDFPGTGDDOPT-HUUCEWRRSA-N 0 3 335.408 0.722 20 5 ECBDHN COc1ccc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001002784189 747781825 /nfs/dbraw/zinc/78/18/25/747781825.db2.gz ZGYFIKZCPOQORP-ZIAGYGMSSA-N 0 3 334.376 0.836 20 5 ECBDHN Cc1n[nH]c(C(C)C)c1C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001004387672 749454516 /nfs/dbraw/zinc/45/45/16/749454516.db2.gz SJIOHFAPUPALEW-VXGBXAGGSA-N 0 3 349.391 0.695 20 5 ECBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCN(Cc1ccc(F)cn1)C2 ZINC001072721072 788648109 /nfs/dbraw/zinc/64/81/09/788648109.db2.gz BYYKTLVDYZKMHJ-ZIAGYGMSSA-N 0 3 334.351 0.920 20 5 ECBDHN CNC(=O)NCCC(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001266591378 836022277 /nfs/dbraw/zinc/02/22/77/836022277.db2.gz JDVHGEJOPIHYNE-JOCQHMNTSA-N 0 3 349.391 0.651 20 5 ECBDHN NC(=O)c1cccc(CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)c1 ZINC001266591981 836024016 /nfs/dbraw/zinc/02/40/16/836024016.db2.gz DRDJOFWMGYVOKV-HUUCEWRRSA-N 0 3 346.387 0.531 20 5 ECBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(=O)n(C)cn1 ZINC001267386815 837324426 /nfs/dbraw/zinc/32/44/26/837324426.db2.gz WALQBHCBHKMCDP-UHFFFAOYSA-N 0 3 345.359 0.550 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000425550932 210071677 /nfs/dbraw/zinc/07/16/77/210071677.db2.gz PSKNUBBNRVTXFV-DGCLKSJQSA-N 0 3 333.348 0.942 20 5 ECBDHN NC[C@@H](NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000420070632 209297429 /nfs/dbraw/zinc/29/74/29/209297429.db2.gz WTTLXRBKVZYHGT-CQSZACIVSA-N 0 3 348.359 0.038 20 5 ECBDHN COCCNCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000193362287 240133352 /nfs/dbraw/zinc/13/33/52/240133352.db2.gz ZNBBRYYFVCYOMS-UHFFFAOYSA-N 0 3 331.394 0.726 20 5 ECBDHN C[C@H](CN)NC(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000419766044 209200423 /nfs/dbraw/zinc/20/04/23/209200423.db2.gz CTCKQUCHSCBZBU-SSDOTTSWSA-N 0 3 348.281 0.693 20 5 ECBDHN COCCNCCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262658608 245105645 /nfs/dbraw/zinc/10/56/45/245105645.db2.gz MIEGLFAGTIENLV-NSHDSACASA-N 0 3 338.364 0.065 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCO)CCCO ZINC000109798838 204294360 /nfs/dbraw/zinc/29/43/60/204294360.db2.gz OMODXIMMCVGYTJ-UHFFFAOYSA-N 0 3 325.365 0.909 20 5 ECBDHN CCOC(=O)CC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266516035 248340576 /nfs/dbraw/zinc/34/05/76/248340576.db2.gz GKMAJLMNXACKKM-AWEZNQCLSA-N 0 3 340.380 0.817 20 5 ECBDHN CNS(=O)(=O)c1ccc(N2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450774933 211342191 /nfs/dbraw/zinc/34/21/91/211342191.db2.gz ABXCXSKQWYZSFP-IINYFYTJSA-N 0 3 340.405 0.643 20 5 ECBDHN CCc1n[nH]c(C(=O)NC[C@@H](C)N2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000444270196 211064747 /nfs/dbraw/zinc/06/47/47/211064747.db2.gz RQQKGLFZPDYSJV-LLVKDONJSA-N 0 3 338.412 0.636 20 5 ECBDHN CCOC(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174647033 207040801 /nfs/dbraw/zinc/04/08/01/207040801.db2.gz LHLPQDUIXLKGJL-CYBMUJFWSA-N 0 3 326.353 0.427 20 5 ECBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000118866212 221199156 /nfs/dbraw/zinc/19/91/56/221199156.db2.gz DDVUSAOLVFQCHQ-ZDUSSCGKSA-N 0 3 349.391 0.725 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000262024537 165278617 /nfs/dbraw/zinc/27/86/17/165278617.db2.gz GLIDVPYTDUPZOY-AWEZNQCLSA-N 0 3 338.364 0.319 20 5 ECBDHN C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000269653966 263194972 /nfs/dbraw/zinc/19/49/72/263194972.db2.gz UXTOUSNFQNRQCV-ZDUSSCGKSA-N 0 3 336.392 0.993 20 5 ECBDHN Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000269947332 263214087 /nfs/dbraw/zinc/21/40/87/263214087.db2.gz VCLZKIXCSZQHHA-HNNXBMFYSA-N 0 3 338.364 0.271 20 5 ECBDHN CCN(C)CCNc1ccc(C(=O)NCC(=O)OC)cc1[N+](=O)[O-] ZINC000271652329 263320934 /nfs/dbraw/zinc/32/09/34/263320934.db2.gz SIPJAUFHKWMUNO-UHFFFAOYSA-N 0 3 338.364 0.861 20 5 ECBDHN C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000272570940 263352637 /nfs/dbraw/zinc/35/26/37/263352637.db2.gz NAUDPCGDMOWHRY-VXGBXAGGSA-N 0 3 334.376 0.924 20 5 ECBDHN COc1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000272996063 263386595 /nfs/dbraw/zinc/38/65/95/263386595.db2.gz WVVAENMIGPYQEB-UHFFFAOYSA-N 0 3 336.348 0.752 20 5 ECBDHN NC(=O)c1ccc(CN[C@@H]2CCC(=O)NC23CCC3)c([N+](=O)[O-])c1 ZINC000282898458 264068094 /nfs/dbraw/zinc/06/80/94/264068094.db2.gz WSUITEFBCPZIRB-CYBMUJFWSA-N 0 3 332.360 0.985 20 5 ECBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C1CCC(O)CC1 ZINC000286094412 264369295 /nfs/dbraw/zinc/36/92/95/264369295.db2.gz MGNKIBYQHIFEFG-UHFFFAOYSA-N 0 3 343.405 0.766 20 5 ECBDHN CC(C)(C)[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000330715309 437597290 /nfs/dbraw/zinc/59/72/90/437597290.db2.gz SNCFVPFQHBSALB-MGPQQGTHSA-N 0 3 326.397 0.881 20 5 ECBDHN CN(C)CCN1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000338768418 297294451 /nfs/dbraw/zinc/29/44/51/297294451.db2.gz XUVMPVBUOIRVCG-UHFFFAOYSA-N 0 3 338.412 0.232 20 5 ECBDHN CN(C)CCNC(=O)C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000345191530 298128533 /nfs/dbraw/zinc/12/85/33/298128533.db2.gz SIPJVIKQYQVVRZ-UHFFFAOYSA-N 0 3 338.412 0.218 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCOCCN(C)C ZINC000347182592 298416488 /nfs/dbraw/zinc/41/64/88/298416488.db2.gz RJUHCTSDAUDXPW-UHFFFAOYSA-N 0 3 331.394 0.760 20 5 ECBDHN CN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC000353355219 299042172 /nfs/dbraw/zinc/04/21/72/299042172.db2.gz ZZBQELZFKBDASR-OAHLLOKOSA-N 0 3 346.387 0.877 20 5 ECBDHN O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[n-]1 ZINC000354519494 299063373 /nfs/dbraw/zinc/06/33/73/299063373.db2.gz FRFGBNJXVHEGOF-OLZOCXBDSA-N 0 3 345.359 0.683 20 5 ECBDHN O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[n-]1 ZINC000354519494 299063375 /nfs/dbraw/zinc/06/33/75/299063375.db2.gz FRFGBNJXVHEGOF-OLZOCXBDSA-N 0 3 345.359 0.683 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1NCCc2ccccc21 ZINC000375954007 301222796 /nfs/dbraw/zinc/22/27/96/301222796.db2.gz MSDQOLNISSNIOE-OAHLLOKOSA-N 0 3 342.355 0.760 20 5 ECBDHN CN1CCC(O)(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000077450248 436238376 /nfs/dbraw/zinc/23/83/76/436238376.db2.gz NXBUDFOVYMLYNM-UHFFFAOYSA-N 0 3 337.376 0.912 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CNCCO2)c1 ZINC000420479393 301467442 /nfs/dbraw/zinc/46/74/42/301467442.db2.gz MVMRYLDZXUWAMC-LLVKDONJSA-N 0 3 329.378 0.478 20 5 ECBDHN CN(CC(=O)NCCCN1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000079326198 436296073 /nfs/dbraw/zinc/29/60/73/436296073.db2.gz ZNLCJQJLJDLQQC-UHFFFAOYSA-N 0 3 349.435 0.785 20 5 ECBDHN CC(C)N1CCN([C@@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000530665365 302022508 /nfs/dbraw/zinc/02/25/08/302022508.db2.gz CWMSPLCYHFJQIJ-OAHLLOKOSA-N 0 3 336.440 0.892 20 5 ECBDHN CN(C)CCN1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000114676216 436643166 /nfs/dbraw/zinc/64/31/66/436643166.db2.gz SFHCSUJRACIHDM-UHFFFAOYSA-N 0 3 335.408 0.713 20 5 ECBDHN CCCc1n[nH]c(C(=O)N2CCN(c3ncc[nH]3)CC2)c1[N+](=O)[O-] ZINC000548718272 302323360 /nfs/dbraw/zinc/32/33/60/302323360.db2.gz NYYVNNHUYDCAIR-UHFFFAOYSA-N 0 3 333.352 0.956 20 5 ECBDHN CCCc1n[n-]c(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000548718272 302323364 /nfs/dbraw/zinc/32/33/64/302323364.db2.gz NYYVNNHUYDCAIR-UHFFFAOYSA-N 0 3 333.352 0.956 20 5 ECBDHN CCc1ccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000552082656 302383859 /nfs/dbraw/zinc/38/38/59/302383859.db2.gz ZNROKUVWDVRSLC-NSHDSACASA-N 0 3 336.392 0.953 20 5 ECBDHN Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000151620101 436707715 /nfs/dbraw/zinc/70/77/15/436707715.db2.gz XTFKDXSXYCMEKM-GFCCVEGCSA-N 0 3 336.396 0.380 20 5 ECBDHN C[C@@H](NCCC(=O)N1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293958574 436923287 /nfs/dbraw/zinc/92/32/87/436923287.db2.gz ZUTDDBRPJIUNFC-GFCCVEGCSA-N 0 3 335.408 0.992 20 5 ECBDHN CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000263653198 436972657 /nfs/dbraw/zinc/97/26/57/436972657.db2.gz FEBXLRXLISICKD-GFCCVEGCSA-N 0 3 337.380 0.595 20 5 ECBDHN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000263653198 436972658 /nfs/dbraw/zinc/97/26/58/436972658.db2.gz FEBXLRXLISICKD-GFCCVEGCSA-N 0 3 337.380 0.595 20 5 ECBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000263653198 436972660 /nfs/dbraw/zinc/97/26/60/436972660.db2.gz FEBXLRXLISICKD-GFCCVEGCSA-N 0 3 337.380 0.595 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(CCCO)C1 ZINC000295624116 436975568 /nfs/dbraw/zinc/97/55/68/436975568.db2.gz YXBUJUXVUJVOQT-CYBMUJFWSA-N 0 3 337.376 0.937 20 5 ECBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000171565809 436980713 /nfs/dbraw/zinc/98/07/13/436980713.db2.gz RMXAEKHOQZFJOE-LBPRGKRZSA-N 0 3 339.396 0.820 20 5 ECBDHN O=C([C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000174814561 437087782 /nfs/dbraw/zinc/08/77/82/437087782.db2.gz AFUMBQGOXYJXIV-ZDUSSCGKSA-N 0 3 337.380 0.362 20 5 ECBDHN COC[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178006923 437203371 /nfs/dbraw/zinc/20/33/71/437203371.db2.gz XXUZEDYBWVTUQV-CQSZACIVSA-N 0 3 343.405 0.888 20 5 ECBDHN COCCNC(=O)[C@H]1CC[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267113679 437292754 /nfs/dbraw/zinc/29/27/54/437292754.db2.gz YFTXXUCWQWVPIY-OLZOCXBDSA-N 0 3 339.396 0.654 20 5 ECBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000278937416 437359274 /nfs/dbraw/zinc/35/92/74/437359274.db2.gz XATUDOXKWICLLN-GFCCVEGCSA-N 0 3 337.380 0.503 20 5 ECBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2CCN(CCO)CC2)c1 ZINC000185829457 437454368 /nfs/dbraw/zinc/45/43/68/437454368.db2.gz DAICBMOORVALPL-UHFFFAOYSA-N 0 3 343.405 0.577 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)C[C@@H](C)O ZINC000290014237 437457068 /nfs/dbraw/zinc/45/70/68/437457068.db2.gz ZZHNKSSWJGDFNZ-GFCCVEGCSA-N 0 3 325.365 0.907 20 5 ECBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356458839 437767882 /nfs/dbraw/zinc/76/78/82/437767882.db2.gz PUKLYNVIEIOANC-LBPRGKRZSA-N 0 3 338.412 0.332 20 5 ECBDHN CC1CCN(C[C@@H](O)CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357236781 437939664 /nfs/dbraw/zinc/93/96/64/437939664.db2.gz UNUWRAFLELHLIJ-NSHDSACASA-N 0 3 337.380 0.593 20 5 ECBDHN CN(C[C@@H](O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C1CC1 ZINC000357433037 437987090 /nfs/dbraw/zinc/98/70/90/437987090.db2.gz CMUFUDYQCFDZLB-CYBMUJFWSA-N 0 3 334.332 0.867 20 5 ECBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1NCCc2ccccc21 ZINC000417910738 438090461 /nfs/dbraw/zinc/09/04/61/438090461.db2.gz LTAMIPMEUWMGJP-HNNXBMFYSA-N 0 3 344.375 0.978 20 5 ECBDHN CCN1CCN(CCCCNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000358023702 438126157 /nfs/dbraw/zinc/12/61/57/438126157.db2.gz JMEJYWAHJOQJQM-UHFFFAOYSA-N 0 3 338.412 0.774 20 5 ECBDHN O=c1[nH]c(NC[C@@H]2CN3CCC[C@H]3CO2)nc2ccc([N+](=O)[O-])cc21 ZINC000367714637 438240888 /nfs/dbraw/zinc/24/08/88/438240888.db2.gz DBOYNLZKGZREHX-NWDGAFQWSA-N 0 3 345.359 1.519 20 5 ECBDHN C[C@H](CN)N(C)C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418817511 438199589 /nfs/dbraw/zinc/19/95/89/438199589.db2.gz SJHGRBZREHUNKC-SECBINFHSA-N 0 3 342.783 0.713 20 5 ECBDHN C[C@H]1NCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000434665016 438312419 /nfs/dbraw/zinc/31/24/19/438312419.db2.gz MLYMTTRRZSJCQC-NEPJUHHUSA-N 0 3 349.391 0.603 20 5 ECBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@@H](O)C[C@@H]1CO ZINC000352022994 438372861 /nfs/dbraw/zinc/37/28/61/438372861.db2.gz STFKPOYODNKEKV-NEPJUHHUSA-N 0 3 337.332 0.320 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000378310723 438373719 /nfs/dbraw/zinc/37/37/19/438373719.db2.gz GPDNCJZEJPCIOA-CQSZACIVSA-N 0 3 334.376 0.610 20 5 ECBDHN CC(C)N1CCN([C@@H]2CCN(Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000370047681 438547104 /nfs/dbraw/zinc/54/71/04/438547104.db2.gz ZJUNXVOYNBASDO-CQSZACIVSA-N 0 3 336.440 0.929 20 5 ECBDHN CCO[C@@H]1COC[C@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451949297 438619866 /nfs/dbraw/zinc/61/98/66/438619866.db2.gz WNVWCZMCNBOMGE-YWPYICTPSA-N 0 3 326.349 0.728 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1CCO ZINC000452387307 438660622 /nfs/dbraw/zinc/66/06/22/438660622.db2.gz GVBDFUDGIPTKJW-ZDUSSCGKSA-N 0 3 337.376 0.937 20 5 ECBDHN CN1CCC[C@@H](N2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)C1 ZINC000587979564 438811965 /nfs/dbraw/zinc/81/19/65/438811965.db2.gz JKHWNGDJXMYRNP-CQSZACIVSA-N 0 3 349.435 0.886 20 5 ECBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)Cc1ccccc1 ZINC000595598779 438831021 /nfs/dbraw/zinc/83/10/21/438831021.db2.gz WPQZEFMDKXGSQV-ZBFHGGJFSA-N 0 3 334.376 0.688 20 5 ECBDHN CCOC(=O)c1cc(C(=O)N[C@@H](CO)CN(C)C)cc([N+](=O)[O-])c1 ZINC000588866207 438845225 /nfs/dbraw/zinc/84/52/25/438845225.db2.gz HPMDFEIUORDITB-GFCCVEGCSA-N 0 3 339.348 0.424 20 5 ECBDHN C[C@@H]([NH3+])C[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000578133824 438898564 /nfs/dbraw/zinc/89/85/64/438898564.db2.gz VJOXZSLNEGMMKU-ZJUUUORDSA-N 0 3 344.393 0.115 20 5 ECBDHN CN1C[C@@H]2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[C@@H]2C1 ZINC000590044078 438900078 /nfs/dbraw/zinc/90/00/78/438900078.db2.gz GNLZRIIGGCAQIT-XHDPSFHLSA-N 0 3 342.359 0.952 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](CO)CN(C)C)c1 ZINC000590548968 438930141 /nfs/dbraw/zinc/93/01/41/438930141.db2.gz JBQUCRSGEOELFT-GFCCVEGCSA-N 0 3 325.365 0.711 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@](O)(CO)C2)c1 ZINC000459652097 438983565 /nfs/dbraw/zinc/98/35/65/438983565.db2.gz QBQQNWBPJIQAQE-ZFWWWQNUSA-N 0 3 326.349 0.154 20 5 ECBDHN COc1ccc(CNC(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000518496559 439000687 /nfs/dbraw/zinc/00/06/87/439000687.db2.gz QMPDGUZZBOTKQQ-GFCCVEGCSA-N 0 3 337.380 0.388 20 5 ECBDHN CC(C)(CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000591749651 439080644 /nfs/dbraw/zinc/08/06/44/439080644.db2.gz GTVHQIURZOQAGN-GFCCVEGCSA-N 0 3 346.405 0.747 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H]1COC[C@H]1OC ZINC000592154748 439168894 /nfs/dbraw/zinc/16/88/94/439168894.db2.gz WMXZYMMUYZWRMM-TZMCWYRMSA-N 0 3 339.348 0.935 20 5 ECBDHN CN(C)S(=O)(=O)N1CC(NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602731237 439130121 /nfs/dbraw/zinc/13/01/21/439130121.db2.gz TWQHOIIATGJSQP-UHFFFAOYSA-N 0 3 328.394 0.218 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000602819123 439139610 /nfs/dbraw/zinc/13/96/10/439139610.db2.gz ZBUPOSWERKLXDP-GFCCVEGCSA-N 0 3 325.413 0.877 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000597653497 439150616 /nfs/dbraw/zinc/15/06/16/439150616.db2.gz JZYWCZAFMTUFRC-SECBINFHSA-N 0 3 325.321 0.018 20 5 ECBDHN C[C@@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000567605258 439156661 /nfs/dbraw/zinc/15/66/61/439156661.db2.gz KUHNCCNRNQSONB-JQWIXIFHSA-N 0 3 332.378 0.357 20 5 ECBDHN O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000597989684 439207536 /nfs/dbraw/zinc/20/75/36/439207536.db2.gz HIGMGAIIVCDVOO-CYBMUJFWSA-N 0 3 345.359 0.815 20 5 ECBDHN O=C(NC[C@H]1CNCCO1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592567092 439256794 /nfs/dbraw/zinc/25/67/94/439256794.db2.gz RJWBGSMPQQMEEY-CQSZACIVSA-N 0 3 348.403 0.916 20 5 ECBDHN COc1cc(C(=O)NC[C@@]2(O)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000568647581 439267540 /nfs/dbraw/zinc/26/75/40/439267540.db2.gz SXEYGBHKXMLZCN-MRXNPFEDSA-N 0 3 335.360 0.790 20 5 ECBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915740 439327240 /nfs/dbraw/zinc/32/72/40/439327240.db2.gz NSVKYCPYVRPCFW-SKDRFNHKSA-N 0 3 336.348 0.763 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000592875083 439294162 /nfs/dbraw/zinc/29/41/62/439294162.db2.gz WDRFYRWAVWZAJK-SNVBAGLBSA-N 0 3 335.364 0.369 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000592878921 439294675 /nfs/dbraw/zinc/29/46/75/439294675.db2.gz IMMMNTQXAGUCEZ-LBPRGKRZSA-N 0 3 349.391 0.585 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592899954 439300196 /nfs/dbraw/zinc/30/01/96/439300196.db2.gz WBARUCZIBKAWGE-UHFFFAOYSA-N 0 3 337.380 0.423 20 5 ECBDHN [NH3+]CCCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599110215 439362307 /nfs/dbraw/zinc/36/23/07/439362307.db2.gz LETBPYOOOSSELW-UHFFFAOYSA-N 0 3 337.785 0.892 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCCC[NH3+])cc1C ZINC000599110198 439362517 /nfs/dbraw/zinc/36/25/17/439362517.db2.gz KMVDNIJAZYSQDO-UHFFFAOYSA-N 0 3 331.394 0.855 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1=O ZINC000593234577 439354642 /nfs/dbraw/zinc/35/46/42/439354642.db2.gz KCHGVBWWUVRNTF-UHFFFAOYSA-N 0 3 338.339 0.580 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)nc1 ZINC000593532466 439395794 /nfs/dbraw/zinc/39/57/94/439395794.db2.gz WLVWEHKPRQWWRV-JTQLQIEISA-N 0 3 326.378 0.752 20 5 ECBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000599245851 439396979 /nfs/dbraw/zinc/39/69/79/439396979.db2.gz YHIXJNKRAGBPRI-MNOVXSKESA-N 0 3 345.425 0.822 20 5 ECBDHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599325636 439435172 /nfs/dbraw/zinc/43/51/72/439435172.db2.gz ICFWKIFMBCGSKS-UHFFFAOYSA-N 0 3 345.425 0.823 20 5 ECBDHN Cn1cc([C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@H]2N)cn1 ZINC000570710147 439444826 /nfs/dbraw/zinc/44/48/26/439444826.db2.gz KBWVGMPGMLDFNB-LSDHHAIUSA-N 0 3 344.375 0.965 20 5 ECBDHN CN(C)C/C=C\C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491923314 439474003 /nfs/dbraw/zinc/47/40/03/439474003.db2.gz CVMGZMXGAJPEPO-ARJAWSKDSA-N 0 3 346.387 0.997 20 5 ECBDHN O=C1[C@@H](N2CCN3C[C@H](O)C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000594025167 439508924 /nfs/dbraw/zinc/50/89/24/439508924.db2.gz CCERTMHSBPCPMW-XHSDSOJGSA-N 0 3 346.387 0.451 20 5 ECBDHN Cc1c(NC(=O)[C@H](C)N2CCN3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594026461 439509561 /nfs/dbraw/zinc/50/95/61/439509561.db2.gz CKWJKPYIENJTQI-MELADBBJSA-N 0 3 348.403 0.981 20 5 ECBDHN CN1CCC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609257707 439555524 /nfs/dbraw/zinc/55/55/24/439555524.db2.gz ITCQHIRDMZKUPE-ZDUSSCGKSA-N 0 3 349.391 0.604 20 5 ECBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599938518 439580938 /nfs/dbraw/zinc/58/09/38/439580938.db2.gz CKHOHOSNAYVOLF-KBPBESRZSA-N 0 3 337.351 0.944 20 5 ECBDHN N[C@H]1C[C@@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])CCN2C1=O ZINC000594702799 439593798 /nfs/dbraw/zinc/59/37/98/439593798.db2.gz ZVIIOAJUZJTIFO-PWSUYJOCSA-N 0 3 327.344 0.891 20 5 ECBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000610262215 439606298 /nfs/dbraw/zinc/60/62/98/439606298.db2.gz PPBUORKWKPRFSD-WDEREUQCSA-N 0 3 326.378 0.895 20 5 ECBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000610262215 439606300 /nfs/dbraw/zinc/60/63/00/439606300.db2.gz PPBUORKWKPRFSD-WDEREUQCSA-N 0 3 326.378 0.895 20 5 ECBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000610262214 439607369 /nfs/dbraw/zinc/60/73/69/439607369.db2.gz PPBUORKWKPRFSD-QWRGUYRKSA-N 0 3 326.378 0.895 20 5 ECBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000610262214 439607373 /nfs/dbraw/zinc/60/73/73/439607373.db2.gz PPBUORKWKPRFSD-QWRGUYRKSA-N 0 3 326.378 0.895 20 5 ECBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594878128 439637326 /nfs/dbraw/zinc/63/73/26/439637326.db2.gz OFOZMRLDFNQHKF-STQMWFEESA-N 0 3 346.387 0.904 20 5 ECBDHN COc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595122362 439656719 /nfs/dbraw/zinc/65/67/19/439656719.db2.gz WUOYWKIFNFDSDS-NXEZZACHSA-N 0 3 333.341 0.663 20 5 ECBDHN N[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260624 439683494 /nfs/dbraw/zinc/68/34/94/439683494.db2.gz GFMYLTJNBXPPFM-GHMZBOCLSA-N 0 3 334.311 0.687 20 5 ECBDHN CC(C)[C@](C)(NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000289334807 320665105 /nfs/dbraw/zinc/66/51/05/320665105.db2.gz LHIWEGMGYHZTDW-ABAIWWIYSA-N 0 3 325.365 0.824 20 5 ECBDHN CC(C)C[C@@H](Nc1c([N+](=O)[O-])ncn1C)C(=O)NCCN(C)C ZINC000340080933 321014745 /nfs/dbraw/zinc/01/47/45/321014745.db2.gz VXMRDONGAXUGBR-LLVKDONJSA-N 0 3 326.401 0.833 20 5 ECBDHN C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000356369831 321528383 /nfs/dbraw/zinc/52/83/83/321528383.db2.gz FPLZAOOGLNANIH-VXGBXAGGSA-N 0 3 349.391 0.603 20 5 ECBDHN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000548163307 322150030 /nfs/dbraw/zinc/15/00/30/322150030.db2.gz BLGFCCSSEYLWCO-UHFFFAOYSA-N 0 3 345.363 0.727 20 5 ECBDHN N[C@H]1C[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CCN2C1=O ZINC000563430833 322317459 /nfs/dbraw/zinc/31/74/59/322317459.db2.gz BAASCBRXPXJOTJ-NEPJUHHUSA-N 0 3 327.344 0.891 20 5 ECBDHN O=C(CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000564670400 322386625 /nfs/dbraw/zinc/38/66/25/322386625.db2.gz OXYFJLVXCJGVGG-AWEZNQCLSA-N 0 3 337.376 0.937 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000569454767 322653953 /nfs/dbraw/zinc/65/39/53/322653953.db2.gz WRDZICCWZAWTNI-UHFFFAOYSA-N 0 3 331.336 0.683 20 5 ECBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)NC1CNC1 ZINC000573461011 322762291 /nfs/dbraw/zinc/76/22/91/322762291.db2.gz DTEKQHBNVJOELU-UHFFFAOYSA-N 0 3 330.247 0.223 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CO)Cc2cccnc2)c1 ZINC000574813262 322785761 /nfs/dbraw/zinc/78/57/61/322785761.db2.gz WIJHMKLBRNQLBS-GDBMZVCRSA-N 0 3 347.371 0.923 20 5 ECBDHN Cc1nn(C)c(C(=O)N2CCC[C@](O)(CN(C)C)C2)c1[N+](=O)[O-] ZINC000619253750 546311229 /nfs/dbraw/zinc/31/12/29/546311229.db2.gz FGZQQGOIOQWFFE-AWEZNQCLSA-N 0 3 325.369 0.165 20 5 ECBDHN CN(C[C@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736856034 578457941 /nfs/dbraw/zinc/45/79/41/578457941.db2.gz KJEHERNJIDIZIF-JTQLQIEISA-N 0 3 332.368 0.948 20 5 ECBDHN CN(C[C@H]1CCC[N@@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736856034 578457942 /nfs/dbraw/zinc/45/79/42/578457942.db2.gz KJEHERNJIDIZIF-JTQLQIEISA-N 0 3 332.368 0.948 20 5 ECBDHN CN(C[C@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736856034 578457943 /nfs/dbraw/zinc/45/79/43/578457943.db2.gz KJEHERNJIDIZIF-JTQLQIEISA-N 0 3 332.368 0.948 20 5 ECBDHN CN(C[C@H]1CCC[N@@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736856034 578457944 /nfs/dbraw/zinc/45/79/44/578457944.db2.gz KJEHERNJIDIZIF-JTQLQIEISA-N 0 3 332.368 0.948 20 5 ECBDHN CN(C)C[C@H](O)CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000763322090 579558795 /nfs/dbraw/zinc/55/87/95/579558795.db2.gz JGEDOWHVKFVIDA-SNVBAGLBSA-N 0 3 346.409 0.180 20 5 ECBDHN CN(CCO)CCN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000894590920 586401764 /nfs/dbraw/zinc/40/17/64/586401764.db2.gz ILSWYTYLLZEKAW-UHFFFAOYSA-N 0 3 336.392 0.847 20 5 ECBDHN CC(COC(=O)CSc1nnnn1CC(F)(F)F)[N+](=O)[O-] ZINC000813112600 587248611 /nfs/dbraw/zinc/24/86/11/587248611.db2.gz JDIUGSSIPQCHOV-YFKPBYRVSA-N 0 3 329.260 0.536 20 5 ECBDHN COCc1nc2n(n1)C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000819154186 587470585 /nfs/dbraw/zinc/47/05/85/587470585.db2.gz OUSZDZVMATXTHC-OCCSQVGLSA-N 0 3 347.375 0.971 20 5 ECBDHN CN(C)CCN1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823970474 587846453 /nfs/dbraw/zinc/84/64/53/587846453.db2.gz DBVDWRDBGJZZHS-HNNXBMFYSA-N 0 3 336.392 0.334 20 5 ECBDHN CC([C@H](OC(=O)CN(C)S(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874724 589173836 /nfs/dbraw/zinc/17/38/36/589173836.db2.gz JVTHRAWIXMITKG-ZANVPECISA-N 0 3 348.352 0.967 20 5 ECBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848766957 589310207 /nfs/dbraw/zinc/31/02/07/589310207.db2.gz BWPIDYRGWMHDKP-UONOGXRCSA-N 0 3 346.387 0.742 20 5 ECBDHN C[C@@H](N)CN(C)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000861616108 589867619 /nfs/dbraw/zinc/86/76/19/589867619.db2.gz AYFMHYKEWXTKCX-SNVBAGLBSA-N 0 3 344.393 0.357 20 5 ECBDHN CON(C)C(=O)[C@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000863588057 590026047 /nfs/dbraw/zinc/02/60/47/590026047.db2.gz ZOPPURIHHCLPFK-CMPLNLGQSA-N 0 3 327.337 0.332 20 5 ECBDHN C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1c1ccncc1 ZINC000881634475 590462374 /nfs/dbraw/zinc/46/23/74/590462374.db2.gz BXMOUJAZJMURAW-GFCCVEGCSA-N 0 3 330.348 0.924 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)[C@H](CO)C1 ZINC000931405176 611537076 /nfs/dbraw/zinc/53/70/76/611537076.db2.gz HCQMPSHEASKPOD-AWEZNQCLSA-N 0 3 336.392 0.840 20 5 ECBDHN Cc1ccc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)c(=O)[nH]1 ZINC001167331087 733795562 /nfs/dbraw/zinc/79/55/62/733795562.db2.gz RJOBMVUIEOVFIF-UHFFFAOYSA-N 0 3 348.363 0.647 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CN1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000982039069 751521965 /nfs/dbraw/zinc/52/19/65/751521965.db2.gz ZDFYQPWTWFJBLK-UHFFFAOYSA-N 0 3 347.379 0.328 20 5 ECBDHN Cc1n[nH]nc1C(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000996869752 742972041 /nfs/dbraw/zinc/97/20/41/742972041.db2.gz HOQMACAXZSGYNQ-UHFFFAOYSA-N 0 3 348.367 0.149 20 5 ECBDHN Cc1n[nH]c(C(C)C)c1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000999731978 744875422 /nfs/dbraw/zinc/87/54/22/744875422.db2.gz BFRSCVANGYDFDG-GHMZBOCLSA-N 0 3 335.364 0.447 20 5 ECBDHN Cc1cc(CN2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)ncn1 ZINC000981764828 751076811 /nfs/dbraw/zinc/07/68/11/751076811.db2.gz FNJQAJNRPBKWDX-HUUCEWRRSA-N 0 3 345.403 0.875 20 5 ECBDHN CNC(=O)C1(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001267439962 837417387 /nfs/dbraw/zinc/41/73/87/837417387.db2.gz ATZSMAILFIDCRS-UHFFFAOYSA-N 0 3 334.376 0.669 20 5 ECBDHN CNC(=O)C1(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001267440256 837418853 /nfs/dbraw/zinc/41/88/53/837418853.db2.gz NBHVSVKJUVXXFY-UHFFFAOYSA-N 0 3 334.376 0.669 20 5 ECBDHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000041718261 201094483 /nfs/dbraw/zinc/09/44/83/201094483.db2.gz VLSOUPYHIUGERN-UHFFFAOYSA-N 0 3 349.391 0.287 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363759420 204087082 /nfs/dbraw/zinc/08/70/82/204087082.db2.gz VEOGUHKYVRHELM-STQMWFEESA-N 0 3 335.360 0.953 20 5 ECBDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264241453 246232041 /nfs/dbraw/zinc/23/20/41/246232041.db2.gz CINRLAFSYQBBQG-UHFFFAOYSA-N 0 3 338.364 0.570 20 5 ECBDHN C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)CN1CCN(C)CC1 ZINC000265109697 247211543 /nfs/dbraw/zinc/21/15/43/247211543.db2.gz KBTHFANANCJTFZ-CYBMUJFWSA-N 0 3 338.412 0.181 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CO)[C@@H]2CCCO2)c1 ZINC000447922341 211218019 /nfs/dbraw/zinc/21/80/19/211218019.db2.gz OSGNIPQQAREULX-YUELXQCFSA-N 0 3 326.349 0.464 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000176137536 207194020 /nfs/dbraw/zinc/19/40/20/207194020.db2.gz NOBKENHNJFGCEV-BETUJISGSA-N 0 3 339.396 0.797 20 5 ECBDHN CC[C@H](COC)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178006702 207429894 /nfs/dbraw/zinc/42/98/94/207429894.db2.gz FROHARPEKICJAA-LLVKDONJSA-N 0 3 331.394 0.888 20 5 ECBDHN C[NH2+]CCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262773809 165385023 /nfs/dbraw/zinc/38/50/23/165385023.db2.gz WSLZLSGCIIGPEY-UHFFFAOYSA-N 0 3 331.350 0.254 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000262809486 165389513 /nfs/dbraw/zinc/38/95/13/165389513.db2.gz XTWYBKATUNOLSC-GXSJLCMTSA-N 0 3 329.378 0.880 20 5 ECBDHN COc1ccc(CNC(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000269840981 263207903 /nfs/dbraw/zinc/20/79/03/263207903.db2.gz BRDQDXVUXXSPLX-HNNXBMFYSA-N 0 3 340.380 0.715 20 5 ECBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000271025095 263293705 /nfs/dbraw/zinc/29/37/05/263293705.db2.gz OMSPJRDCYXDKHN-LBPRGKRZSA-N 0 3 336.392 0.945 20 5 ECBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000286260204 264383784 /nfs/dbraw/zinc/38/37/84/264383784.db2.gz FMFGETACKWMYLA-STQMWFEESA-N 0 3 337.380 0.503 20 5 ECBDHN C[C@@H](CN(C)C)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000286861263 264429327 /nfs/dbraw/zinc/42/93/27/264429327.db2.gz CENRRAVDEGICIF-VIFPVBQESA-N 0 3 334.332 0.257 20 5 ECBDHN C[NH+]1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])[n-]3)cn2)CC1 ZINC000298847799 265287503 /nfs/dbraw/zinc/28/75/03/265287503.db2.gz LPYPYGLFVNRGQG-UHFFFAOYSA-N 0 3 344.375 1.000 20 5 ECBDHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423729021 279290147 /nfs/dbraw/zinc/29/01/47/279290147.db2.gz WOGJOIMNTXENQG-GFCCVEGCSA-N 0 3 349.391 0.049 20 5 ECBDHN CN(C)CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000359610354 299870427 /nfs/dbraw/zinc/87/04/27/299870427.db2.gz ZPDNHVUCRHNHAI-NSHDSACASA-N 0 3 338.364 0.812 20 5 ECBDHN O=C(CN[C@H](CO)C1CCOCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000359882093 299907495 /nfs/dbraw/zinc/90/74/95/299907495.db2.gz YCSMZFVNSSUOOM-OAHLLOKOSA-N 0 3 349.387 0.861 20 5 ECBDHN C[C@@H]1[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCCN1C ZINC000344603115 298041406 /nfs/dbraw/zinc/04/14/06/298041406.db2.gz QBVHEKOYAXAONF-RISCZKNCSA-N 0 3 334.376 0.924 20 5 ECBDHN Cc1c(C(=O)NC[C@@H]2C[C@H](F)CN2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000368648594 300676337 /nfs/dbraw/zinc/67/63/37/300676337.db2.gz VXEWRSXVUDCDLJ-QWRGUYRKSA-N 0 3 348.338 0.914 20 5 ECBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(C[C@@H](O)CN3CCOCC3)C2)c1 ZINC000373584359 301068738 /nfs/dbraw/zinc/06/87/38/301068738.db2.gz LAGNBIVJCVEZEU-ZFWWWQNUSA-N 0 3 339.396 0.121 20 5 ECBDHN COC(=O)CNC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376036297 301230107 /nfs/dbraw/zinc/23/01/07/301230107.db2.gz XNLTUSJPLASMIP-UHFFFAOYSA-N 0 3 339.352 0.108 20 5 ECBDHN CC(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000042230921 436297894 /nfs/dbraw/zinc/29/78/94/436297894.db2.gz GAYQCEUVFVONEC-LLVKDONJSA-N 0 3 341.389 0.677 20 5 ECBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000514799989 301618607 /nfs/dbraw/zinc/61/86/07/301618607.db2.gz ZQSCRSYXRRBLER-LERXQTSPSA-N 0 3 347.375 0.166 20 5 ECBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C2CC2)C1 ZINC000057553411 436613375 /nfs/dbraw/zinc/61/33/75/436613375.db2.gz CLIOQINIPPIBOE-GFCCVEGCSA-N 0 3 332.360 0.678 20 5 ECBDHN COC(=O)CCN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCO1 ZINC000530665370 302022192 /nfs/dbraw/zinc/02/21/92/302022192.db2.gz DMCHPGYGGQNMGH-LBPRGKRZSA-N 0 3 326.353 0.835 20 5 ECBDHN CN1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067134338 436705833 /nfs/dbraw/zinc/70/58/33/436705833.db2.gz LXEHVMXETWVQOZ-UHFFFAOYSA-N 0 3 330.348 1.000 20 5 ECBDHN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H](C)C1 ZINC000126234879 436784000 /nfs/dbraw/zinc/78/40/00/436784000.db2.gz ITBJARPKCWUNIX-STQMWFEESA-N 0 3 336.392 0.993 20 5 ECBDHN C[C@@H]1CC[C@@H](C(N)=O)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248438521 436801653 /nfs/dbraw/zinc/80/16/53/436801653.db2.gz BYCGSGGSJHLJCP-JHJVBQTASA-N 0 3 337.376 0.920 20 5 ECBDHN CCN(CCO)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000274533151 436839624 /nfs/dbraw/zinc/83/96/24/436839624.db2.gz JEPITGBVRILRQD-UHFFFAOYSA-N 0 3 339.348 0.410 20 5 ECBDHN CCOCCO[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000157646892 436831995 /nfs/dbraw/zinc/83/19/95/436831995.db2.gz XTCXBTDBCNTZCH-KGLIPLIRSA-N 0 3 328.369 0.280 20 5 ECBDHN COC(=O)c1cn(CCNCc2ccc(OC)c([N+](=O)[O-])c2)nn1 ZINC000284085316 437036794 /nfs/dbraw/zinc/03/67/94/437036794.db2.gz RJSAUQAQUSYXGE-UHFFFAOYSA-N 0 3 335.320 0.771 20 5 ECBDHN CCc1n[nH]c(C(=O)NCCCN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000263948809 437007228 /nfs/dbraw/zinc/00/72/28/437007228.db2.gz WRCAJRIMHXBREG-UHFFFAOYSA-N 0 3 338.412 0.638 20 5 ECBDHN CN1CCC(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000299290801 437067909 /nfs/dbraw/zinc/06/79/09/437067909.db2.gz IXLOCMNDBGSDHY-UHFFFAOYSA-N 0 3 346.343 0.401 20 5 ECBDHN CN(CCN1CCOCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264824471 437090701 /nfs/dbraw/zinc/09/07/01/437090701.db2.gz FDDQORHVIIFIGK-OAHLLOKOSA-N 0 3 339.392 0.599 20 5 ECBDHN Cn1nccc1[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331414551 437091947 /nfs/dbraw/zinc/09/19/47/437091947.db2.gz BZKDVMPAHYSMIM-JSGCOSHPSA-N 0 3 334.380 0.765 20 5 ECBDHN COc1ccc(C(=O)NCC(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000287229163 437171512 /nfs/dbraw/zinc/17/15/12/437171512.db2.gz PEFUVISZNDQHGQ-JTQLQIEISA-N 0 3 338.364 0.400 20 5 ECBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000331885294 437174777 /nfs/dbraw/zinc/17/47/77/437174777.db2.gz DLIYRCZJRKNFKR-STQMWFEESA-N 0 3 334.376 0.842 20 5 ECBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@@H]2CCSC2)c1 ZINC000178004685 437202921 /nfs/dbraw/zinc/20/29/21/437202921.db2.gz MOJRNZFZRPKTNY-SNVBAGLBSA-N 0 3 331.419 0.968 20 5 ECBDHN C[C@@H]1CN(CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000278379738 437308999 /nfs/dbraw/zinc/30/89/99/437308999.db2.gz CHUGVGHVOBQONR-GFCCVEGCSA-N 0 3 325.369 0.408 20 5 ECBDHN CN1CCN(CCC(C)(C)NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000184174372 437399750 /nfs/dbraw/zinc/39/97/50/437399750.db2.gz PNJSYYRITCVCQL-UHFFFAOYSA-N 0 3 338.412 0.324 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]C[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000339047898 437438282 /nfs/dbraw/zinc/43/82/82/437438282.db2.gz HMSRPOTYSHELKJ-JTQLQIEISA-N 0 3 343.409 0.574 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]C[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000339047898 437438286 /nfs/dbraw/zinc/43/82/86/437438286.db2.gz HMSRPOTYSHELKJ-JTQLQIEISA-N 0 3 343.409 0.574 20 5 ECBDHN Cc1ccc(CNCC2(O)CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000330513559 437534756 /nfs/dbraw/zinc/53/47/56/437534756.db2.gz CMWZWBZEXCBRAI-UHFFFAOYSA-N 0 3 328.390 0.933 20 5 ECBDHN COc1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)cc1[N+](=O)[O-] ZINC000343217901 437537794 /nfs/dbraw/zinc/53/77/94/437537794.db2.gz AYIMXXPRIMTEFV-AWEZNQCLSA-N 0 3 334.376 0.610 20 5 ECBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000356466607 437768896 /nfs/dbraw/zinc/76/88/96/437768896.db2.gz XYFSWZLOOUOBNP-UHFFFAOYSA-N 0 3 337.380 0.703 20 5 ECBDHN C[C@@H](CO)N1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364922634 437825503 /nfs/dbraw/zinc/82/55/03/437825503.db2.gz OEYOGDPGTDRVHD-ZDUSSCGKSA-N 0 3 337.376 0.889 20 5 ECBDHN CC(C)N1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000363922507 437809164 /nfs/dbraw/zinc/80/91/64/437809164.db2.gz QLVXQTFNSDPJSF-GFCCVEGCSA-N 0 3 335.412 0.572 20 5 ECBDHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423844690 437841337 /nfs/dbraw/zinc/84/13/37/437841337.db2.gz MBSHYCYJXKYONB-ZDUSSCGKSA-N 0 3 342.783 0.964 20 5 ECBDHN CN(C)CCOCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000347173715 437848304 /nfs/dbraw/zinc/84/83/04/437848304.db2.gz IUYMGENMVZQUMR-UHFFFAOYSA-N 0 3 331.394 0.592 20 5 ECBDHN CC(=O)NCC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000347647792 437923830 /nfs/dbraw/zinc/92/38/30/437923830.db2.gz PLRMQZYWFJOVEX-CQSZACIVSA-N 0 3 336.392 0.995 20 5 ECBDHN COc1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000424228724 437906929 /nfs/dbraw/zinc/90/69/29/437906929.db2.gz UGRNWKAQJFTHCO-QWHCGFSZSA-N 0 3 345.359 0.904 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN(C)C ZINC000357600140 438021626 /nfs/dbraw/zinc/02/16/26/438021626.db2.gz YVMLTUTYAKWPQV-SNVBAGLBSA-N 0 3 338.364 0.998 20 5 ECBDHN CCN1CCN(CCNC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000357497272 438000053 /nfs/dbraw/zinc/00/00/53/438000053.db2.gz IGWWTBMVTUDPRS-UHFFFAOYSA-N 0 3 336.392 0.971 20 5 ECBDHN O=C(CCN1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366307624 438050178 /nfs/dbraw/zinc/05/01/78/438050178.db2.gz DUZQQACRQMEPSY-GHMZBOCLSA-N 0 3 346.343 0.518 20 5 ECBDHN CCN1C(=O)N=NC1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372293139 438065328 /nfs/dbraw/zinc/06/53/28/438065328.db2.gz GWLCNHUXPDOFLL-UHFFFAOYSA-N 0 3 335.368 0.988 20 5 ECBDHN C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H](c1ccccc1)N(C)C ZINC000349222356 438142897 /nfs/dbraw/zinc/14/28/97/438142897.db2.gz YRYCBZOYFWATOT-SMDDNHRTSA-N 0 3 332.364 0.994 20 5 ECBDHN NC[C@@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000418917397 438247904 /nfs/dbraw/zinc/24/79/04/438247904.db2.gz AYXXWZKHOWIFMW-OAHLLOKOSA-N 0 3 348.403 0.887 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368191834 438298717 /nfs/dbraw/zinc/29/87/17/438298717.db2.gz CJHVMDAZNATRKK-USWWRNFRSA-N 0 3 338.339 0.529 20 5 ECBDHN CN(C)[C@@]1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCSC1 ZINC000359683739 438478613 /nfs/dbraw/zinc/47/86/13/438478613.db2.gz XCMQMHVTJPMDTK-CQSZACIVSA-N 0 3 340.405 0.310 20 5 ECBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000420972721 438454230 /nfs/dbraw/zinc/45/42/30/438454230.db2.gz LCIXVWVFZFFSOL-GFCCVEGCSA-N 0 3 343.405 0.841 20 5 ECBDHN CCc1n[nH]c(C(=O)N2CCCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000370066562 438547476 /nfs/dbraw/zinc/54/74/76/438547476.db2.gz TYRSRPNWUGPWAC-UHFFFAOYSA-N 0 3 338.412 0.590 20 5 ECBDHN NC(=O)NC(=O)CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440504579 438554322 /nfs/dbraw/zinc/55/43/22/438554322.db2.gz MHYYEZCTZKXETP-SNVBAGLBSA-N 0 3 336.352 0.451 20 5 ECBDHN O=C([C@@H]1CN2CCN1CCC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000408376173 438563815 /nfs/dbraw/zinc/56/38/15/438563815.db2.gz VWHBOWBYUQWBJE-AWEZNQCLSA-N 0 3 348.407 0.345 20 5 ECBDHN C[C@H]1CC[NH2+]C[C@H]1NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979794 438623531 /nfs/dbraw/zinc/62/35/31/438623531.db2.gz KGWZKQPEDXBCRQ-NWDGAFQWSA-N 0 3 342.421 0.461 20 5 ECBDHN CNc1nc(C(=O)NC2(CCO)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000456000600 438756231 /nfs/dbraw/zinc/75/62/31/438756231.db2.gz TYGWEDJLQVTLRM-UHFFFAOYSA-N 0 3 337.380 0.608 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860517 438843235 /nfs/dbraw/zinc/84/32/35/438843235.db2.gz GRYZIXIVESCJFA-KBPBESRZSA-N 0 3 335.360 0.641 20 5 ECBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000595744032 438854692 /nfs/dbraw/zinc/85/46/92/438854692.db2.gz UNXBMTJKZSYDGP-ZFWWWQNUSA-N 0 3 326.349 0.682 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(CO)(CO)C1 ZINC000595804758 438865928 /nfs/dbraw/zinc/86/59/28/438865928.db2.gz CYDNOGZZNSGXHK-LBPRGKRZSA-N 0 3 326.349 0.011 20 5 ECBDHN O=C1NCCc2ccc(CNC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000516646678 438919394 /nfs/dbraw/zinc/91/93/94/438919394.db2.gz ISRGDGBQTCBVMG-CQSZACIVSA-N 0 3 345.359 0.228 20 5 ECBDHN NS(=O)(=O)c1ccc(N[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000596091549 438924623 /nfs/dbraw/zinc/92/46/23/438924623.db2.gz NHBCTADJQRNBPA-SNVBAGLBSA-N 0 3 326.378 0.891 20 5 ECBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516938129 438939546 /nfs/dbraw/zinc/93/95/46/438939546.db2.gz JVQQUCUWKKVCEJ-WCQYABFASA-N 0 3 332.360 0.596 20 5 ECBDHN Nc1nc(NCC2CCN(Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000596441997 438964783 /nfs/dbraw/zinc/96/47/83/438964783.db2.gz SXEYGLAZEAIELK-UHFFFAOYSA-N 0 3 343.391 1.108 20 5 ECBDHN COC(=O)[C@@H]1CN(C)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000591189339 438988850 /nfs/dbraw/zinc/98/88/50/438988850.db2.gz JNCVMAHRXNFRSK-LLVKDONJSA-N 0 3 338.364 0.210 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496965 439064648 /nfs/dbraw/zinc/06/46/48/439064648.db2.gz VUNKUJKDXGXWLB-VXGBXAGGSA-N 0 3 347.375 0.167 20 5 ECBDHN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520229141 439074542 /nfs/dbraw/zinc/07/45/42/439074542.db2.gz BZGFTKFDWJLKPB-DTWKUNHWSA-N 0 3 345.377 0.770 20 5 ECBDHN CC(C)(CNC[C@H](O)COc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000591749609 439079886 /nfs/dbraw/zinc/07/98/86/439079886.db2.gz BEHLNLKBQFKBPA-NSHDSACASA-N 0 3 346.405 0.747 20 5 ECBDHN CN1C(=O)CC[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000566733728 439084613 /nfs/dbraw/zinc/08/46/13/439084613.db2.gz XXWCBYKVFHKPQG-WDEREUQCSA-N 0 3 337.332 0.072 20 5 ECBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN2CC[C@H]1C2 ZINC000597710895 439166366 /nfs/dbraw/zinc/16/63/66/439166366.db2.gz YCSCASXIBUNUFF-LBPRGKRZSA-N 0 3 346.343 0.237 20 5 ECBDHN CC[C@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000489880010 439245206 /nfs/dbraw/zinc/24/52/06/439245206.db2.gz GBPUPQYSPVGTLD-JTQLQIEISA-N 0 3 344.393 0.264 20 5 ECBDHN CN1CCC[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598896426 439324290 /nfs/dbraw/zinc/32/42/90/439324290.db2.gz IKKFXMZFLNIFNK-LBPRGKRZSA-N 0 3 335.364 0.927 20 5 ECBDHN C[NH2+]CCOCC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000599106642 439358964 /nfs/dbraw/zinc/35/89/64/439358964.db2.gz FLMMXDKPYNACEL-UHFFFAOYSA-N 0 3 333.366 0.118 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](N)Cc3ccccc32)n1 ZINC000599103969 439359049 /nfs/dbraw/zinc/35/90/49/439359049.db2.gz YACQHXBENMSNMF-SNVBAGLBSA-N 0 3 337.361 0.407 20 5 ECBDHN C[NH2+]CCOCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000599107981 439360863 /nfs/dbraw/zinc/36/08/63/439360863.db2.gz QBRRDNLOSSNCNI-UHFFFAOYSA-N 0 3 331.394 0.726 20 5 ECBDHN CN(C)CCN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593234615 439355446 /nfs/dbraw/zinc/35/54/46/439355446.db2.gz KIOZCGMZFOQESI-UHFFFAOYSA-N 0 3 334.376 0.370 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000569943150 439378169 /nfs/dbraw/zinc/37/81/69/439378169.db2.gz VSUFOHGRTOQECM-UONOGXRCSA-N 0 3 347.375 0.091 20 5 ECBDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599247626 439399407 /nfs/dbraw/zinc/39/94/07/439399407.db2.gz GKTAYEGELBQTPV-LLVKDONJSA-N 0 3 345.425 0.823 20 5 ECBDHN CCc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000582848124 439388675 /nfs/dbraw/zinc/38/86/75/439388675.db2.gz GYRPBJQLWKWEGV-LBPRGKRZSA-N 0 3 342.421 0.421 20 5 ECBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599288735 439419307 /nfs/dbraw/zinc/41/93/07/439419307.db2.gz NXLDHTHSSVSVCH-UHFFFAOYSA-N 0 3 345.425 0.825 20 5 ECBDHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000594027998 439509607 /nfs/dbraw/zinc/50/96/07/439509607.db2.gz YNYMQSUTOCWYIQ-LSDHHAIUSA-N 0 3 346.387 0.235 20 5 ECBDHN CNc1nccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000594333117 439542421 /nfs/dbraw/zinc/54/24/21/439542421.db2.gz UNSYNVAAPQXCNS-WDEREUQCSA-N 0 3 339.421 1.149 20 5 ECBDHN COc1ccc(CC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599938341 439578711 /nfs/dbraw/zinc/57/87/11/439578711.db2.gz NTPLBMYTKIDXEV-KBPBESRZSA-N 0 3 349.387 0.813 20 5 ECBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939520 439581562 /nfs/dbraw/zinc/58/15/62/439581562.db2.gz WGZOUHXANGXFSU-GHMZBOCLSA-N 0 3 337.380 0.722 20 5 ECBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753763 439602714 /nfs/dbraw/zinc/60/27/14/439602714.db2.gz MXGNOBIABNKWBM-NSHDSACASA-N 0 3 328.394 0.952 20 5 ECBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000610260681 439607149 /nfs/dbraw/zinc/60/71/49/439607149.db2.gz GIKXBVRUXFKGMC-SNVBAGLBSA-N 0 3 326.378 0.752 20 5 ECBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000610260681 439607153 /nfs/dbraw/zinc/60/71/53/439607153.db2.gz GIKXBVRUXFKGMC-SNVBAGLBSA-N 0 3 326.378 0.752 20 5 ECBDHN C[C@@H]1C[C@@H]1N1C[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715068 439610482 /nfs/dbraw/zinc/61/04/82/439610482.db2.gz DOALOQQSSVJSDS-DSPQJCBJSA-N 0 3 349.387 0.933 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](CO)[C@@H](O)C1 ZINC000573754611 439664184 /nfs/dbraw/zinc/66/41/84/439664184.db2.gz IGHAWFMDQHUPPK-DOMZBBRYSA-N 0 3 337.376 0.907 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000600744500 439697964 /nfs/dbraw/zinc/69/79/64/439697964.db2.gz GOXYZPQOONBLHA-GHMZBOCLSA-N 0 3 348.285 0.742 20 5 ECBDHN COC1(CO)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000618550716 440132720 /nfs/dbraw/zinc/13/27/20/440132720.db2.gz BDXQSBDDCGMKMW-CYBMUJFWSA-N 0 3 340.376 0.808 20 5 ECBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000330940440 320875058 /nfs/dbraw/zinc/87/50/58/320875058.db2.gz CLUGQEVQZACQGV-NEPJUHHUSA-N 0 3 338.412 0.990 20 5 ECBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465753 321532484 /nfs/dbraw/zinc/53/24/84/321532484.db2.gz ZCCANKOOONFSFI-NSHDSACASA-N 0 3 325.369 0.511 20 5 ECBDHN O=C(CNC(=O)c1cc([N+](=O)[O-])n[nH]1)NCCN1CCCCCC1 ZINC000554232459 322169291 /nfs/dbraw/zinc/16/92/91/322169291.db2.gz HVBBJYXCUJSXHG-UHFFFAOYSA-N 0 3 338.368 0.040 20 5 ECBDHN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)NC1CNC1 ZINC000556988149 322201328 /nfs/dbraw/zinc/20/13/28/322201328.db2.gz ZUTJQPBYTGNFJZ-UHFFFAOYSA-N 0 3 343.137 0.384 20 5 ECBDHN C[C@H](CS(C)(=O)=O)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564854820 322399989 /nfs/dbraw/zinc/39/99/89/322399989.db2.gz BREFELBTZRXTEE-ZYHUDNBSSA-N 0 3 332.378 0.357 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000564943634 322411162 /nfs/dbraw/zinc/41/11/62/322411162.db2.gz DILWAJMICOIUOQ-UHFFFAOYSA-N 0 3 347.335 0.140 20 5 ECBDHN CC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)C(F)(F)F ZINC000566231788 322515782 /nfs/dbraw/zinc/51/57/82/322515782.db2.gz UDNNZFLOXCBFRQ-LPEHRKFASA-N 0 3 326.275 0.444 20 5 ECBDHN CN(C)c1ncc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1C ZINC000566791964 322554490 /nfs/dbraw/zinc/55/44/90/322554490.db2.gz HLKAXDHSOMXDLN-CQSZACIVSA-N 0 3 349.391 0.924 20 5 ECBDHN CCOc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000571179043 322712963 /nfs/dbraw/zinc/71/29/63/322712963.db2.gz FWPUJBRVKDHODW-VXGBXAGGSA-N 0 3 348.359 0.378 20 5 ECBDHN COC(=O)c1ccc(S(=O)(=O)NCCNC2CC2)cc1[N+](=O)[O-] ZINC000592367044 546293532 /nfs/dbraw/zinc/29/35/32/546293532.db2.gz PIKFIPMDRQLCDO-UHFFFAOYSA-N 0 3 343.361 0.412 20 5 ECBDHN CC(C)(C(=O)NC[C@H]1CN2CCC[C@H]2CO1)n1cc([N+](=O)[O-])cn1 ZINC000726531579 578142981 /nfs/dbraw/zinc/14/29/81/578142981.db2.gz LXCUHJQPSKKFCD-AAEUAGOBSA-N 0 3 337.380 0.506 20 5 ECBDHN CC(C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC1 ZINC000796581713 578626359 /nfs/dbraw/zinc/62/63/59/578626359.db2.gz HVEBIKXUKNLXKW-GFCCVEGCSA-N 0 3 325.369 0.143 20 5 ECBDHN O=C(CCN1C[C@H](O)C[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782503337 578727002 /nfs/dbraw/zinc/72/70/02/578727002.db2.gz JTRWGMWSEQKPOO-PHIMTYICSA-N 0 3 327.312 0.490 20 5 ECBDHN C[C@H](OC(=O)C1CCN(C)C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000772529510 579209575 /nfs/dbraw/zinc/20/95/75/579209575.db2.gz CWSHVUYFXHQYKL-CABZTGNLSA-N 0 3 335.316 0.943 20 5 ECBDHN C[C@@H]1CCCN1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000773198731 579222549 /nfs/dbraw/zinc/22/25/49/579222549.db2.gz OUTCCBKPGSMQAO-GFCCVEGCSA-N 0 3 334.376 0.925 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000762714744 579546558 /nfs/dbraw/zinc/54/65/58/579546558.db2.gz CWBMDXUNSWRRJL-GOEBONIOSA-N 0 3 348.359 0.271 20 5 ECBDHN O=[N+]([O-])c1cnc(NC[C@@H](O)C[NH+]2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738368098 579624482 /nfs/dbraw/zinc/62/44/82/579624482.db2.gz DZVTZSYKKGHYBL-LLVKDONJSA-N 0 3 348.367 0.429 20 5 ECBDHN O=[N+]([O-])c1cnc(NC[C@@H](O)C[NH+]2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738368098 579624484 /nfs/dbraw/zinc/62/44/84/579624484.db2.gz DZVTZSYKKGHYBL-LLVKDONJSA-N 0 3 348.367 0.429 20 5 ECBDHN CN1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](CN)C1 ZINC000834306665 588894907 /nfs/dbraw/zinc/89/49/07/588894907.db2.gz AHZXAPVQNOQVTR-CYBMUJFWSA-N 0 3 332.364 0.046 20 5 ECBDHN COC(=O)Nc1ccc(S(=O)(=O)N(C)C2CNC2)cc1[N+](=O)[O-] ZINC000842866503 589039943 /nfs/dbraw/zinc/03/99/43/589039943.db2.gz CPTWCYQTZSTVPS-UHFFFAOYSA-N 0 3 344.349 0.365 20 5 ECBDHN Cn1c(=O)c([N+](=O)[O-])c(N2CCN3C[C@H](O)C[C@H]3C2)c2ccccc21 ZINC000894431931 586394050 /nfs/dbraw/zinc/39/40/50/586394050.db2.gz KGHBUUZQKJINRF-NWDGAFQWSA-N 0 3 344.371 0.702 20 5 ECBDHN O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C12CCN(CC1)C2 ZINC000900162865 586528149 /nfs/dbraw/zinc/52/81/49/586528149.db2.gz DXNFCNZHFQTNAJ-UHFFFAOYSA-N 0 3 331.376 0.734 20 5 ECBDHN CC(COC(=O)CCNS(=O)(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813108997 587248338 /nfs/dbraw/zinc/24/83/38/587248338.db2.gz DBHMWUHAORUNND-SECBINFHSA-N 0 3 334.325 0.703 20 5 ECBDHN CC(COC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[N+](=O)[O-] ZINC000813106793 587248404 /nfs/dbraw/zinc/24/84/04/587248404.db2.gz HVKZGFUEJVJNJN-QLJPJBMISA-N 0 3 347.327 0.588 20 5 ECBDHN CC(COC(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O)[N+](=O)[O-] ZINC000813115655 587248940 /nfs/dbraw/zinc/24/89/40/587248940.db2.gz XCZLQGBLLFVNPZ-JNIYBQFBSA-N 0 3 341.364 0.942 20 5 ECBDHN CC[C@H](CNS(C)(=O)=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819343612 587476973 /nfs/dbraw/zinc/47/69/73/587476973.db2.gz OEKHRWJKWOCZIL-YPMHNXCESA-N 0 3 331.394 0.546 20 5 ECBDHN CC([C@@H](OC(=O)CN1CCOCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845884406 589174479 /nfs/dbraw/zinc/17/44/79/589174479.db2.gz YZWRHLYAURSCOI-MEBBXXQBSA-N 0 3 340.307 0.934 20 5 ECBDHN CNc1nccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000847406508 589245779 /nfs/dbraw/zinc/24/57/79/589245779.db2.gz CQSIKZBCGPCLMZ-MNOVXSKESA-N 0 3 335.364 0.625 20 5 ECBDHN C[NH+](C)C[C@@](C)(O)C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848585186 589300967 /nfs/dbraw/zinc/30/09/67/589300967.db2.gz HOTSDUQJFRIKOI-ZDUSSCGKSA-N 0 3 347.318 0.995 20 5 ECBDHN C[C@H](NC[C@@]1(OCCO)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850506209 589368869 /nfs/dbraw/zinc/36/88/69/589368869.db2.gz CMCDFUGLOAGYCE-NHYWBVRUSA-N 0 3 325.365 0.996 20 5 ECBDHN O=C(CCN1CCC(O)(CO)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852500857 589499408 /nfs/dbraw/zinc/49/94/08/589499408.db2.gz SGYUFEVVDGHZRK-UHFFFAOYSA-N 0 3 341.339 0.882 20 5 ECBDHN COC(=O)N(C)CCN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000852569150 589501108 /nfs/dbraw/zinc/50/11/08/589501108.db2.gz GEAIQLSBOODZJC-GFCCVEGCSA-N 0 3 341.364 0.965 20 5 ECBDHN NC[C@H]1CC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NO1 ZINC000852802063 589512847 /nfs/dbraw/zinc/51/28/47/589512847.db2.gz BVPOTANXPXREIC-CYBMUJFWSA-N 0 3 333.348 0.347 20 5 ECBDHN CN(CC1CN(C)C1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000853553563 589547867 /nfs/dbraw/zinc/54/78/67/589547867.db2.gz FRFCZIYLOHCAMM-INIZCTEOSA-N 0 3 334.376 0.983 20 5 ECBDHN Cc1noc(CONC(=N)[C@@H]2CN(C(C)C)CCO2)c1[N+](=O)[O-] ZINC000853685734 589555092 /nfs/dbraw/zinc/55/50/92/589555092.db2.gz OQWNBXXYBZBXBU-JTQLQIEISA-N 0 3 327.341 0.999 20 5 ECBDHN CC(COC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000857030134 589684518 /nfs/dbraw/zinc/68/45/18/589684518.db2.gz UWGCVDXNLJHEOI-MRVPVSSYSA-N 0 3 326.265 0.925 20 5 ECBDHN CN1CCN(CC2CN(c3nc4ccccn4c3[N+](=O)[O-])C2)CC1 ZINC000858610904 589759768 /nfs/dbraw/zinc/75/97/68/589759768.db2.gz IXWSQNQUIVWOHC-UHFFFAOYSA-N 0 3 330.392 0.926 20 5 ECBDHN C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1c1ccncc1 ZINC000881634478 590462423 /nfs/dbraw/zinc/46/24/23/590462423.db2.gz BXMOUJAZJMURAW-LBPRGKRZSA-N 0 3 330.348 0.924 20 5 ECBDHN COC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCOC1 ZINC000886914241 590906123 /nfs/dbraw/zinc/90/61/23/590906123.db2.gz SYLUZZOJIYTNFM-TZMCWYRMSA-N 0 3 325.365 0.788 20 5 ECBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)N1CCNCC1 ZINC000923594699 609751372 /nfs/dbraw/zinc/75/13/72/609751372.db2.gz LVTQQFMIZLIONW-UHFFFAOYSA-N 0 3 342.421 0.955 20 5 ECBDHN CCCN(C)CC(=O)N(CCO)CCNc1ccc([N+](=O)[O-])cn1 ZINC001111492855 738191680 /nfs/dbraw/zinc/19/16/80/738191680.db2.gz SYPJBKFRSDDHJN-UHFFFAOYSA-N 0 3 339.396 0.564 20 5 ECBDHN Cc1c[nH]nc1C(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC000983641986 744983154 /nfs/dbraw/zinc/98/31/54/744983154.db2.gz HYCNFKNXWHEBBT-XYPYZODXSA-N 0 3 347.379 0.658 20 5 ECBDHN CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(-n2cc(CN)cn2)n1 ZINC001168254184 752008724 /nfs/dbraw/zinc/00/87/24/752008724.db2.gz HGVTXABEHDFACC-UHFFFAOYSA-N 0 3 332.729 0.086 20 5 ECBDHN Cc1nn[nH]c1C(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC000984516685 746546284 /nfs/dbraw/zinc/54/62/84/746546284.db2.gz RNXWEUIZSFJWPQ-MGCOHNPYSA-N 0 3 348.367 0.053 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2ccon2)C1 ZINC000983246866 754988183 /nfs/dbraw/zinc/98/81/83/754988183.db2.gz UPBGISYUHVDFBM-MGCOHNPYSA-N 0 3 334.336 0.615 20 5 ECBDHN CCc1cnc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@H]3C2)o1 ZINC001048814523 757083129 /nfs/dbraw/zinc/08/31/29/757083129.db2.gz PBOSFZZSTMJQMV-ZMJPVWNMSA-N 0 3 334.376 0.792 20 5 ECBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]c(=O)n1C ZINC001267414618 837372035 /nfs/dbraw/zinc/37/20/35/837372035.db2.gz KSUFIIIRKOQZEL-UHFFFAOYSA-N 0 3 333.348 0.896 20 5 ECBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000420453925 209370118 /nfs/dbraw/zinc/37/01/18/209370118.db2.gz KQEPMLRYLBBZSB-GFCCVEGCSA-N 0 3 342.421 0.394 20 5 ECBDHN NC[C@H](NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000420063491 209293454 /nfs/dbraw/zinc/29/34/54/209293454.db2.gz NKOHNHSSBIEWPI-AWEZNQCLSA-N 0 3 332.360 0.333 20 5 ECBDHN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC[NH+](C)C ZINC000292965597 201343088 /nfs/dbraw/zinc/34/30/88/201343088.db2.gz KTOWEBDPROJDCA-UHFFFAOYSA-N 0 3 345.377 0.611 20 5 ECBDHN CN(C)CCN1C[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000074225598 203282697 /nfs/dbraw/zinc/28/26/97/203282697.db2.gz NJZGMGIPIORZKH-CYBMUJFWSA-N 0 3 334.376 0.621 20 5 ECBDHN CN1CCC[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109093993 204277829 /nfs/dbraw/zinc/27/78/29/204277829.db2.gz ZLFOBBKZTXEIJC-ZDUSSCGKSA-N 0 3 330.348 1.000 20 5 ECBDHN CC[C@H]1CN(C(=O)c2[n-]nc(C)c2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000266500212 248332932 /nfs/dbraw/zinc/33/29/32/248332932.db2.gz RXMZCDFKGTWPRG-KOLCDFICSA-N 0 3 325.369 0.544 20 5 ECBDHN CC[C@H]1CN(C(=O)c2[n-]nc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000266500212 248332934 /nfs/dbraw/zinc/33/29/34/248332934.db2.gz RXMZCDFKGTWPRG-KOLCDFICSA-N 0 3 325.369 0.544 20 5 ECBDHN O=C(CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000447589297 211196457 /nfs/dbraw/zinc/19/64/57/211196457.db2.gz XMTCNCIGTQRJFI-CHWSQXEVSA-N 0 3 337.380 0.723 20 5 ECBDHN CCCc1[nH]nc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000174333048 207012576 /nfs/dbraw/zinc/01/25/76/207012576.db2.gz XUDLKEJOELUHRQ-WDEREUQCSA-N 0 3 339.396 0.798 20 5 ECBDHN CCCc1n[nH]c(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000174333048 207012580 /nfs/dbraw/zinc/01/25/80/207012580.db2.gz XUDLKEJOELUHRQ-WDEREUQCSA-N 0 3 339.396 0.798 20 5 ECBDHN CCN1CC[C@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000414006559 208384892 /nfs/dbraw/zinc/38/48/92/208384892.db2.gz QIORJXTUOVZSOH-AAEUAGOBSA-N 0 3 334.376 0.924 20 5 ECBDHN Cc1nn(C)c(C(=O)Nc2ccc(N3CCNCC3)cn2)c1[N+](=O)[O-] ZINC000429034261 210294577 /nfs/dbraw/zinc/29/45/77/210294577.db2.gz IAIVARPKADWGEU-UHFFFAOYSA-N 0 3 345.363 0.694 20 5 ECBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000161402837 164807602 /nfs/dbraw/zinc/80/76/02/164807602.db2.gz JPMWMWHBTMPPMB-UHFFFAOYSA-N 0 3 343.405 0.577 20 5 ECBDHN COCCN1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000194347904 165066621 /nfs/dbraw/zinc/06/66/21/165066621.db2.gz MMFQAJSMGKGYHT-UHFFFAOYSA-N 0 3 325.369 0.408 20 5 ECBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCNCC1 ZINC000261964844 165271156 /nfs/dbraw/zinc/27/11/56/165271156.db2.gz AYEHVSOLEFYKLT-ZDUSSCGKSA-N 0 3 348.407 0.298 20 5 ECBDHN NS(=O)(=O)c1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301138424 296882502 /nfs/dbraw/zinc/88/25/02/296882502.db2.gz ATNMVLHXKGJHPN-LLVKDONJSA-N 0 3 340.405 0.917 20 5 ECBDHN O=C(CNC[C@H]1CCCO1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237924944 263175346 /nfs/dbraw/zinc/17/53/46/263175346.db2.gz KHHXGRCDYZFEKD-TZMCWYRMSA-N 0 3 349.391 0.771 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269888230 263210844 /nfs/dbraw/zinc/21/08/44/263210844.db2.gz KAEYOMBHXRZGLO-OAHLLOKOSA-N 0 3 339.348 0.408 20 5 ECBDHN CS[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000270521686 263247994 /nfs/dbraw/zinc/24/79/94/263247994.db2.gz SXVVFFSUXZCFPS-NEPJUHHUSA-N 0 3 327.410 0.685 20 5 ECBDHN NC(=O)c1ccc(CN[C@H]2CCC(=O)NC23CCC3)c([N+](=O)[O-])c1 ZINC000282898461 264068308 /nfs/dbraw/zinc/06/83/08/264068308.db2.gz WSUITEFBCPZIRB-ZDUSSCGKSA-N 0 3 332.360 0.985 20 5 ECBDHN CN1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000284037348 264183606 /nfs/dbraw/zinc/18/36/06/264183606.db2.gz PPLCCSSQJCDXIP-UHFFFAOYSA-N 0 3 326.328 0.503 20 5 ECBDHN C[C@@H](N)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423903230 278303674 /nfs/dbraw/zinc/30/36/74/278303674.db2.gz QJMSBDILURBFGH-SNVBAGLBSA-N 0 3 332.364 0.857 20 5 ECBDHN CCN1CCN([C@H]2CCN(C(=O)c3[nH]nc(C)c3[N+](=O)[O-])C2)CC1 ZINC000332103968 297002307 /nfs/dbraw/zinc/00/23/07/297002307.db2.gz DUFBUIIUPXKMHL-LBPRGKRZSA-N 0 3 336.396 0.478 20 5 ECBDHN CCN1CCN([C@H]2CCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2)CC1 ZINC000332103968 297002309 /nfs/dbraw/zinc/00/23/09/297002309.db2.gz DUFBUIIUPXKMHL-LBPRGKRZSA-N 0 3 336.396 0.478 20 5 ECBDHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000361086086 300059506 /nfs/dbraw/zinc/05/95/06/300059506.db2.gz LWEUWADAXNHJKQ-SECBINFHSA-N 0 3 344.755 0.225 20 5 ECBDHN CN1CCC(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 ZINC000363869554 300301604 /nfs/dbraw/zinc/30/16/04/300301604.db2.gz RISWRALBVJBVFF-NSHDSACASA-N 0 3 348.407 0.470 20 5 ECBDHN CCOC(=O)[C@@](C)(O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373292597 301056761 /nfs/dbraw/zinc/05/67/61/301056761.db2.gz JWWJZVWWWNGBKI-AWEZNQCLSA-N 0 3 326.353 0.742 20 5 ECBDHN O=C1CCCN1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075717412 436171943 /nfs/dbraw/zinc/17/19/43/436171943.db2.gz AEGMAQJKVLNVEV-CQSZACIVSA-N 0 3 337.380 0.239 20 5 ECBDHN CCN1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000029607558 436202142 /nfs/dbraw/zinc/20/21/42/436202142.db2.gz FOCPUBUVAIWHCC-UHFFFAOYSA-N 0 3 334.376 0.925 20 5 ECBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCOCC1 ZINC000083245356 436369919 /nfs/dbraw/zinc/36/99/19/436369919.db2.gz HLCWTLFMQMYPOP-HNNXBMFYSA-N 0 3 339.392 0.599 20 5 ECBDHN CN(C)CCN1C[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000089303125 436408449 /nfs/dbraw/zinc/40/84/49/436408449.db2.gz ONMRATRTJGKMFJ-CQSZACIVSA-N 0 3 348.403 0.664 20 5 ECBDHN CN(C)C(=O)C(C)(C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000114458443 436641955 /nfs/dbraw/zinc/64/19/55/436641955.db2.gz LWAJOENZLYQJJN-LBPRGKRZSA-N 0 3 325.365 0.791 20 5 ECBDHN CN(C)C[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCO1 ZINC000116787217 436651194 /nfs/dbraw/zinc/65/11/94/436651194.db2.gz JJLXCSFFTSNYIF-LBPRGKRZSA-N 0 3 325.369 0.315 20 5 ECBDHN CC(C)C(=O)NCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000550085568 302343729 /nfs/dbraw/zinc/34/37/29/302343729.db2.gz NAWCEXWMRNKNLQ-ZDUSSCGKSA-N 0 3 325.365 0.696 20 5 ECBDHN CN(CCC(=O)OC(C)(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000150880432 436691748 /nfs/dbraw/zinc/69/17/48/436691748.db2.gz JWYUEWWJSSYZHC-GFCCVEGCSA-N 0 3 328.369 0.816 20 5 ECBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN(c2ccncc2)CC1 ZINC000151668042 436708839 /nfs/dbraw/zinc/70/88/39/436708839.db2.gz RVRJBNNPZZRBJW-UHFFFAOYSA-N 0 3 345.363 0.718 20 5 ECBDHN Cc1nn(CCC(=O)NC[C@](C)(O)CN(C)C)c(C)c1[N+](=O)[O-] ZINC000153193606 436750507 /nfs/dbraw/zinc/75/05/07/436750507.db2.gz DBOGSGPCIACFBB-AWEZNQCLSA-N 0 3 327.385 0.227 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000153306654 436753740 /nfs/dbraw/zinc/75/37/40/436753740.db2.gz ZFEPYQIIKJDFDM-MRXNPFEDSA-N 0 3 347.375 0.823 20 5 ECBDHN Cc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c([N+](=O)[O-])c1 ZINC000124995377 436759916 /nfs/dbraw/zinc/75/99/16/436759916.db2.gz JIDIOGNTRXVEFD-NSHDSACASA-N 0 3 328.394 0.167 20 5 ECBDHN CC(C)[C@@H](CO)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000274302410 436814146 /nfs/dbraw/zinc/81/41/46/436814146.db2.gz JXBPMIPQYWWJKD-SNVBAGLBSA-N 0 3 325.321 0.869 20 5 ECBDHN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N1CCC(C)CC1 ZINC000127052515 436796385 /nfs/dbraw/zinc/79/63/85/436796385.db2.gz KQRIBKLBPNQPAR-ZDUSSCGKSA-N 0 3 336.392 0.993 20 5 ECBDHN C[C@H](NCCC(=O)N1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293958577 436923894 /nfs/dbraw/zinc/92/38/94/436923894.db2.gz ZUTDDBRPJIUNFC-LBPRGKRZSA-N 0 3 335.408 0.992 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000162606271 436911433 /nfs/dbraw/zinc/91/14/33/436911433.db2.gz SNURYBWVCPSVGF-JSGCOSHPSA-N 0 3 335.368 0.156 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000295310166 436963960 /nfs/dbraw/zinc/96/39/60/436963960.db2.gz KVECCZOAXVTRAJ-QMMMGPOBSA-N 0 3 327.318 0.185 20 5 ECBDHN CN1CCC[C@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299278005 437065893 /nfs/dbraw/zinc/06/58/93/437065893.db2.gz LILMWDCOFSXCSK-AWEZNQCLSA-N 0 3 334.376 0.925 20 5 ECBDHN C[C@H](O)CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000276209907 437073277 /nfs/dbraw/zinc/07/32/77/437073277.db2.gz OYFUGYLNBVVHKT-OBJOEFQTSA-N 0 3 328.365 0.398 20 5 ECBDHN CN1CCC(O)(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000267196591 437304817 /nfs/dbraw/zinc/30/48/17/437304817.db2.gz XORHSRVYJUBLON-UHFFFAOYSA-N 0 3 337.376 0.937 20 5 ECBDHN O=C1C[C@@]2(CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278751762 437341633 /nfs/dbraw/zinc/34/16/33/437341633.db2.gz AYFIZSWOMBSYHP-LRDDRELGSA-N 0 3 335.360 0.547 20 5 ECBDHN CN(C)C(=O)CC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000182203333 437342858 /nfs/dbraw/zinc/34/28/58/437342858.db2.gz JFIARZUPYGSYDP-AWEZNQCLSA-N 0 3 339.396 0.343 20 5 ECBDHN CC(C)(C)[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000182156140 437339887 /nfs/dbraw/zinc/33/98/87/437339887.db2.gz INAOHBAFDZRONT-GXFFZTMASA-N 0 3 325.365 0.824 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(N2CCNCC2)cn1 ZINC000269158240 437461357 /nfs/dbraw/zinc/46/13/57/437461357.db2.gz IXPPSGSKEZNDNT-UHFFFAOYSA-N 0 3 331.336 0.235 20 5 ECBDHN COc1cc(CCNC(=O)[C@H]2C[C@H](F)CN2)c([N+](=O)[O-])cc1OC ZINC000188274254 437538951 /nfs/dbraw/zinc/53/89/51/437538951.db2.gz UQEWQCSHTDCOGN-WDEREUQCSA-N 0 3 341.339 0.971 20 5 ECBDHN C[C@@H]1OCC[C@@H]1N(CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361556056 437671830 /nfs/dbraw/zinc/67/18/30/437671830.db2.gz DZQGGQZHPPVMSG-MJBXVCDLSA-N 0 3 340.376 0.806 20 5 ECBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415857420 437872091 /nfs/dbraw/zinc/87/20/91/437872091.db2.gz CECPCTLFOPFEAG-LBPRGKRZSA-N 0 3 336.348 0.200 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1(N(C)C)CC1 ZINC000416286266 437903386 /nfs/dbraw/zinc/90/33/86/437903386.db2.gz AGKAAGYQLBNPOG-NSHDSACASA-N 0 3 334.376 0.924 20 5 ECBDHN O=C(CCOC1CNC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000349006120 438126165 /nfs/dbraw/zinc/12/61/65/438126165.db2.gz SUGJLEDYFBFMTI-LLVKDONJSA-N 0 3 335.364 0.381 20 5 ECBDHN Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358093346 438150028 /nfs/dbraw/zinc/15/00/28/438150028.db2.gz MNNDCDIXYGBBPF-HNNXBMFYSA-N 0 3 336.348 0.025 20 5 ECBDHN C[C@@H]1CN(CCCNC(=O)c2c([N+](=O)[O-])cnn2C)CCCO1 ZINC000432549271 438202302 /nfs/dbraw/zinc/20/23/02/438202302.db2.gz IVNVCIKLFSLWOL-LLVKDONJSA-N 0 3 325.369 0.559 20 5 ECBDHN O=C1NC[C@@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000368073457 438284231 /nfs/dbraw/zinc/28/42/31/438284231.db2.gz ZYAWYDNVDXHFGH-AGIUHOORSA-N 0 3 335.360 0.402 20 5 ECBDHN C[C@@H]1NCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000434665019 438314167 /nfs/dbraw/zinc/31/41/67/438314167.db2.gz MLYMTTRRZSJCQC-RYUDHWBXSA-N 0 3 349.391 0.603 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCCO2)cc1C ZINC000390277765 438432514 /nfs/dbraw/zinc/43/25/14/438432514.db2.gz ZKJYESGTAXMBKP-GFCCVEGCSA-N 0 3 343.405 0.868 20 5 ECBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000359843005 438508028 /nfs/dbraw/zinc/50/80/28/438508028.db2.gz QUHGKEVWKAZEDB-DZGCQCFKSA-N 0 3 326.349 0.418 20 5 ECBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCCN1CCO ZINC000452395688 438660885 /nfs/dbraw/zinc/66/08/85/438660885.db2.gz XAJKIKGFXUYEHT-GFCCVEGCSA-N 0 3 325.369 0.144 20 5 ECBDHN CC(C)(C(=O)NC[C@H]1CCCN1CCCO)n1cc([N+](=O)[O-])cn1 ZINC000452773852 438672879 /nfs/dbraw/zinc/67/28/79/438672879.db2.gz BSSVTDKZCCWRFV-GFCCVEGCSA-N 0 3 339.396 0.489 20 5 ECBDHN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000447243611 438675604 /nfs/dbraw/zinc/67/56/04/438675604.db2.gz BHZLIKGIZBOXFL-QMMMGPOBSA-N 0 3 331.350 0.382 20 5 ECBDHN CNc1nc(C(=O)NCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000454352496 438715301 /nfs/dbraw/zinc/71/53/01/438715301.db2.gz VYDXHFTXZMZSGC-UHFFFAOYSA-N 0 3 336.396 0.399 20 5 ECBDHN CNc1nc(C(=O)NCCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000455760272 438752593 /nfs/dbraw/zinc/75/25/93/438752593.db2.gz XVLBYIFVOOZMMA-UHFFFAOYSA-N 0 3 337.380 0.608 20 5 ECBDHN C[C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000577290717 438831481 /nfs/dbraw/zinc/83/14/81/438831481.db2.gz VQMJWPDAHNCACR-ZDUSSCGKSA-N 0 3 333.392 0.980 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](Cn2ccnn2)C1 ZINC000595608414 438834447 /nfs/dbraw/zinc/83/44/47/438834447.db2.gz PGPQHHXDPDWIKS-UONOGXRCSA-N 0 3 347.375 0.948 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000588866220 438846874 /nfs/dbraw/zinc/84/68/74/438846874.db2.gz IJIILGVGPFBDMQ-SECBINFHSA-N 0 3 334.332 0.501 20 5 ECBDHN CCCc1[nH]nc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861924 438847133 /nfs/dbraw/zinc/84/71/33/438847133.db2.gz YNWXNFAVEHXEEL-WDEREUQCSA-N 0 3 337.380 0.552 20 5 ECBDHN CCCc1n[nH]c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861924 438847138 /nfs/dbraw/zinc/84/71/38/438847138.db2.gz YNWXNFAVEHXEEL-WDEREUQCSA-N 0 3 337.380 0.552 20 5 ECBDHN O=C1CCC(=O)N1CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577721992 438864992 /nfs/dbraw/zinc/86/49/92/438864992.db2.gz BVYRYXPVUYRDGK-NSHDSACASA-N 0 3 337.332 0.073 20 5 ECBDHN O=C1CCCN1C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595833129 438867660 /nfs/dbraw/zinc/86/76/60/438867660.db2.gz RZQGDUWHLVFGTI-OCCSQVGLSA-N 0 3 337.380 0.097 20 5 ECBDHN N[C@@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@H]1F ZINC000595905356 438885707 /nfs/dbraw/zinc/88/57/07/438885707.db2.gz CKXOMSBZXAZSAQ-RKDXNWHRSA-N 0 3 340.311 0.633 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590370176 438914237 /nfs/dbraw/zinc/91/42/37/438914237.db2.gz USAXTWNLWHOUKD-NSHDSACASA-N 0 3 333.348 0.433 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000590564014 438932215 /nfs/dbraw/zinc/93/22/15/438932215.db2.gz BSXKNDJKDYPTGY-OLZOCXBDSA-N 0 3 337.380 0.421 20 5 ECBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCNS(=O)(=O)N(C)C ZINC000459535000 438973411 /nfs/dbraw/zinc/97/34/11/438973411.db2.gz JICFZVFBTREFQI-NSHDSACASA-N 0 3 330.410 0.511 20 5 ECBDHN COCCN(C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518288320 438993655 /nfs/dbraw/zinc/99/36/55/438993655.db2.gz DVOKRKHZFFRSEA-UHFFFAOYSA-N 0 3 325.321 0.632 20 5 ECBDHN COc1ccc(CNC(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000518496560 439000906 /nfs/dbraw/zinc/00/09/06/439000906.db2.gz QMPDGUZZBOTKQQ-LBPRGKRZSA-N 0 3 337.380 0.388 20 5 ECBDHN O=[N+]([O-])c1cnc(NCc2ccc(CN3CC[C@H](O)C3)cc2)nc1 ZINC000596422840 438960464 /nfs/dbraw/zinc/96/04/64/438960464.db2.gz HPKBAFNFUQMOIM-HNNXBMFYSA-N 0 3 329.360 1.564 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000518887374 439015001 /nfs/dbraw/zinc/01/50/01/439015001.db2.gz PFCYDMFIFGROPM-GJZGRUSLSA-N 0 3 336.392 0.839 20 5 ECBDHN CN1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000566301315 439038745 /nfs/dbraw/zinc/03/87/45/439038745.db2.gz WRVCGIPBLYHRAL-VIFPVBQESA-N 0 3 348.812 0.512 20 5 ECBDHN COc1ccc(CNC(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000471637465 439087874 /nfs/dbraw/zinc/08/78/74/439087874.db2.gz WNHPCVQTEHVHJL-UHFFFAOYSA-N 0 3 340.380 0.981 20 5 ECBDHN CC(C)N1CCN([C@@H]2CCN(Cc3cn(C)nc3[N+](=O)[O-])C2)CC1 ZINC000602487370 439097749 /nfs/dbraw/zinc/09/77/49/439097749.db2.gz XCUVIXOLTSUTLU-OAHLLOKOSA-N 0 3 336.440 0.929 20 5 ECBDHN COC[C@]1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC[NH2+]1 ZINC000520406513 439082244 /nfs/dbraw/zinc/08/22/44/439082244.db2.gz JNRAFBMYQCQXLF-GFCCVEGCSA-N 0 3 330.366 0.037 20 5 ECBDHN CN(CCC[NH+](C)C)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592165260 439169042 /nfs/dbraw/zinc/16/90/42/439169042.db2.gz CWHVJRRAZPZPOO-UHFFFAOYSA-N 0 3 344.437 0.757 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])cc(F)c1=O)NC1CCN(C2CC2)CC1 ZINC000521435173 439120605 /nfs/dbraw/zinc/12/06/05/439120605.db2.gz RKMAINHRVSWORA-UHFFFAOYSA-N 0 3 338.339 0.639 20 5 ECBDHN NC[C@@H]1c2ccccc2CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000580775198 439129445 /nfs/dbraw/zinc/12/94/45/439129445.db2.gz QZDDJXDQUXAYHF-CQSZACIVSA-N 0 3 342.355 0.841 20 5 ECBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000592389809 439220755 /nfs/dbraw/zinc/22/07/55/439220755.db2.gz RXAHBOQHSLODEX-RYUDHWBXSA-N 0 3 331.369 0.757 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000598183758 439236012 /nfs/dbraw/zinc/23/60/12/439236012.db2.gz ARNBHIOBBMJDPH-UHFFFAOYSA-N 0 3 336.392 0.616 20 5 ECBDHN Cc1cc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc([N+](=O)[O-])c1 ZINC000593234120 439355894 /nfs/dbraw/zinc/35/58/94/439355894.db2.gz FGVDAMDMQUMPOR-UHFFFAOYSA-N 0 3 334.376 0.749 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582677993 439366981 /nfs/dbraw/zinc/36/69/81/439366981.db2.gz ZDHCQCSQIRODEF-CHWSQXEVSA-N 0 3 347.375 0.086 20 5 ECBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000593597458 439418269 /nfs/dbraw/zinc/41/82/69/439418269.db2.gz IXNWUTZHEHQHEU-CYBMUJFWSA-N 0 3 326.378 0.706 20 5 ECBDHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000594027341 439510062 /nfs/dbraw/zinc/51/00/62/439510062.db2.gz MWCOUSLUQTXRMR-LSDHHAIUSA-N 0 3 346.387 0.235 20 5 ECBDHN C[C@@H](CCC[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000571088365 439475303 /nfs/dbraw/zinc/47/53/03/439475303.db2.gz GYLBCXHHMDRDSY-JTQLQIEISA-N 0 3 344.393 0.117 20 5 ECBDHN COc1ccc(OCCN2C[C@@H](CO)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000599531010 439499240 /nfs/dbraw/zinc/49/92/40/439499240.db2.gz DKHXUNAQUJZOLA-RYUDHWBXSA-N 0 3 326.349 0.515 20 5 ECBDHN COCCN1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000609269146 439561994 /nfs/dbraw/zinc/56/19/94/439561994.db2.gz MAOAANMXKXMLRC-LBPRGKRZSA-N 0 3 325.369 0.408 20 5 ECBDHN Cc1c(NC(=O)C(=O)N[C@H](CN)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000594533498 439572878 /nfs/dbraw/zinc/57/28/78/439572878.db2.gz NWIYNXWXBWIBRX-SECBINFHSA-N 0 3 334.254 0.848 20 5 ECBDHN COCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000594568887 439577397 /nfs/dbraw/zinc/57/73/97/439577397.db2.gz GBDNOXZTSZXXJG-CYBMUJFWSA-N 0 3 335.364 0.792 20 5 ECBDHN CCC(=O)N1CC[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000572393695 439578636 /nfs/dbraw/zinc/57/86/36/439578636.db2.gz ULXIGTOBGBAGGV-CHWSQXEVSA-N 0 3 337.376 0.935 20 5 ECBDHN Cc1cc(OCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938654 439581613 /nfs/dbraw/zinc/58/16/13/439581613.db2.gz CSDVDJZDJWUCCC-KGLIPLIRSA-N 0 3 349.387 0.950 20 5 ECBDHN C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000493069766 439598498 /nfs/dbraw/zinc/59/84/98/439598498.db2.gz JBKKHXNSQQBZDN-ABZNLYFFSA-N 0 3 334.376 0.791 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](CO)[C@H](O)C1 ZINC000573754612 439664642 /nfs/dbraw/zinc/66/46/42/439664642.db2.gz IGHAWFMDQHUPPK-IUODEOHRSA-N 0 3 337.376 0.907 20 5 ECBDHN CN1C(=O)c2ccccc2[C@H]1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600753410 439699507 /nfs/dbraw/zinc/69/95/07/439699507.db2.gz AWMFOGMWJNXVTP-IUODEOHRSA-N 0 3 345.359 0.569 20 5 ECBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CNCCO2)cc1OC ZINC000574392647 439700935 /nfs/dbraw/zinc/70/09/35/439700935.db2.gz DPYUOXNSLSFCEM-SNVBAGLBSA-N 0 3 339.348 0.720 20 5 ECBDHN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000574398145 439703171 /nfs/dbraw/zinc/70/31/71/439703171.db2.gz PUAXTCXDCULOOW-UHFFFAOYSA-N 0 3 331.336 0.304 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000272506622 320558190 /nfs/dbraw/zinc/55/81/90/320558190.db2.gz FKXSESZSTZKHRA-IJLUTSLNSA-N 0 3 334.376 0.922 20 5 ECBDHN C[C@@H](CN1CCCC1=O)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574552263 322781179 /nfs/dbraw/zinc/78/11/79/322781179.db2.gz YSZBRMZAIYQCGG-STQMWFEESA-N 0 3 337.376 0.935 20 5 ECBDHN N[C@H]1C[C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000576241911 322804021 /nfs/dbraw/zinc/80/40/21/322804021.db2.gz IUCZWXKPUCTKEV-KBPBESRZSA-N 0 3 332.360 0.298 20 5 ECBDHN C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000576665346 322812736 /nfs/dbraw/zinc/81/27/36/322812736.db2.gz ZNEUXSYGSOXDNQ-NSHDSACASA-N 0 3 337.380 0.189 20 5 ECBDHN O=C1[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccccc1 ZINC000577216517 322828996 /nfs/dbraw/zinc/82/89/96/322828996.db2.gz NVOHNLWWLZOAFN-LSDHHAIUSA-N 0 3 345.359 0.547 20 5 ECBDHN O=C(NC[C@H]1CNCCO1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842010861 589007662 /nfs/dbraw/zinc/00/76/62/589007662.db2.gz KUWAVOGMUXIDPB-OAHLLOKOSA-N 0 3 349.391 0.415 20 5 ECBDHN CN(C)CCNC(=S)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000840833899 586163186 /nfs/dbraw/zinc/16/31/86/586163186.db2.gz QKDAJIXPPAFKQJ-UHFFFAOYSA-N 0 3 338.437 0.548 20 5 ECBDHN CN(CCO)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000899726778 586502646 /nfs/dbraw/zinc/50/26/46/586502646.db2.gz VLAMFEQBMDZVCF-UHFFFAOYSA-N 0 3 336.392 0.849 20 5 ECBDHN O=[N+]([O-])CCN[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000905112400 586871206 /nfs/dbraw/zinc/87/12/06/586871206.db2.gz YXPKGFDRILPAQU-CYBMUJFWSA-N 0 3 336.396 0.148 20 5 ECBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000808222533 587150166 /nfs/dbraw/zinc/15/01/66/587150166.db2.gz MMPOTPBNJYGGAS-GFCCVEGCSA-N 0 3 336.392 0.847 20 5 ECBDHN COc1cc(OC)cc(C(=O)NCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107070 587248366 /nfs/dbraw/zinc/24/83/66/587248366.db2.gz LOZNEPAGMLUHCO-VIFPVBQESA-N 0 3 326.305 0.642 20 5 ECBDHN CS(=O)(=O)CCOCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819106740 587468641 /nfs/dbraw/zinc/46/86/41/587468641.db2.gz YETVLLJYKRUPCL-ZDUSSCGKSA-N 0 3 332.378 0.279 20 5 ECBDHN COCc1nc2n(n1)C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000819152944 587470713 /nfs/dbraw/zinc/47/07/13/587470713.db2.gz FOLMQZISURMLQU-OCCSQVGLSA-N 0 3 347.375 0.971 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCS(=O)(=O)C1CC1 ZINC000819369889 587477728 /nfs/dbraw/zinc/47/77/28/587477728.db2.gz PDWUGOSXRPIWTI-LLVKDONJSA-N 0 3 344.389 0.501 20 5 ECBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825516952 587947752 /nfs/dbraw/zinc/94/77/52/587947752.db2.gz HHDQWRMXVCIDJH-ZNMIVQPWSA-N 0 3 335.360 0.608 20 5 ECBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825516951 587947769 /nfs/dbraw/zinc/94/77/69/587947769.db2.gz HHDQWRMXVCIDJH-RRFJBIMHSA-N 0 3 335.360 0.608 20 5 ECBDHN NC[C@H]1CC(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)=NO1 ZINC000852871528 589520179 /nfs/dbraw/zinc/52/01/79/589520179.db2.gz QNUSKFFAKGFIQQ-MWLCHTKSSA-N 0 3 334.336 0.106 20 5 ECBDHN NC[C@H]1CC(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)=NO1 ZINC000852871526 589520257 /nfs/dbraw/zinc/52/02/57/589520257.db2.gz QNUSKFFAKGFIQQ-GXSJLCMTSA-N 0 3 334.336 0.106 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000855695929 589642223 /nfs/dbraw/zinc/64/22/23/589642223.db2.gz XNNINUWBEFABMQ-UHFFFAOYSA-N 0 3 340.355 0.826 20 5 ECBDHN CN1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000867811244 589847298 /nfs/dbraw/zinc/84/72/98/589847298.db2.gz OFPOVTLKDPLLJJ-CMPLNLGQSA-N 0 3 326.378 0.705 20 5 ECBDHN CC(COC(=O)c1nn(C)cc1I)[N+](=O)[O-] ZINC000870376331 590014726 /nfs/dbraw/zinc/01/47/26/590014726.db2.gz GPCPLYCRQJHQJG-YFKPBYRVSA-N 0 3 339.089 0.847 20 5 ECBDHN COc1ccc(CNC[C@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000922536244 611353846 /nfs/dbraw/zinc/35/38/46/611353846.db2.gz SMZOPDCOJPGSQI-HNNXBMFYSA-N 0 3 325.365 0.386 20 5 ECBDHN CCN1CCN([C@H](C)CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000932701530 611657420 /nfs/dbraw/zinc/65/74/20/611657420.db2.gz CNILEZRZBSRLAT-GFCCVEGCSA-N 0 3 338.412 0.242 20 5 ECBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000916660254 609945631 /nfs/dbraw/zinc/94/56/31/609945631.db2.gz IQHCYHQRZRPIDJ-MNOVXSKESA-N 0 3 326.378 0.562 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H]3OCCN[C@@H]3C2)c1 ZINC000923384539 611236294 /nfs/dbraw/zinc/23/62/94/611236294.db2.gz HDBMURNOPFYFMI-FVQBIDKESA-N 0 3 337.376 0.397 20 5 ECBDHN CC(C)c1noc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983653228 744999632 /nfs/dbraw/zinc/99/96/32/744999632.db2.gz HXOJLJRLVQXHAR-DDHJBXDOSA-N 0 3 337.380 0.843 20 5 ECBDHN Cn1cncc1C(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC000984220703 746068558 /nfs/dbraw/zinc/06/85/58/746068558.db2.gz SOMSPDBNRGBWGW-XYPYZODXSA-N 0 3 347.379 0.360 20 5 ECBDHN Cc1ncc(CN2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cn1 ZINC000981765022 751077072 /nfs/dbraw/zinc/07/70/72/751077072.db2.gz NDZREGRILWKYJH-HUUCEWRRSA-N 0 3 345.403 0.875 20 5 ECBDHN COc1ccc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@H]3C2)nn1 ZINC001048814393 757081615 /nfs/dbraw/zinc/08/16/15/757081615.db2.gz JLAGMCGADFNIPW-ZMJPVWNMSA-N 0 3 347.375 0.041 20 5 ECBDHN Cc1cccn(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1=O ZINC001127181486 763508049 /nfs/dbraw/zinc/50/80/49/763508049.db2.gz MBNKZPFXQUFWEC-UHFFFAOYSA-N 0 3 344.371 0.971 20 5 ECBDHN CN(C)C1(C(=O)N2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)CCC1 ZINC001055927874 770247797 /nfs/dbraw/zinc/24/77/97/770247797.db2.gz ZFINZEKCJGSEJI-UHFFFAOYSA-N 0 3 349.391 0.828 20 5 ECBDHN O=C(CCc1c[nH]cn1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019014736 770575250 /nfs/dbraw/zinc/57/52/50/770575250.db2.gz COLAQFPTMXIWQQ-CHWSQXEVSA-N 0 3 347.375 0.068 20 5 ECBDHN O=C(N[C@H]1C[C@H](NCc2noc3c2COCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139693 772206959 /nfs/dbraw/zinc/20/69/59/772206959.db2.gz LNEPOJSEKYMUSV-VWMGYNLJSA-N 0 3 336.348 0.149 20 5 ECBDHN CN(C)C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000116900710 282141032 /nfs/dbraw/zinc/14/10/32/282141032.db2.gz QBUNEMGMJBHIOK-JTQLQIEISA-N 0 3 347.368 0.685 20 5 ECBDHN Cc1nn(C)c(C(=O)NCCCNCc2cccnc2)c1[N+](=O)[O-] ZINC000428125528 210245951 /nfs/dbraw/zinc/24/59/51/210245951.db2.gz MHYVKLNYFGZDEG-UHFFFAOYSA-N 0 3 332.364 0.941 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC2CCN(CCOC)CC2)n1 ZINC000427821412 210221471 /nfs/dbraw/zinc/22/14/71/210221471.db2.gz XGFAHOSMKDWZFZ-UHFFFAOYSA-N 0 3 325.369 0.652 20 5 ECBDHN CCNC(=O)NC(=O)C(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000338224704 297246251 /nfs/dbraw/zinc/24/62/51/297246251.db2.gz GELCEUOIGWXQQU-MRVPVSSYSA-N 0 3 329.334 0.603 20 5 ECBDHN COc1cc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)ccc1[N+](=O)[O-] ZINC000420470267 209373399 /nfs/dbraw/zinc/37/33/99/209373399.db2.gz WPSAGCOJNWLPLO-QMMMGPOBSA-N 0 3 339.320 0.864 20 5 ECBDHN NC[C@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000420070655 209297124 /nfs/dbraw/zinc/29/71/24/209297124.db2.gz WVKXZAQAQQZPQP-HNNXBMFYSA-N 0 3 346.387 0.939 20 5 ECBDHN COC(=O)[C@@H]1CC12CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000266563086 248361402 /nfs/dbraw/zinc/36/14/02/248361402.db2.gz YKUNVXIOAJKHDE-OLZOCXBDSA-N 0 3 338.364 0.427 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450203796 211312232 /nfs/dbraw/zinc/31/22/32/211312232.db2.gz HYCDBMHGXFBJIK-INIZCTEOSA-N 0 3 347.375 0.823 20 5 ECBDHN CN(C)C(=O)OC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000495794705 255043806 /nfs/dbraw/zinc/04/38/06/255043806.db2.gz UTCGSCCVQQPIIU-LBPRGKRZSA-N 0 3 341.368 0.315 20 5 ECBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000246008414 165121317 /nfs/dbraw/zinc/12/13/17/165121317.db2.gz SRFOBRFXVKUCTM-GXTWGEPZSA-N 0 3 336.396 0.917 20 5 ECBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000262744048 165381012 /nfs/dbraw/zinc/38/10/12/165381012.db2.gz JIQZEOSFJXBKDG-WDEREUQCSA-N 0 3 330.348 0.998 20 5 ECBDHN O=[N+]([O-])c1cnc2ccc(N3CCN(C[C@@H]4CCOC4)CC3)nn21 ZINC000301977213 296893846 /nfs/dbraw/zinc/89/38/46/296893846.db2.gz WLNORWLQVCXNCJ-LBPRGKRZSA-N 0 3 332.364 0.796 20 5 ECBDHN CCn1cc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)c([N+](=O)[O-])n1 ZINC000331238849 296911191 /nfs/dbraw/zinc/91/11/91/296911191.db2.gz VXAILERVANNZOP-JTQLQIEISA-N 0 3 331.398 0.526 20 5 ECBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000187708942 263160582 /nfs/dbraw/zinc/16/05/82/263160582.db2.gz ZNOXBLPDEDWRLO-CYBMUJFWSA-N 0 3 336.392 0.922 20 5 ECBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n(C)c(=O)n1C ZINC000282433595 264043924 /nfs/dbraw/zinc/04/39/24/264043924.db2.gz KJINRPREMVLGLO-UHFFFAOYSA-N 0 3 332.360 0.667 20 5 ECBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296954454 265126987 /nfs/dbraw/zinc/12/69/87/265126987.db2.gz XZXBAAYHCURKNH-LLVKDONJSA-N 0 3 343.384 0.609 20 5 ECBDHN CN(C)CCOc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)ccn1 ZINC000345374873 298150972 /nfs/dbraw/zinc/15/09/72/298150972.db2.gz PWXXMNPZSSHFDV-UHFFFAOYSA-N 0 3 335.324 0.160 20 5 ECBDHN C[C@@H]1OCC[C@H]1N(CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361588428 300108803 /nfs/dbraw/zinc/10/88/03/300108803.db2.gz RSBFUKOIYUVQJX-JGGQBBKZSA-N 0 3 340.376 0.806 20 5 ECBDHN Cn1cc(CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(=O)n(C)c1=O ZINC000364338261 300346831 /nfs/dbraw/zinc/34/68/31/300346831.db2.gz PGVUSJUPPJMPBK-GFCCVEGCSA-N 0 3 348.363 0.026 20 5 ECBDHN CCc1n[nH]c(C(=O)N2CCCN(CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000372465491 301003608 /nfs/dbraw/zinc/00/36/08/301003608.db2.gz WBJNMFVDERLWGL-UHFFFAOYSA-N 0 3 339.396 0.799 20 5 ECBDHN CCc1[nH]nc(C(=O)N2CCCN(CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000372465491 301003610 /nfs/dbraw/zinc/00/36/10/301003610.db2.gz WBJNMFVDERLWGL-UHFFFAOYSA-N 0 3 339.396 0.799 20 5 ECBDHN C[C@@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000493280911 301528202 /nfs/dbraw/zinc/52/82/02/301528202.db2.gz BWFAEOZHUICIBE-JLVNDZCYSA-N 0 3 334.376 0.791 20 5 ECBDHN COCCOC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090549719 436432952 /nfs/dbraw/zinc/43/29/52/436432952.db2.gz NILASPZXRBXWGY-UHFFFAOYSA-N 0 3 325.365 0.884 20 5 ECBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000048245627 436444942 /nfs/dbraw/zinc/44/49/42/436444942.db2.gz JFXFQWGPRDEBAI-ZDUSSCGKSA-N 0 3 330.348 0.577 20 5 ECBDHN CC(C)(C)N1C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000521613704 301790794 /nfs/dbraw/zinc/79/07/94/301790794.db2.gz YAKDJRPUEUWLJC-PWSUYJOCSA-N 0 3 325.369 0.141 20 5 ECBDHN COc1cc(C(=O)N2CCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000114676417 436643354 /nfs/dbraw/zinc/64/33/54/436643354.db2.gz VSXUNCCAAACXLA-UHFFFAOYSA-N 0 3 336.392 0.923 20 5 ECBDHN Cc1sc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000552082641 302383741 /nfs/dbraw/zinc/38/37/41/302383741.db2.gz ZCHKLGGXIZSUEL-MRVPVSSYSA-N 0 3 328.394 0.761 20 5 ECBDHN CCN1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000272346523 436711802 /nfs/dbraw/zinc/71/18/02/436711802.db2.gz CNXWOCLCKKCQDH-UHFFFAOYSA-N 0 3 328.394 0.774 20 5 ECBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@]1(O)CN2CCC1CC2 ZINC000556850795 302452730 /nfs/dbraw/zinc/45/27/30/302452730.db2.gz IHQZCASCPOCMJY-QGZVFWFLSA-N 0 3 348.403 0.970 20 5 ECBDHN Cc1cc(=O)c(C(=O)N(C)[C@@H](C)CN)nn1-c1ccccc1[N+](=O)[O-] ZINC000237481458 436735683 /nfs/dbraw/zinc/73/56/83/436735683.db2.gz VKKCYSMWIMDORF-NSHDSACASA-N 0 3 345.359 0.868 20 5 ECBDHN Cc1cc(=O)c(C(=O)N(C)[C@H](C)CN)nn1-c1ccccc1[N+](=O)[O-] ZINC000237650204 436741732 /nfs/dbraw/zinc/74/17/32/436741732.db2.gz VKKCYSMWIMDORF-LLVKDONJSA-N 0 3 345.359 0.868 20 5 ECBDHN Cc1ccc(S(=O)(=O)[N-]CCCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000237740758 436743410 /nfs/dbraw/zinc/74/34/10/436743410.db2.gz MNTILDLZMXOQNT-UHFFFAOYSA-N 0 3 342.421 0.477 20 5 ECBDHN CCc1n[nH]c(C(=O)N[C@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000274580925 436845803 /nfs/dbraw/zinc/84/58/03/436845803.db2.gz HLVLRLHQFZNXPY-LLVKDONJSA-N 0 3 338.412 0.636 20 5 ECBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CCCNCC1 ZINC000160829737 436878842 /nfs/dbraw/zinc/87/88/42/436878842.db2.gz FILGIRGJSJEFSB-NSHDSACASA-N 0 3 336.348 0.614 20 5 ECBDHN N[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1c1ccccc1 ZINC000261601302 436878949 /nfs/dbraw/zinc/87/89/49/436878949.db2.gz AGKNGNGMBZHDLS-LSDHHAIUSA-N 0 3 342.355 0.710 20 5 ECBDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000161420256 436890194 /nfs/dbraw/zinc/89/01/94/436890194.db2.gz FMGMSCPDFZCXON-ZDUSSCGKSA-N 0 3 331.394 0.327 20 5 ECBDHN CN1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](CN)C1 ZINC000162492699 436907460 /nfs/dbraw/zinc/90/74/60/436907460.db2.gz ZZDZTSDWZBRIDD-AWEZNQCLSA-N 0 3 344.375 0.495 20 5 ECBDHN COc1ccc(NC(=O)CCN(C)CCOCCO)c([N+](=O)[O-])c1 ZINC000282559836 437014536 /nfs/dbraw/zinc/01/45/36/437014536.db2.gz SORIYTSLZDDIDA-UHFFFAOYSA-N 0 3 341.364 0.873 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCO)C[C@H](C)O ZINC000298695536 437048971 /nfs/dbraw/zinc/04/89/71/437048971.db2.gz ZPXHEJBHOWIPGE-NSHDSACASA-N 0 3 341.364 0.607 20 5 ECBDHN CNC(=O)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181521748 437322414 /nfs/dbraw/zinc/32/24/14/437322414.db2.gz YQUYYYXBSCUTOR-CYBMUJFWSA-N 0 3 337.376 0.793 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOCC3(CCOCC3)C2)c1 ZINC000184099627 437398644 /nfs/dbraw/zinc/39/86/44/437398644.db2.gz SMQKYNSMDLYTAM-AWEZNQCLSA-N 0 3 340.380 0.281 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000269167539 437462135 /nfs/dbraw/zinc/46/21/35/437462135.db2.gz RGHHAGADCLNMOB-UHFFFAOYSA-N 0 3 345.363 0.543 20 5 ECBDHN CC(C)OCCN1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000347681054 437932438 /nfs/dbraw/zinc/93/24/38/437932438.db2.gz JEANUEVINCGAPQ-UHFFFAOYSA-N 0 3 339.396 0.948 20 5 ECBDHN CN(C)CCn1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC000357603825 438022355 /nfs/dbraw/zinc/02/23/55/438022355.db2.gz KWOTXMURTRJRBE-UHFFFAOYSA-N 0 3 336.327 1.327 20 5 ECBDHN COc1cnccc1N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000358284425 438192529 /nfs/dbraw/zinc/19/25/29/438192529.db2.gz CEAMIDUZTAWIJE-UHFFFAOYSA-N 0 3 346.347 0.694 20 5 ECBDHN O=C1C[C@H]([C@H]2CCCCN2CCn2cc([N+](=O)[O-])ccc2=O)CN1 ZINC000367018849 438155868 /nfs/dbraw/zinc/15/58/68/438155868.db2.gz DAQIDYBYCOLVQT-GXTWGEPZSA-N 0 3 334.376 0.747 20 5 ECBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CN2CCN1CCC2 ZINC000367149706 438171966 /nfs/dbraw/zinc/17/19/66/438171966.db2.gz XLMSVFSLVPYBBQ-HNNXBMFYSA-N 0 3 333.392 0.513 20 5 ECBDHN CCCC[C@@H](CN)NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419032314 438298159 /nfs/dbraw/zinc/29/81/59/438298159.db2.gz BAEQXUXHBZRVLP-ZDUSSCGKSA-N 0 3 336.392 0.887 20 5 ECBDHN O=C([C@@H]1CN2CCN1CCC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408033844 438494256 /nfs/dbraw/zinc/49/42/56/438494256.db2.gz QGVUKLWMXQFWRD-INIZCTEOSA-N 0 3 330.388 0.869 20 5 ECBDHN CN1CCC(N(Cc2ccco2)C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000353844140 438544670 /nfs/dbraw/zinc/54/46/70/438544670.db2.gz KIBREBSFMKHNJI-UHFFFAOYSA-N 0 3 348.363 0.902 20 5 ECBDHN Nc1c(C(=O)NC[C@H]2CCCN2CCCO)cc(F)cc1[N+](=O)[O-] ZINC000452352677 438653931 /nfs/dbraw/zinc/65/39/31/438653931.db2.gz SMLNSTQQAXDIHU-LLVKDONJSA-N 0 3 340.355 0.893 20 5 ECBDHN COCCN(C)C[C@@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000576122086 438770467 /nfs/dbraw/zinc/77/04/67/438770467.db2.gz VWHJRQBFXQRBHT-CQSZACIVSA-N 0 3 339.392 0.597 20 5 ECBDHN CCc1ccc(S(=O)(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000576399204 438780644 /nfs/dbraw/zinc/78/06/44/438780644.db2.gz JGCCURBFZKOJRF-LLVKDONJSA-N 0 3 329.378 0.424 20 5 ECBDHN O=C1CC[C@@H]2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595742150 438855302 /nfs/dbraw/zinc/85/53/02/438855302.db2.gz OOLJOAUTZFFYLH-INWMFGNUSA-N 0 3 349.387 0.935 20 5 ECBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860107 438843397 /nfs/dbraw/zinc/84/33/97/438843397.db2.gz DMOOYPYFYOUJDT-NWDGAFQWSA-N 0 3 345.359 0.752 20 5 ECBDHN CS(=O)(=O)C1(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000577603592 438855061 /nfs/dbraw/zinc/85/50/61/438855061.db2.gz OCBBGWCRNWANGY-LBPRGKRZSA-N 0 3 344.389 0.501 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590045251 438899065 /nfs/dbraw/zinc/89/90/65/438899065.db2.gz OEUOIEUGGWZDJM-WHOFXGATSA-N 0 3 346.387 0.876 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590045246 438899412 /nfs/dbraw/zinc/89/94/12/438899412.db2.gz OEUOIEUGGWZDJM-CORIIIEPSA-N 0 3 346.387 0.876 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccnc(OC(F)F)c2)c1 ZINC000515376345 438863764 /nfs/dbraw/zinc/86/37/64/438863764.db2.gz JSRBAIVMLQZUHT-LLVKDONJSA-N 0 3 343.290 0.938 20 5 ECBDHN CN1C[C@H]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590447551 438925510 /nfs/dbraw/zinc/92/55/10/438925510.db2.gz YUZOVHOGOBOMBH-HIFRSBDPSA-N 0 3 346.387 0.877 20 5 ECBDHN Cc1nn(C)c(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000590565679 438935068 /nfs/dbraw/zinc/93/50/68/438935068.db2.gz PJNJJYAVWKFSKP-VXGBXAGGSA-N 0 3 337.380 0.572 20 5 ECBDHN Cc1cc(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000590591661 438939337 /nfs/dbraw/zinc/93/93/37/438939337.db2.gz WFKQCUGAHFZFRV-ZDUSSCGKSA-N 0 3 349.384 0.633 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccnc(N3CCCC3)c2)c1 ZINC000566107532 439008539 /nfs/dbraw/zinc/00/85/39/439008539.db2.gz LKUFTFCRNTZKNV-HNNXBMFYSA-N 0 3 346.391 0.937 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@]1(O)CN2CCC1CC2 ZINC000580619662 439110816 /nfs/dbraw/zinc/11/08/16/439110816.db2.gz PXUMDEIEUBFSEG-INIZCTEOSA-N 0 3 334.376 0.580 20 5 ECBDHN CNC(=O)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000519803587 439064687 /nfs/dbraw/zinc/06/46/87/439064687.db2.gz XJHFXXUKZYILJA-CQSZACIVSA-N 0 3 333.348 0.302 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN([C@H]2CCCN(C)C2)CC1 ZINC000602790496 439134082 /nfs/dbraw/zinc/13/40/82/439134082.db2.gz JVNGXLTTXQGSPE-HNNXBMFYSA-N 0 3 336.440 0.812 20 5 ECBDHN CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000602873252 439149272 /nfs/dbraw/zinc/14/92/72/439149272.db2.gz IFYBQYYCDACHKW-KBPBESRZSA-N 0 3 325.413 0.814 20 5 ECBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568783503 439279320 /nfs/dbraw/zinc/27/93/20/439279320.db2.gz VRWGVMJKZLRHBU-VXGBXAGGSA-N 0 3 347.375 0.987 20 5 ECBDHN CCN1CCN(CCNc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598586996 439282410 /nfs/dbraw/zinc/28/24/10/439282410.db2.gz LDNSWZIVBYWBMC-UHFFFAOYSA-N 0 3 337.380 0.826 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H]2COc3ccccc3O2)c1 ZINC000581645813 439236052 /nfs/dbraw/zinc/23/60/52/439236052.db2.gz ASSAJBBNFKRYEQ-OLZOCXBDSA-N 0 3 334.332 0.582 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000598188595 439237301 /nfs/dbraw/zinc/23/73/01/439237301.db2.gz VHSBDPIRWGWMJK-UHFFFAOYSA-N 0 3 325.369 0.025 20 5 ECBDHN N[C@H]1C[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)CCN2C1=O ZINC000568532496 439258040 /nfs/dbraw/zinc/25/80/40/439258040.db2.gz GYCFPJMJBURYTH-JSGCOSHPSA-N 0 3 327.344 0.891 20 5 ECBDHN O=C(CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCNCC1 ZINC000581878608 439259088 /nfs/dbraw/zinc/25/90/88/439259088.db2.gz SINDLFOWYHRZDJ-OLZOCXBDSA-N 0 3 336.396 0.296 20 5 ECBDHN COC[C@H]1C[C@@H](O)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593067088 439337819 /nfs/dbraw/zinc/33/78/19/439337819.db2.gz STSSMLYGZWSPLB-JHJVBQTASA-N 0 3 326.349 0.416 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000582131292 439295300 /nfs/dbraw/zinc/29/53/00/439295300.db2.gz DALRLLAITWBPGB-VHSXEESVSA-N 0 3 325.394 0.690 20 5 ECBDHN Nc1nc(N)nc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000599052129 439349436 /nfs/dbraw/zinc/34/94/36/439349436.db2.gz MCXUSQKPTHTTGX-UHFFFAOYSA-N 0 3 331.336 0.653 20 5 ECBDHN O=C1CCC(=O)N1CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000569687445 439355670 /nfs/dbraw/zinc/35/56/70/439355670.db2.gz UZDZNSACVHRXLZ-LBPRGKRZSA-N 0 3 337.332 0.073 20 5 ECBDHN C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000582735957 439373898 /nfs/dbraw/zinc/37/38/98/439373898.db2.gz PIJFAOKHLFEVPP-VXGBXAGGSA-N 0 3 336.392 0.881 20 5 ECBDHN CN(C)CCN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000593485760 439387473 /nfs/dbraw/zinc/38/74/73/439387473.db2.gz CVQADRMIRRJRLL-UHFFFAOYSA-N 0 3 344.375 0.748 20 5 ECBDHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000583058891 439412978 /nfs/dbraw/zinc/41/29/78/439412978.db2.gz CRACIGKBSPDGLI-CYBMUJFWSA-N 0 3 345.359 0.815 20 5 ECBDHN COC(=O)C1CCN(CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000570818591 439454333 /nfs/dbraw/zinc/45/43/33/439454333.db2.gz FMLQGHMVLXLNTO-UHFFFAOYSA-N 0 3 339.352 0.323 20 5 ECBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000608799914 439545591 /nfs/dbraw/zinc/54/55/91/439545591.db2.gz QRWAQSNCZZNJBG-LLVKDONJSA-N 0 3 336.348 0.742 20 5 ECBDHN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000594359326 439547951 /nfs/dbraw/zinc/54/79/51/439547951.db2.gz BUVVICKLTGGCFV-BYCMXARLSA-N 0 3 348.403 0.881 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N[C@@H](CN)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594451370 439562756 /nfs/dbraw/zinc/56/27/56/439562756.db2.gz SKYNVJYEEGWNLI-JTQLQIEISA-N 0 3 348.281 0.639 20 5 ECBDHN Cc1c(CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000572735847 439606245 /nfs/dbraw/zinc/60/62/45/439606245.db2.gz FWVVGDGEVXOHIQ-QWHCGFSZSA-N 0 3 332.360 0.216 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(CCO)CCc2ccccc2)c1 ZINC000610369601 439612796 /nfs/dbraw/zinc/61/27/96/439612796.db2.gz UWCWZIOGIZYGND-INIZCTEOSA-N 0 3 334.376 0.689 20 5 ECBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595123112 439657333 /nfs/dbraw/zinc/65/73/33/439657333.db2.gz RWRHYEXSNYXEFH-RKDXNWHRSA-N 0 3 333.341 0.663 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600470910 439667784 /nfs/dbraw/zinc/66/77/84/439667784.db2.gz JOWYAJXFDZEKOU-ZDUSSCGKSA-N 0 3 334.376 0.890 20 5 ECBDHN C[C@@H]1[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000600757206 439699646 /nfs/dbraw/zinc/69/96/46/439699646.db2.gz QPXVVEYWPWAIEX-MPKXVKKWSA-N 0 3 344.389 0.500 20 5 ECBDHN COC1(CO)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000618550717 440132091 /nfs/dbraw/zinc/13/20/91/440132091.db2.gz BDXQSBDDCGMKMW-ZDUSSCGKSA-N 0 3 340.376 0.808 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000342144300 321075637 /nfs/dbraw/zinc/07/56/37/321075637.db2.gz ZFBCKGUMHQFERX-LLVKDONJSA-N 0 3 338.364 0.189 20 5 ECBDHN C[C@@](CO)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000347724730 321248755 /nfs/dbraw/zinc/24/87/55/321248755.db2.gz VENAVDSMXGADBE-GJZGRUSLSA-N 0 3 336.348 0.355 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000533569503 322071311 /nfs/dbraw/zinc/07/13/11/322071311.db2.gz TXNBWRPLAPHCFG-OAHLLOKOSA-N 0 3 339.348 0.408 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000564584407 322382058 /nfs/dbraw/zinc/38/20/58/322382058.db2.gz DYRTWZHPCVVZTN-STQMWFEESA-N 0 3 347.375 0.086 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000564943817 322411445 /nfs/dbraw/zinc/41/14/45/322411445.db2.gz AIOGTSICVZPRLQ-UHFFFAOYSA-N 0 3 331.336 0.683 20 5 ECBDHN COc1cc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000564944030 322411803 /nfs/dbraw/zinc/41/18/03/322411803.db2.gz DCFTVTVMJGILQE-UHFFFAOYSA-N 0 3 347.335 0.383 20 5 ECBDHN COc1ccc(CNC[C@@H](O)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000565887483 322484971 /nfs/dbraw/zinc/48/49/71/322484971.db2.gz RWUIWCVMZKLKOK-CQSZACIVSA-N 0 3 338.408 0.301 20 5 ECBDHN N[C@H]1C[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000571300021 322717129 /nfs/dbraw/zinc/71/71/29/322717129.db2.gz UWRPWUAOGHZOIR-OLZOCXBDSA-N 0 3 333.348 0.048 20 5 ECBDHN O=C1[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccccc1 ZINC000577216516 322828869 /nfs/dbraw/zinc/82/88/69/322828869.db2.gz NVOHNLWWLZOAFN-HUUCEWRRSA-N 0 3 345.359 0.547 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000619253615 546311383 /nfs/dbraw/zinc/31/13/83/546311383.db2.gz BEJNFIIMNVMIJW-AWEZNQCLSA-N 0 3 325.369 0.015 20 5 ECBDHN COc1ccccc1[C@H](O)CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743260347 579796092 /nfs/dbraw/zinc/79/60/92/579796092.db2.gz BJJATHXTVXYHPU-TZMCWYRMSA-N 0 3 336.348 0.484 20 5 ECBDHN O=C(NCCO)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743274343 579796252 /nfs/dbraw/zinc/79/62/52/579796252.db2.gz YTEGFMPLQAVHLN-UHFFFAOYSA-N 0 3 337.376 0.794 20 5 ECBDHN COc1cccc([C@@H](O)CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000843069651 589049285 /nfs/dbraw/zinc/04/92/85/589049285.db2.gz UDIYZAOSBXDPCF-HIFRSBDPSA-N 0 3 336.348 0.484 20 5 ECBDHN COC(=O)Cc1ccc(N(C)CCN(C)CCO)c([N+](=O)[O-])c1 ZINC000894590602 586401441 /nfs/dbraw/zinc/40/14/41/586401441.db2.gz JMEQCFHLXZFJPZ-UHFFFAOYSA-N 0 3 325.365 0.671 20 5 ECBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843452676 589067603 /nfs/dbraw/zinc/06/76/03/589067603.db2.gz MRNPHDIJCUMFHO-UHFFFAOYSA-N 0 3 326.309 0.777 20 5 ECBDHN CC(COC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)[N+](=O)[O-] ZINC000813106458 587248348 /nfs/dbraw/zinc/24/83/48/587248348.db2.gz CYXQNNMGUSSUNK-JTQLQIEISA-N 0 3 335.316 0.960 20 5 ECBDHN CS(=O)(=O)N1CCC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818976634 587462971 /nfs/dbraw/zinc/46/29/71/587462971.db2.gz LHQVNRBUIWQAOO-OCCSQVGLSA-N 0 3 343.405 0.642 20 5 ECBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C[C@@H](O)C1CC1 ZINC000819081235 587467214 /nfs/dbraw/zinc/46/72/14/587467214.db2.gz JZGJVDQHHINLRG-GFCCVEGCSA-N 0 3 329.378 0.234 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@]2(O)CCN(C)C2)c1F ZINC000832208198 588474754 /nfs/dbraw/zinc/47/47/54/588474754.db2.gz ZTVQFIUODPTRAP-AWEZNQCLSA-N 0 3 329.303 0.978 20 5 ECBDHN COCc1cc([N+](=O)[O-])ccc1N1CCN(CCN(C)C)C(=O)C1 ZINC000845636147 589165914 /nfs/dbraw/zinc/16/59/14/589165914.db2.gz UGYAYVWNQJVQDB-UHFFFAOYSA-N 0 3 336.392 0.951 20 5 ECBDHN NC[C@@H]1CC(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)=NO1 ZINC000852871527 589520293 /nfs/dbraw/zinc/52/02/93/589520293.db2.gz QNUSKFFAKGFIQQ-KOLCDFICSA-N 0 3 334.336 0.106 20 5 ECBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@H](CO)CN(C)C ZINC000854468507 589588359 /nfs/dbraw/zinc/58/83/59/589588359.db2.gz QYRVBJWUWWALHR-VIFPVBQESA-N 0 3 342.327 0.345 20 5 ECBDHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000854497654 589589699 /nfs/dbraw/zinc/58/96/99/589589699.db2.gz UJAGRTOYPBGURO-JTQLQIEISA-N 0 3 335.364 0.526 20 5 ECBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854641696 589597740 /nfs/dbraw/zinc/59/77/40/589597740.db2.gz FBGGNCRJZMBXTA-OAGGEKHMSA-N 0 3 349.387 0.950 20 5 ECBDHN O=C(NCc1nc(N2CCNCC2)no1)Nc1cccc([N+](=O)[O-])c1 ZINC000857254246 589691098 /nfs/dbraw/zinc/69/10/98/589691098.db2.gz XPDQXSKDTGCWQB-UHFFFAOYSA-N 0 3 347.335 0.709 20 5 ECBDHN CN1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000857766453 589704321 /nfs/dbraw/zinc/70/43/21/589704321.db2.gz QKRSMZQHXAMSJH-NSHDSACASA-N 0 3 344.318 0.668 20 5 ECBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000868343994 589894339 /nfs/dbraw/zinc/89/43/39/589894339.db2.gz MRCBWAWTHIPRRJ-STQMWFEESA-N 0 3 337.351 0.944 20 5 ECBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000954242312 612791683 /nfs/dbraw/zinc/79/16/83/612791683.db2.gz MRRIGLWRLLLJLP-CHWSQXEVSA-N 0 3 343.343 0.511 20 5 ECBDHN CNC(=O)CN1CCCC12CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164683734 719725616 /nfs/dbraw/zinc/72/56/16/719725616.db2.gz FAVMNMBRJUGXMS-UHFFFAOYSA-N 0 3 348.407 0.753 20 5 ECBDHN Cc1nccn1CC(=O)N[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001023091340 736480074 /nfs/dbraw/zinc/48/00/74/736480074.db2.gz VNEFRKWBPCZPAV-TXEJJXNPSA-N 0 3 347.379 0.270 20 5 ECBDHN NC(=O)CC(=O)N1CCC(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000997626188 743718036 /nfs/dbraw/zinc/71/80/36/743718036.db2.gz FNIFDOCAEHYEMQ-UHFFFAOYSA-N 0 3 340.405 0.860 20 5 ECBDHN O=C(N[C@H]1C[C@H](CNCc2nnc(C3CC3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983649628 744993356 /nfs/dbraw/zinc/99/33/56/744993356.db2.gz PQIYYNBCLRDVNY-HJQYOEGKSA-N 0 3 335.364 0.597 20 5 ECBDHN O=C(NCC1CN(C(=O)c2ccn3cncc3c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001804393 746735719 /nfs/dbraw/zinc/73/57/19/746735719.db2.gz BLLMXWIYYLRUCB-ZIAGYGMSSA-N 0 3 343.343 0.188 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000996363960 757422444 /nfs/dbraw/zinc/42/24/44/757422444.db2.gz PKZUZHKIIWUQDF-UHFFFAOYSA-N 0 3 333.352 0.446 20 5 ECBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(NCc2nc(CC3CC3)no2)CC1 ZINC000996441378 757609120 /nfs/dbraw/zinc/60/91/20/757609120.db2.gz QYTMLBDGPHFYLS-CHWSQXEVSA-N 0 3 349.391 0.768 20 5 ECBDHN CC(C)(C)n1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001022064122 758227895 /nfs/dbraw/zinc/22/78/95/758227895.db2.gz XCCIOAIUMMHUAK-LYIQGSDWSA-N 0 3 336.396 0.435 20 5 ECBDHN Cc1cncn1CC(=O)N[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001022437581 758726873 /nfs/dbraw/zinc/72/68/73/758726873.db2.gz RDSKGZNBINXVNN-TXEJJXNPSA-N 0 3 347.379 0.270 20 5 ECBDHN CCN(CC)CC(=O)N(CC)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001106775817 768928399 /nfs/dbraw/zinc/92/83/99/768928399.db2.gz GTLGBFOZVCCRSZ-UHFFFAOYSA-N 0 3 339.400 0.569 20 5 ECBDHN Cc1nnsc1CN1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045437206 775609339 /nfs/dbraw/zinc/60/93/39/775609339.db2.gz ITFHEMGXQCITNN-GHMZBOCLSA-N 0 3 339.421 0.982 20 5 ECBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(CC(=O)N2CCCC2)CC1 ZINC001045436251 775609876 /nfs/dbraw/zinc/60/98/76/775609876.db2.gz OADLHDVQCIDHHR-CHWSQXEVSA-N 0 3 338.408 0.245 20 5 ECBDHN NC(=O)C(=O)N1CCC2(C1)CCN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001040828628 783521830 /nfs/dbraw/zinc/52/18/30/783521830.db2.gz OGKFHDHWEQDIFM-UHFFFAOYSA-N 0 3 346.387 0.895 20 5 ECBDHN Cc1cncn1CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389965 793078309 /nfs/dbraw/zinc/07/83/09/793078309.db2.gz YASAZTLHUUGINJ-CHWSQXEVSA-N 0 3 337.380 0.164 20 5 ECBDHN CN(C)CCOc1cc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)ccn1 ZINC000124005205 201094730 /nfs/dbraw/zinc/09/47/30/201094730.db2.gz SJYOGHZTIAFNRM-UHFFFAOYSA-N 0 3 348.363 0.443 20 5 ECBDHN CN(C)CCNC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174839433 207063752 /nfs/dbraw/zinc/06/37/52/207063752.db2.gz LQVQHGIMUUNHPI-UHFFFAOYSA-N 0 3 338.412 0.181 20 5 ECBDHN CN(C)CCOC1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357259112 299550667 /nfs/dbraw/zinc/55/06/67/299550667.db2.gz FRERTGIMCYBPOO-UHFFFAOYSA-N 0 3 337.380 0.636 20 5 ECBDHN COC(=O)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000248957560 165191640 /nfs/dbraw/zinc/19/16/40/165191640.db2.gz ATYVCLHCGGGASB-KGYLQXTDSA-N 0 3 326.353 0.283 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@@H]1CC[NH2+]C1 ZINC000261975646 165270994 /nfs/dbraw/zinc/27/09/94/165270994.db2.gz QOOVWMMYSCGYHM-JTQLQIEISA-N 0 3 329.378 0.881 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C[C@@H]1C ZINC000262737732 165379158 /nfs/dbraw/zinc/37/91/58/165379158.db2.gz AZKJKXAMKQZBCL-GXSJLCMTSA-N 0 3 329.378 0.880 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C1CC[NH2+]CC1)OCCO2 ZINC000262741531 165380236 /nfs/dbraw/zinc/38/02/36/165380236.db2.gz JGLFYRCBXKXKLH-UHFFFAOYSA-N 0 3 343.361 0.396 20 5 ECBDHN COC(=O)C1CCN(CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000270688506 263263148 /nfs/dbraw/zinc/26/31/48/263263148.db2.gz GVBDYITVPNGVDW-UHFFFAOYSA-N 0 3 339.352 0.323 20 5 ECBDHN COC(=O)C1CCN(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000270688506 263263149 /nfs/dbraw/zinc/26/31/49/263263149.db2.gz GVBDYITVPNGVDW-UHFFFAOYSA-N 0 3 339.352 0.323 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000283027431 264078949 /nfs/dbraw/zinc/07/89/49/264078949.db2.gz MRMDBFNPWFDANC-SECBINFHSA-N 0 3 329.334 0.381 20 5 ECBDHN CNC(=O)c1ccc(N2CCO[C@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000284556059 264226828 /nfs/dbraw/zinc/22/68/28/264226828.db2.gz MXLPESSMARFMQY-GJZGRUSLSA-N 0 3 334.376 0.864 20 5 ECBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1 ZINC000424224285 277430883 /nfs/dbraw/zinc/43/08/83/277430883.db2.gz JRUCAIFTBMZYSC-UONOGXRCSA-N 0 3 345.359 0.904 20 5 ECBDHN C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000347605119 298474025 /nfs/dbraw/zinc/47/40/25/298474025.db2.gz IYYCBPRGBUNBBB-ZCFIWIBFSA-N 0 3 338.183 0.983 20 5 ECBDHN C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H](c1ccccc1)N(C)C ZINC000349222345 298658796 /nfs/dbraw/zinc/65/87/96/298658796.db2.gz YRYCBZOYFWATOT-FZMZJTMJSA-N 0 3 332.364 0.994 20 5 ECBDHN Cc1n[n-]c(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000069743513 435962354 /nfs/dbraw/zinc/96/23/54/435962354.db2.gz LAHFGYDRVGSHNB-GFCCVEGCSA-N 0 3 337.380 0.811 20 5 ECBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)Cn3cccn3)C2)nc1 ZINC000072665158 436052560 /nfs/dbraw/zinc/05/25/60/436052560.db2.gz AXSFKCUTNSSZGP-GXTWGEPZSA-N 0 3 332.364 0.734 20 5 ECBDHN Cc1cc(C)c(S(=O)(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000192078314 301198141 /nfs/dbraw/zinc/19/81/41/301198141.db2.gz VOGVWIMGLWSDDQ-AWEZNQCLSA-N 0 3 345.421 0.803 20 5 ECBDHN CN1CCN(CCCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000075724370 436173032 /nfs/dbraw/zinc/17/30/32/436173032.db2.gz YTMBQARYHICORO-UHFFFAOYSA-N 0 3 336.392 0.727 20 5 ECBDHN C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000378369026 301433452 /nfs/dbraw/zinc/43/34/52/301433452.db2.gz INUUYMLUEXWXKS-LLVKDONJSA-N 0 3 336.396 0.558 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000394826740 301453491 /nfs/dbraw/zinc/45/34/91/301453491.db2.gz XJLGRPVMRWFACX-QMMMGPOBSA-N 0 3 339.320 0.864 20 5 ECBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000083246458 436370180 /nfs/dbraw/zinc/37/01/80/436370180.db2.gz IKZRLENXLPKIHS-CQSZACIVSA-N 0 3 339.392 0.599 20 5 ECBDHN COCCOC[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550970 436432858 /nfs/dbraw/zinc/43/28/58/436432858.db2.gz BAOOJKNRBBRBPO-CYBMUJFWSA-N 0 3 325.365 0.741 20 5 ECBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC1CCN(Cc2ccccc2)CC1 ZINC000048244977 436445050 /nfs/dbraw/zinc/44/50/50/436445050.db2.gz KIPDTGYELOXDIS-UHFFFAOYSA-N 0 3 344.375 0.967 20 5 ECBDHN CCN1CCN(CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000147649972 436682040 /nfs/dbraw/zinc/68/20/40/436682040.db2.gz WSYHZUOPBZJXJX-UHFFFAOYSA-N 0 3 335.408 0.934 20 5 ECBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000237318864 436730547 /nfs/dbraw/zinc/73/05/47/436730547.db2.gz KRPUFXWBXJTFSP-UHFFFAOYSA-N 0 3 326.309 0.777 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCN1CC[NH2+]CC1 ZINC000237666286 436741504 /nfs/dbraw/zinc/74/15/04/436741504.db2.gz WDIWXOSKJFJKOJ-UHFFFAOYSA-N 0 3 328.394 0.087 20 5 ECBDHN COCCN(C)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000068336814 436741825 /nfs/dbraw/zinc/74/18/25/436741825.db2.gz XWEDJMCNXGUFRX-UHFFFAOYSA-N 0 3 348.363 0.484 20 5 ECBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000273279661 436742331 /nfs/dbraw/zinc/74/23/31/436742331.db2.gz DDCZAHYCAWTMQT-GFCCVEGCSA-N 0 3 328.365 0.257 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000152986711 436745289 /nfs/dbraw/zinc/74/52/89/436745289.db2.gz ZGACGFFBXFBGQQ-ZDUSSCGKSA-N 0 3 326.309 0.545 20 5 ECBDHN C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000124547235 436753765 /nfs/dbraw/zinc/75/37/65/436753765.db2.gz WVNZOMAIEXFDQP-GFCCVEGCSA-N 0 3 336.396 0.995 20 5 ECBDHN CCN1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154873286 436787481 /nfs/dbraw/zinc/78/74/81/436787481.db2.gz VOBNKZUQDAZVBK-UHFFFAOYSA-N 0 3 334.376 0.879 20 5 ECBDHN CN1CC=C(CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000273978221 436791598 /nfs/dbraw/zinc/79/15/98/436791598.db2.gz QDNWWOJOZNAXCF-UHFFFAOYSA-N 0 3 326.378 0.916 20 5 ECBDHN CCN1CC[C@H]2OCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000293893721 436916925 /nfs/dbraw/zinc/91/69/25/436916925.db2.gz LZBKAFNOHMXJMI-UONOGXRCSA-N 0 3 337.380 0.503 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(CCCO)C1 ZINC000295624118 436975457 /nfs/dbraw/zinc/97/54/57/436975457.db2.gz YXCYBAMQAAJOLE-CYBMUJFWSA-N 0 3 337.376 0.937 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](OCc3ccncc3)C2)c1 ZINC000280935523 436934255 /nfs/dbraw/zinc/93/42/55/436934255.db2.gz HLJYWYCVPBJXAD-CVEARBPZSA-N 0 3 347.375 0.838 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCOCCO ZINC000282497638 437013574 /nfs/dbraw/zinc/01/35/74/437013574.db2.gz NJJIAUWEBWIWHE-UHFFFAOYSA-N 0 3 341.364 0.873 20 5 ECBDHN COCCN(CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297716074 437014310 /nfs/dbraw/zinc/01/43/10/437014310.db2.gz BEHZQJRLNPGSHQ-UHFFFAOYSA-N 0 3 341.364 0.873 20 5 ECBDHN COc1ccc(NC(=O)CCN(CCO)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000298626223 437045284 /nfs/dbraw/zinc/04/52/84/437045284.db2.gz VINJOLJKMXKFDW-LLVKDONJSA-N 0 3 341.364 0.607 20 5 ECBDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331679373 437142317 /nfs/dbraw/zinc/14/23/17/437142317.db2.gz SHVNCZHSZWHZAS-ZIAGYGMSSA-N 0 3 346.387 0.988 20 5 ECBDHN CN1CCO[C@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000331884030 437174397 /nfs/dbraw/zinc/17/43/97/437174397.db2.gz FKWLNIYHOSYNGB-GJZGRUSLSA-N 0 3 334.376 0.938 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1[C@@H](CO)CC[C@@H]1CO ZINC000287392784 437185306 /nfs/dbraw/zinc/18/53/06/437185306.db2.gz NNDRLRKWMDGWKY-JHJVBQTASA-N 0 3 326.349 0.152 20 5 ECBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000177806918 437198071 /nfs/dbraw/zinc/19/80/71/437198071.db2.gz ITMHAZNNUFKYSC-OLZOCXBDSA-N 0 3 334.376 0.842 20 5 ECBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCC2=CCCOC2)c1 ZINC000178162499 437208360 /nfs/dbraw/zinc/20/83/60/437208360.db2.gz HUNFDTXOZJNFCI-UHFFFAOYSA-N 0 3 341.389 0.809 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](CO)CN1CCCCC1 ZINC000288417530 437320411 /nfs/dbraw/zinc/32/04/11/437320411.db2.gz GXYSLZLTSUZFOB-CYBMUJFWSA-N 0 3 337.376 0.937 20 5 ECBDHN CN(C)[C@]1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCSC1 ZINC000269027275 437446570 /nfs/dbraw/zinc/44/65/70/437446570.db2.gz HKSXQHHCNGVFRY-ZDUSSCGKSA-N 0 3 342.425 0.528 20 5 ECBDHN CC(C)[C@@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269060067 437449840 /nfs/dbraw/zinc/44/98/40/437449840.db2.gz JOPDPKUNRHVVRC-CQSZACIVSA-N 0 3 334.376 0.863 20 5 ECBDHN CCN(C)CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000354020782 437507910 /nfs/dbraw/zinc/50/79/10/437507910.db2.gz UMYLMQJMYGGBCO-UHFFFAOYSA-N 0 3 337.380 0.462 20 5 ECBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465750 437767751 /nfs/dbraw/zinc/76/77/51/437767751.db2.gz ZCCANKOOONFSFI-LLVKDONJSA-N 0 3 325.369 0.511 20 5 ECBDHN C[C@@H](CO)N1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000364938009 437829308 /nfs/dbraw/zinc/82/93/08/437829308.db2.gz SKGTVXVHOMWOJK-ZDUSSCGKSA-N 0 3 337.376 0.889 20 5 ECBDHN CC(C)c1[nH]nc(C(=O)N2CCCN([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347098156 437832572 /nfs/dbraw/zinc/83/25/72/437832572.db2.gz LKHFOBWIVBEIEB-NSHDSACASA-N 0 3 339.396 0.970 20 5 ECBDHN N[C@@H]1C[C@@H]1C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000424196519 437901653 /nfs/dbraw/zinc/90/16/53/437901653.db2.gz ZVPLCMGVMYLQRW-NWDGAFQWSA-N 0 3 344.375 0.857 20 5 ECBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CN2CCN1CCC2 ZINC000371268330 437909199 /nfs/dbraw/zinc/90/91/99/437909199.db2.gz JDTHBSNMEOAOIH-CYBMUJFWSA-N 0 3 330.348 0.800 20 5 ECBDHN COc1ccc(S(=O)(=O)NC[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000416492645 437943851 /nfs/dbraw/zinc/94/38/51/437943851.db2.gz AQJCJVJEXFPSMK-SNVBAGLBSA-N 0 3 329.378 0.833 20 5 ECBDHN CN(C[C@@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1)C1CC1 ZINC000357444150 437990777 /nfs/dbraw/zinc/99/07/77/437990777.db2.gz XLMFGINPVOVZLY-GFCCVEGCSA-N 0 3 334.336 0.404 20 5 ECBDHN CO[C@@H]1C[C@H](CN2CCCC2)N(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000348001917 437997309 /nfs/dbraw/zinc/99/73/09/437997309.db2.gz DSWHNWXIFBARPS-VXGBXAGGSA-N 0 3 337.380 0.654 20 5 ECBDHN CNC(=O)N[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342362286 438012049 /nfs/dbraw/zinc/01/20/49/438012049.db2.gz ZTXHYEYFLVGGOG-LBPRGKRZSA-N 0 3 335.364 0.927 20 5 ECBDHN NC[C@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000418917396 438247565 /nfs/dbraw/zinc/24/75/65/438247565.db2.gz AYXXWZKHOWIFMW-HNNXBMFYSA-N 0 3 348.403 0.887 20 5 ECBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000368486830 438336874 /nfs/dbraw/zinc/33/68/74/438336874.db2.gz DRGLOYQGUSJZEX-INIZCTEOSA-N 0 3 332.404 0.986 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000368859104 438392403 /nfs/dbraw/zinc/39/24/03/438392403.db2.gz FHBYLGPPEDOLSY-UKRRQHHQSA-N 0 3 335.360 0.953 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000368859102 438393645 /nfs/dbraw/zinc/39/36/45/438393645.db2.gz FHBYLGPPEDOLSY-DZGCQCFKSA-N 0 3 335.360 0.953 20 5 ECBDHN COC(=O)CC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438836010 438486776 /nfs/dbraw/zinc/48/67/76/438486776.db2.gz XWVSDHBPSDINII-ZDUSSCGKSA-N 0 3 326.353 0.427 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCN1CCCO ZINC000452355899 438654974 /nfs/dbraw/zinc/65/49/74/438654974.db2.gz ZFAYHGIIHIYHIQ-ZDUSSCGKSA-N 0 3 337.376 0.937 20 5 ECBDHN COCCN(C)C[C@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000574771782 438720469 /nfs/dbraw/zinc/72/04/69/438720469.db2.gz WKVBODMFBVDIKU-VIFPVBQESA-N 0 3 342.377 0.305 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456160048 438759498 /nfs/dbraw/zinc/75/94/98/438759498.db2.gz GGNVDJDUAOWULA-CORIIIEPSA-N 0 3 346.387 0.876 20 5 ECBDHN CN1CCC[C@H](N2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)C1 ZINC000587979563 438811701 /nfs/dbraw/zinc/81/17/01/438811701.db2.gz JKHWNGDJXMYRNP-AWEZNQCLSA-N 0 3 349.435 0.886 20 5 ECBDHN CCOc1cc(C(=O)NC[C@@H]2CNCCO2)c([N+](=O)[O-])cc1OC ZINC000577721507 438863956 /nfs/dbraw/zinc/86/39/56/438863956.db2.gz MIJAHRFUIQFVFG-JTQLQIEISA-N 0 3 339.348 0.720 20 5 ECBDHN CC(C)NC(=O)[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595850811 438871103 /nfs/dbraw/zinc/87/11/03/438871103.db2.gz POUKIECFXJKBEJ-GXTWGEPZSA-N 0 3 339.396 0.389 20 5 ECBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000595992969 438910806 /nfs/dbraw/zinc/91/08/06/438910806.db2.gz YWCLQVLPAWPBAP-UHFFFAOYSA-N 0 3 347.331 0.634 20 5 ECBDHN CN1CCN(CC2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590564238 438932150 /nfs/dbraw/zinc/93/21/50/438932150.db2.gz YYAQUFKBOMIILG-UHFFFAOYSA-N 0 3 347.419 0.713 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596288906 438951242 /nfs/dbraw/zinc/95/12/42/438951242.db2.gz QQWOJNKBFKJJML-SNVBAGLBSA-N 0 3 335.364 0.250 20 5 ECBDHN Cn1cc(CN2CCN(C(=O)CN3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602457754 439090634 /nfs/dbraw/zinc/09/06/34/439090634.db2.gz CWCNMMDVSMZMNH-UHFFFAOYSA-N 0 3 336.396 0.068 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000569258513 439318477 /nfs/dbraw/zinc/31/84/77/439318477.db2.gz TZBQCHHBFAYDFO-GJZGRUSLSA-N 0 3 332.360 0.683 20 5 ECBDHN Cc1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)c(C)c1[N+](=O)[O-] ZINC000598715768 439308031 /nfs/dbraw/zinc/30/80/31/439308031.db2.gz SZSUIUALDMANIU-NSHDSACASA-N 0 3 329.378 0.478 20 5 ECBDHN CN(C)CCN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000593235460 439356347 /nfs/dbraw/zinc/35/63/47/439356347.db2.gz RJPHMIOVZDVBGG-UHFFFAOYSA-N 0 3 334.376 0.370 20 5 ECBDHN Cc1ccc(C)c(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1[N+](=O)[O-] ZINC000583325299 439448442 /nfs/dbraw/zinc/44/84/42/439448442.db2.gz HKBKCQZUZVNGSH-LBPRGKRZSA-N 0 3 342.421 0.475 20 5 ECBDHN Cc1c(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594241612 439530408 /nfs/dbraw/zinc/53/04/08/439530408.db2.gz DWFSFXTXCYBRRC-UONOGXRCSA-N 0 3 334.376 0.864 20 5 ECBDHN Nc1nccc(C(=O)N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007520 439593393 /nfs/dbraw/zinc/59/33/93/439593393.db2.gz ATHFBLLWLMKTSY-UHFFFAOYSA-N 0 3 349.391 0.899 20 5 ECBDHN Cc1cc(C)c(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000572648840 439598265 /nfs/dbraw/zinc/59/82/65/439598265.db2.gz RVFVLMRZRSMBFB-GFCCVEGCSA-N 0 3 342.421 0.475 20 5 ECBDHN COc1cc(CNCc2nc(C[NH3+])cc(=O)[n-]2)c([N+](=O)[O-])cc1OC ZINC000600771774 439700381 /nfs/dbraw/zinc/70/03/81/439700381.db2.gz BBEJGSGFKHGTQG-UHFFFAOYSA-N 0 3 349.347 0.856 20 5 ECBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC000617457937 439887453 /nfs/dbraw/zinc/88/74/53/439887453.db2.gz NMTDRPKVUSBGFP-GFCCVEGCSA-N 0 3 340.405 0.735 20 5 ECBDHN CS[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1N(C)C ZINC000272101154 320556265 /nfs/dbraw/zinc/55/62/65/320556265.db2.gz ZOXBLRJQYJXQII-STQMWFEESA-N 0 3 326.422 0.734 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNc1ccncc1 ZINC000347863537 321255923 /nfs/dbraw/zinc/25/59/23/321255923.db2.gz NKDDWTJVIFHMQC-UHFFFAOYSA-N 0 3 343.343 0.887 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1O ZINC000560636535 322248100 /nfs/dbraw/zinc/24/81/00/322248100.db2.gz WCTNYDMCLGEDRR-GJZGRUSLSA-N 0 3 345.359 0.527 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000564584405 322381737 /nfs/dbraw/zinc/38/17/37/322381737.db2.gz DYRTWZHPCVVZTN-OLZOCXBDSA-N 0 3 347.375 0.086 20 5 ECBDHN C[C@@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000564852038 322399655 /nfs/dbraw/zinc/39/96/55/322399655.db2.gz UPCHJGHCGYZJOX-WDEREUQCSA-N 0 3 332.378 0.357 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496962 322539145 /nfs/dbraw/zinc/53/91/45/322539145.db2.gz VUNKUJKDXGXWLB-NWDGAFQWSA-N 0 3 347.375 0.167 20 5 ECBDHN CCCNC(=O)CN(CCC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266555553 535065114 /nfs/dbraw/zinc/06/51/14/535065114.db2.gz VWBXBAJDHBOPKX-CYBMUJFWSA-N 0 3 327.385 0.390 20 5 ECBDHN COC(=O)COc1ccc(CNCC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000788962892 578846157 /nfs/dbraw/zinc/84/61/57/578846157.db2.gz KURSZKDAUPJWDL-JOCHJYFZSA-N 0 3 330.362 0.615 20 5 ECBDHN CN1CCC(ONC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000774289856 579245099 /nfs/dbraw/zinc/24/50/99/579245099.db2.gz FWOMCAQSJHFQSN-UHFFFAOYSA-N 0 3 346.347 0.931 20 5 ECBDHN CC(COC(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1)[N+](=O)[O-] ZINC000838963501 586831639 /nfs/dbraw/zinc/83/16/39/586831639.db2.gz BHQFIGBTMZRRPU-VHSXEESVSA-N 0 3 329.330 0.820 20 5 ECBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1 ZINC000806630875 587101865 /nfs/dbraw/zinc/10/18/65/587101865.db2.gz IOCWWEMKDZMXNZ-GFCCVEGCSA-N 0 3 333.348 0.383 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000844042908 589090926 /nfs/dbraw/zinc/09/09/26/589090926.db2.gz XGIQDTPELJKDER-SNVBAGLBSA-N 0 3 335.364 0.369 20 5 ECBDHN CC(=O)NCC(=O)N1CCc2cc(C(=O)OCC(C)[N+](=O)[O-])ccc21 ZINC000813100026 587247920 /nfs/dbraw/zinc/24/79/20/587247920.db2.gz KKHUDICGDSIZLM-JTQLQIEISA-N 0 3 349.343 0.534 20 5 ECBDHN CC(COC(=O)CCNS(=O)(=O)c1ccccc1F)[N+](=O)[O-] ZINC000813105379 587248358 /nfs/dbraw/zinc/24/83/58/587248358.db2.gz YIQZGGFNERAMGW-SECBINFHSA-N 0 3 334.325 0.703 20 5 ECBDHN CC(COC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)[N+](=O)[O-] ZINC000813114815 587248927 /nfs/dbraw/zinc/24/89/27/587248927.db2.gz WQKMNCWURAFGDC-UFBFGSQYSA-N 0 3 338.295 0.454 20 5 ECBDHN CC(COC(=O)c1cnn(C)c1I)[N+](=O)[O-] ZINC000816091993 587306158 /nfs/dbraw/zinc/30/61/58/587306158.db2.gz PNPXUXCTWJLWDK-RXMQYKEDSA-N 0 3 339.089 0.847 20 5 ECBDHN CN1C[C@@H]2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000816952327 587330105 /nfs/dbraw/zinc/33/01/05/587330105.db2.gz IDCWGUTZZFDTMQ-GXTWGEPZSA-N 0 3 333.344 0.949 20 5 ECBDHN Cc1ncc2c(n1)CCC[C@@H]2NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819078323 587467261 /nfs/dbraw/zinc/46/72/61/587467261.db2.gz IVDXKAVMDUCIIC-OCCSQVGLSA-N 0 3 332.364 0.918 20 5 ECBDHN COCCN(CCN(C)C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825722560 587957488 /nfs/dbraw/zinc/95/74/88/587957488.db2.gz WEKXHQVTMVVFMZ-AWEZNQCLSA-N 0 3 325.365 0.665 20 5 ECBDHN Cc1cncn1CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943699328 610943405 /nfs/dbraw/zinc/94/34/05/610943405.db2.gz DARGKSVBEOOSPY-AAVRWANBSA-N 0 3 349.391 0.400 20 5 ECBDHN COCCN1[C@H](C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000246716564 612500756 /nfs/dbraw/zinc/50/07/56/612500756.db2.gz NVMQHQPYRROVNZ-VNHYZAJKSA-N 0 3 341.412 0.193 20 5 ECBDHN CCn1nc(C)cc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001167263646 733107595 /nfs/dbraw/zinc/10/75/95/733107595.db2.gz HWFVULHTBGPBQN-UHFFFAOYSA-N 0 3 349.395 0.763 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2cnco2)CC1 ZINC000996854313 742952855 /nfs/dbraw/zinc/95/28/55/742952855.db2.gz ZNRCSSMYNMCNCN-UHFFFAOYSA-N 0 3 334.336 0.711 20 5 ECBDHN O=C(N[C@H]1C[C@H](CNCc2nc(C3CCC3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983657128 745008724 /nfs/dbraw/zinc/00/87/24/745008724.db2.gz HTUUPRWQHBNLEF-OJAKKHQRSA-N 0 3 349.391 0.987 20 5 ECBDHN Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNCc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000984905957 747089738 /nfs/dbraw/zinc/08/97/38/747089738.db2.gz VEUFXATWDUHBAO-XYPYZODXSA-N 0 3 347.379 0.658 20 5 ECBDHN Cn1cncc1CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981764986 751077055 /nfs/dbraw/zinc/07/70/55/751077055.db2.gz MERXKZNWJCUTJE-ZIAGYGMSSA-N 0 3 333.392 0.510 20 5 ECBDHN Cn1cccc1C(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC000983191494 754826454 /nfs/dbraw/zinc/82/64/54/754826454.db2.gz SGSJIWUAXIDUOK-HAQNSBGRSA-N 0 3 346.391 0.965 20 5 ECBDHN Cn1cnc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)n1 ZINC001022044423 758204405 /nfs/dbraw/zinc/20/44/05/758204405.db2.gz ZFHLCTDFBSHZBI-TXEJJXNPSA-N 0 3 330.348 0.774 20 5 ECBDHN O=C(N[C@H]1C[C@@H](NCc2nnc(-c3ccco3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063927 758226612 /nfs/dbraw/zinc/22/66/12/758226612.db2.gz PMIITYJGWLIWIE-LMLFDSFASA-N 0 3 347.331 0.732 20 5 ECBDHN O=C(N[C@H]1C[C@@H](NCc2nnc(C3CC3)s2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064105 758228264 /nfs/dbraw/zinc/22/82/64/758228264.db2.gz WMNKUQMPONSAOC-LMLFDSFASA-N 0 3 337.405 0.818 20 5 ECBDHN CN(C)C1(C(=O)N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CCC1 ZINC001055927710 770247964 /nfs/dbraw/zinc/24/79/64/770247964.db2.gz PHSKWHKWWPRROK-UHFFFAOYSA-N 0 3 349.395 0.100 20 5 ECBDHN Cn1ccnc1CN1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001040699344 783295037 /nfs/dbraw/zinc/29/50/37/783295037.db2.gz CCXCSNCBELQEQI-ZIAGYGMSSA-N 0 3 347.419 0.900 20 5 ECBDHN COCCCN(C(=O)c1c([N+](=O)[O-])cnn1C)C1CCN(C)CC1 ZINC000427721418 210213980 /nfs/dbraw/zinc/21/39/80/210213980.db2.gz PYSIJOGBBNGCGB-UHFFFAOYSA-N 0 3 339.396 0.901 20 5 ECBDHN CNC(=O)[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181867517 529922452 /nfs/dbraw/zinc/92/24/52/529922452.db2.gz PLYWAYMVIWOINA-STQMWFEESA-N 0 3 337.376 0.793 20 5 ECBDHN CN1CCC(O)(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000354730296 299109690 /nfs/dbraw/zinc/10/96/90/299109690.db2.gz GZTNYOZZSLLGEF-UHFFFAOYSA-N 0 3 325.369 0.099 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425546063 210069263 /nfs/dbraw/zinc/06/92/63/210069263.db2.gz KMRAGTGKISLXDL-VXGBXAGGSA-N 0 3 333.348 0.942 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCCO2)c1C ZINC000420448003 209369012 /nfs/dbraw/zinc/36/90/12/209369012.db2.gz DJCYNQJVZXYGHH-GFCCVEGCSA-N 0 3 343.405 0.868 20 5 ECBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420054988 209292355 /nfs/dbraw/zinc/29/23/55/209292355.db2.gz GCVOWPZOONWQBJ-CQSZACIVSA-N 0 3 334.376 0.449 20 5 ECBDHN CCCNC(=O)[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075676431 203322533 /nfs/dbraw/zinc/32/25/33/203322533.db2.gz GVEBHSPSVGEKNH-OCCSQVGLSA-N 0 3 339.396 0.390 20 5 ECBDHN CS(=O)(=O)c1cc(C(=O)N[C@@H](CN)C2CC2)cc([N+](=O)[O-])c1 ZINC000237424162 204583173 /nfs/dbraw/zinc/58/31/73/204583173.db2.gz BAOJJLRRUUAZBD-LBPRGKRZSA-N 0 3 327.362 0.465 20 5 ECBDHN NC1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCC1 ZINC000449230962 211277670 /nfs/dbraw/zinc/27/76/70/211277670.db2.gz MYHDBPADCBPUAD-UHFFFAOYSA-N 0 3 338.389 0.822 20 5 ECBDHN Cc1nn(C)c(C(=O)NC[C@@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267384498 251006884 /nfs/dbraw/zinc/00/68/84/251006884.db2.gz ZPTWNOLUWCXCKW-ZDUSSCGKSA-N 0 3 327.410 0.804 20 5 ECBDHN CC(C)(CN1CCOCC1)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412001808 208186247 /nfs/dbraw/zinc/18/62/47/208186247.db2.gz IFAXAAZAZJIDQQ-UHFFFAOYSA-N 0 3 336.392 0.894 20 5 ECBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CNCCO1 ZINC000420474160 209373629 /nfs/dbraw/zinc/37/36/29/209373629.db2.gz FPTGGQMRCYMJPI-LBPRGKRZSA-N 0 3 329.378 0.478 20 5 ECBDHN COCCNCCNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418783155 208848855 /nfs/dbraw/zinc/84/88/55/208848855.db2.gz NZKWFHANNPGGAM-NSHDSACASA-N 0 3 338.364 0.124 20 5 ECBDHN CS(=O)(=O)C1(C(=O)NCc2ccccc2[N+](=O)[O-])CCNCC1 ZINC000262048000 165282181 /nfs/dbraw/zinc/28/21/81/165282181.db2.gz HAMOXABRIGCLNJ-UHFFFAOYSA-N 0 3 341.389 0.378 20 5 ECBDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331688176 296957636 /nfs/dbraw/zinc/95/76/36/296957636.db2.gz WHGKTSILBMYTIO-UONOGXRCSA-N 0 3 346.387 0.988 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000270843457 263278278 /nfs/dbraw/zinc/27/82/78/263278278.db2.gz WDKZPQCAOYVPJU-VXGBXAGGSA-N 0 3 339.396 0.948 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283775823 264151008 /nfs/dbraw/zinc/15/10/08/264151008.db2.gz SBBPQRYBXZFXRR-HNNXBMFYSA-N 0 3 342.371 0.842 20 5 ECBDHN CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@@H+]1CCOC ZINC000285950546 264354408 /nfs/dbraw/zinc/35/44/08/264354408.db2.gz ZJDIKKVMIRVDJD-LLVKDONJSA-N 0 3 325.369 0.891 20 5 ECBDHN CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@H+]1CCOC ZINC000285950546 264354410 /nfs/dbraw/zinc/35/44/10/264354410.db2.gz ZJDIKKVMIRVDJD-LLVKDONJSA-N 0 3 325.369 0.891 20 5 ECBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C[C@@H]21 ZINC000375036151 277178297 /nfs/dbraw/zinc/17/82/97/277178297.db2.gz FTZDWPYQQIZRSJ-GWCFXTLKSA-N 0 3 340.405 0.773 20 5 ECBDHN CC(C)[C@@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000347467773 298457286 /nfs/dbraw/zinc/45/72/86/298457286.db2.gz BCFICJBIWNOSSK-GFCCVEGCSA-N 0 3 340.405 0.924 20 5 ECBDHN O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[n-]1 ZINC000354519493 299063350 /nfs/dbraw/zinc/06/33/50/299063350.db2.gz FRFGBNJXVHEGOF-CHWSQXEVSA-N 0 3 345.359 0.683 20 5 ECBDHN O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[n-]1 ZINC000354519493 299063351 /nfs/dbraw/zinc/06/33/51/299063351.db2.gz FRFGBNJXVHEGOF-CHWSQXEVSA-N 0 3 345.359 0.683 20 5 ECBDHN CN(C)CCN1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000363891694 300304017 /nfs/dbraw/zinc/30/40/17/300304017.db2.gz UPNHZJCNKTWZPL-UHFFFAOYSA-N 0 3 336.396 0.282 20 5 ECBDHN COC(=O)C[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075682891 436173550 /nfs/dbraw/zinc/17/35/50/436173550.db2.gz JAHBEBDNEHQXRA-AAEUAGOBSA-N 0 3 326.353 0.570 20 5 ECBDHN CC(C)C(=O)NCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000028265438 436189467 /nfs/dbraw/zinc/18/94/67/436189467.db2.gz YSAVHHQWFAHKMV-GFCCVEGCSA-N 0 3 325.365 0.696 20 5 ECBDHN Cc1cc(S(=O)(=O)NC[C@](C)(O)CN(C)C)c(C)cc1[N+](=O)[O-] ZINC000416445293 301462835 /nfs/dbraw/zinc/46/28/35/301462835.db2.gz KUURSKAGKBIKRW-AWEZNQCLSA-N 0 3 345.421 0.803 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccnc(OC(F)F)c2)c1 ZINC000515376346 301639937 /nfs/dbraw/zinc/63/99/37/301639937.db2.gz JSRBAIVMLQZUHT-NSHDSACASA-N 0 3 343.290 0.938 20 5 ECBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000091399992 436450157 /nfs/dbraw/zinc/45/01/57/436450157.db2.gz HCNIBXOPWOSQLY-JTQLQIEISA-N 0 3 339.377 0.790 20 5 ECBDHN CN(C)C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000109133082 436623774 /nfs/dbraw/zinc/62/37/74/436623774.db2.gz YHVXCXPOTTWIIK-HZPDHXFCSA-N 0 3 348.403 0.963 20 5 ECBDHN CN(C)CCN(Cc1ccccn1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000107262621 436609091 /nfs/dbraw/zinc/60/90/91/436609091.db2.gz FVTRBUZWYJNBBU-UHFFFAOYSA-N 0 3 332.364 0.777 20 5 ECBDHN CC[NH+]1CCN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000193991207 436656520 /nfs/dbraw/zinc/65/65/20/436656520.db2.gz GPGCCZBPPXAIGW-UHFFFAOYSA-N 0 3 348.450 0.572 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000552154497 302385653 /nfs/dbraw/zinc/38/56/53/302385653.db2.gz MAMKAZCGHHQIJV-RYUDHWBXSA-N 0 3 337.332 0.113 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCN1C ZINC000139185925 436664617 /nfs/dbraw/zinc/66/46/17/436664617.db2.gz IWRYNAIPAONENM-RISCZKNCSA-N 0 3 334.376 0.924 20 5 ECBDHN O=C1C[C@@H]([C@@H]2CCCCN2CCn2cc([N+](=O)[O-])ccc2=O)CN1 ZINC000125125906 436764117 /nfs/dbraw/zinc/76/41/17/436764117.db2.gz DAQIDYBYCOLVQT-OCCSQVGLSA-N 0 3 334.376 0.747 20 5 ECBDHN Cc1ccc(CN(CCN(C)C)C(=O)Cn2cnc([N+](=O)[O-])n2)o1 ZINC000126054745 436781959 /nfs/dbraw/zinc/78/19/59/436781959.db2.gz GIVOYWYGVRPFKQ-UHFFFAOYSA-N 0 3 336.352 0.678 20 5 ECBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC000246681173 436784970 /nfs/dbraw/zinc/78/49/70/436784970.db2.gz HIZTWFJEBZLBDS-ZIAGYGMSSA-N 0 3 348.359 0.924 20 5 ECBDHN CN1CCN([C@@H]2CCCCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000127077723 436795692 /nfs/dbraw/zinc/79/56/92/436795692.db2.gz GGTWOXABEPCRJW-GFCCVEGCSA-N 0 3 335.412 0.573 20 5 ECBDHN CCN(CCO)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000274570056 436844942 /nfs/dbraw/zinc/84/49/42/436844942.db2.gz QVEUCPXKBUDYBP-UHFFFAOYSA-N 0 3 341.364 0.656 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC[NH+](CCO)CC2)s1 ZINC000161411966 436889320 /nfs/dbraw/zinc/88/93/20/436889320.db2.gz DTRLZRDPTBRPRZ-UHFFFAOYSA-N 0 3 349.434 0.639 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C ZINC000161438642 436889852 /nfs/dbraw/zinc/88/98/52/436889852.db2.gz AYXLSLXXZHNYSN-CYBMUJFWSA-N 0 3 331.394 0.494 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000295418933 436967488 /nfs/dbraw/zinc/96/74/88/436967488.db2.gz UABHYCKHIGPBLL-ZCFIWIBFSA-N 0 3 335.288 0.780 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccnn1CCN(C)C ZINC000294148784 436937310 /nfs/dbraw/zinc/93/73/10/436937310.db2.gz RJSJRRXLIQBANO-UHFFFAOYSA-N 0 3 335.368 0.887 20 5 ECBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000262767879 436941953 /nfs/dbraw/zinc/94/19/53/436941953.db2.gz UTJLGYNHQWROGV-VIFPVBQESA-N 0 3 343.361 0.382 20 5 ECBDHN O=C([C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)N1CCOCC1 ZINC000176201804 437134480 /nfs/dbraw/zinc/13/44/80/437134480.db2.gz SRXREOVBOLSOGW-ZDUSSCGKSA-N 0 3 337.380 0.362 20 5 ECBDHN COC[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000178001472 437204455 /nfs/dbraw/zinc/20/44/55/437204455.db2.gz UYRQVYZGERAEKH-CQSZACIVSA-N 0 3 343.405 0.888 20 5 ECBDHN COc1cc(C(=O)NC[C@@H]2CNCCO2)c([N+](=O)[O-])cc1OC ZINC000322599738 437217526 /nfs/dbraw/zinc/21/75/26/437217526.db2.gz LWAQAKKRADGTLR-VIFPVBQESA-N 0 3 325.321 0.330 20 5 ECBDHN O=C1C[C@]2(CN1)CCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000362409344 437736002 /nfs/dbraw/zinc/73/60/02/437736002.db2.gz FYWQPLYWTBVBOI-YOEHRIQHSA-N 0 3 349.387 0.937 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000416498099 437947057 /nfs/dbraw/zinc/94/70/57/437947057.db2.gz WIKYZKOFXQTJQL-JTQLQIEISA-N 0 3 329.378 0.833 20 5 ECBDHN COc1c(F)cc(S(=O)(=O)NC[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000416498918 437947645 /nfs/dbraw/zinc/94/76/45/437947645.db2.gz ZDPPOOMOVSESMT-VIFPVBQESA-N 0 3 347.368 0.973 20 5 ECBDHN CN1CCC(n2ccc(NC(=O)Nc3ccncc3[N+](=O)[O-])n2)CC1 ZINC000365822905 437977824 /nfs/dbraw/zinc/97/78/24/437977824.db2.gz TWOQPSYVJSZJRZ-UHFFFAOYSA-N 0 3 345.363 1.519 20 5 ECBDHN CN(C[C@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1)C1CC1 ZINC000357444153 437990869 /nfs/dbraw/zinc/99/08/69/437990869.db2.gz XLMFGINPVOVZLY-LBPRGKRZSA-N 0 3 334.336 0.404 20 5 ECBDHN CS[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000342543605 438027715 /nfs/dbraw/zinc/02/77/15/438027715.db2.gz KFRCZRPKRIZKJQ-JHJVBQTASA-N 0 3 329.426 0.130 20 5 ECBDHN CCN1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000357501791 437999942 /nfs/dbraw/zinc/99/99/42/437999942.db2.gz QCGMKNRKPOIZRX-UHFFFAOYSA-N 0 3 336.392 0.971 20 5 ECBDHN COc1cc(C(=O)NC[C@@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1OC ZINC000358051771 438131608 /nfs/dbraw/zinc/13/16/08/438131608.db2.gz DBPJPPSTPFIMOR-HNNXBMFYSA-N 0 3 339.348 0.408 20 5 ECBDHN COCCNCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418504873 438153454 /nfs/dbraw/zinc/15/34/54/438153454.db2.gz CQFZGXZQURJFEV-UHFFFAOYSA-N 0 3 338.364 0.603 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000368859105 438393710 /nfs/dbraw/zinc/39/37/10/438393710.db2.gz FHBYLGPPEDOLSY-ZFWWWQNUSA-N 0 3 335.360 0.953 20 5 ECBDHN CC[C@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000435807823 438387428 /nfs/dbraw/zinc/38/74/28/438387428.db2.gz JZDJRRJBIUPHLR-JTQLQIEISA-N 0 3 333.414 0.820 20 5 ECBDHN CC[C@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000435807823 438387432 /nfs/dbraw/zinc/38/74/32/438387432.db2.gz JZDJRRJBIUPHLR-JTQLQIEISA-N 0 3 333.414 0.820 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000493110998 438606085 /nfs/dbraw/zinc/60/60/85/438606085.db2.gz AZJSMRDOZNCGDV-AGFGORMFSA-N 0 3 330.344 0.378 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](CO)Cc2cccnc2)c1 ZINC000574813264 438721681 /nfs/dbraw/zinc/72/16/81/438721681.db2.gz WIJHMKLBRNQLBS-HOCLYGCPSA-N 0 3 347.371 0.923 20 5 ECBDHN COCCN(CCN(C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000576946623 438805862 /nfs/dbraw/zinc/80/58/62/438805862.db2.gz ZUYZWIRIKAYUQX-UHFFFAOYSA-N 0 3 339.348 0.974 20 5 ECBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@]1(O)CN2CCC1CC2 ZINC000556850794 438793475 /nfs/dbraw/zinc/79/34/75/438793475.db2.gz IHQZCASCPOCMJY-KRWDZBQOSA-N 0 3 348.403 0.970 20 5 ECBDHN Cc1nn(CCC(=O)N[C@@H](CO)CN2CCCC2)c(C)c1[N+](=O)[O-] ZINC000588869383 438845203 /nfs/dbraw/zinc/84/52/03/438845203.db2.gz OCQSQFPOTSZRKE-CYBMUJFWSA-N 0 3 339.396 0.371 20 5 ECBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595947769 438895614 /nfs/dbraw/zinc/89/56/14/438895614.db2.gz NZQSJTNNCBBKRH-GMTAPVOTSA-N 0 3 342.375 0.725 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(CO)(CO)C1 ZINC000595800897 438864409 /nfs/dbraw/zinc/86/44/09/438864409.db2.gz SURHQWKMMBKLFQ-UHFFFAOYSA-N 0 3 337.376 0.909 20 5 ECBDHN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCOC2(CNC2)C1 ZINC000596097824 438925809 /nfs/dbraw/zinc/92/58/09/438925809.db2.gz GTYYUUSFWBQNEQ-UHFFFAOYSA-N 0 3 343.343 0.595 20 5 ECBDHN Cc1nn(C)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000590565677 438935452 /nfs/dbraw/zinc/93/54/52/438935452.db2.gz PJNJJYAVWKFSKP-NWDGAFQWSA-N 0 3 337.380 0.572 20 5 ECBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596175336 438936518 /nfs/dbraw/zinc/93/65/18/438936518.db2.gz RSMACEBCLLSMQZ-LBPRGKRZSA-N 0 3 334.380 0.491 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1=O ZINC000601655428 438950403 /nfs/dbraw/zinc/95/04/03/438950403.db2.gz YBSFADVTPNWMSO-UHFFFAOYSA-N 0 3 338.339 0.580 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601651998 438950711 /nfs/dbraw/zinc/95/07/11/438950711.db2.gz ZOXLHDOIMKQOCL-JTQLQIEISA-N 0 3 338.339 0.926 20 5 ECBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCCNS(=O)(=O)N(C)C ZINC000459534999 438973285 /nfs/dbraw/zinc/97/32/85/438973285.db2.gz JICFZVFBTREFQI-LLVKDONJSA-N 0 3 330.410 0.511 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2COc3ccc(F)cc3C2)c1 ZINC000519594584 439042706 /nfs/dbraw/zinc/04/27/06/439042706.db2.gz HEKLGFHBJIKHNS-TZMCWYRMSA-N 0 3 336.323 0.885 20 5 ECBDHN O=C(CNC[C@@H]1CCCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000567665790 439162026 /nfs/dbraw/zinc/16/20/26/439162026.db2.gz RCEUOOBKUXBFKY-AWEZNQCLSA-N 0 3 349.391 0.407 20 5 ECBDHN O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000597989685 439208030 /nfs/dbraw/zinc/20/80/30/439208030.db2.gz HIGMGAIIVCDVOO-ZDUSSCGKSA-N 0 3 345.359 0.815 20 5 ECBDHN C[C@H]([NH3+])C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592383074 439215954 /nfs/dbraw/zinc/21/59/54/439215954.db2.gz DWFQUYWWVUXFKR-LURJTMIESA-N 0 3 338.183 0.983 20 5 ECBDHN CN1CCC[C@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598595603 439283354 /nfs/dbraw/zinc/28/33/54/439283354.db2.gz KSCCWMJNBSSBOG-GFCCVEGCSA-N 0 3 336.396 0.975 20 5 ECBDHN CN1CCC[C@@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598595604 439283478 /nfs/dbraw/zinc/28/34/78/439283478.db2.gz KSCCWMJNBSSBOG-LBPRGKRZSA-N 0 3 336.396 0.975 20 5 ECBDHN COC(=O)[C@@H]1CNCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592493499 439240539 /nfs/dbraw/zinc/24/05/39/439240539.db2.gz YSRDAAVHTOXPTP-ZDUSSCGKSA-N 0 3 336.348 0.370 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H]2CCS(=O)(=O)C2)c1 ZINC000603495432 439265266 /nfs/dbraw/zinc/26/52/66/439265266.db2.gz YNUQZGGHMGCZFP-DGCLKSJQSA-N 0 3 344.389 0.359 20 5 ECBDHN CN1CC[C@]2(CCN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C2)C1 ZINC000598628088 439291339 /nfs/dbraw/zinc/29/13/39/439291339.db2.gz ZBHOVQLGAPABJH-INIZCTEOSA-N 0 3 348.407 0.753 20 5 ECBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665189 439300936 /nfs/dbraw/zinc/30/09/36/439300936.db2.gz LTEYJVVQEKSUTM-WDEREUQCSA-N 0 3 335.364 0.925 20 5 ECBDHN NC(=O)c1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000569594462 439347732 /nfs/dbraw/zinc/34/77/32/439347732.db2.gz ATRGGYWHIWEZJF-ZDUSSCGKSA-N 0 3 346.343 0.618 20 5 ECBDHN CNc1nc(C(=O)NC[C@]2(O)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000583390709 439459655 /nfs/dbraw/zinc/45/96/55/439459655.db2.gz ZBHKZKRFKWAHOU-HNNXBMFYSA-N 0 3 335.364 0.218 20 5 ECBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594233570 439530605 /nfs/dbraw/zinc/53/06/05/439530605.db2.gz UQUWTKPXIXDFNZ-UONOGXRCSA-N 0 3 334.376 0.598 20 5 ECBDHN COc1cc(OCC(=O)N[C@@H](CN)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594451858 439563456 /nfs/dbraw/zinc/56/34/56/439563456.db2.gz QOKOKRSXIZRZJB-JTQLQIEISA-N 0 3 337.254 0.988 20 5 ECBDHN CN(C)C/C=C/C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000492939662 439589579 /nfs/dbraw/zinc/58/95/79/439589579.db2.gz FARCAJBMIZDINV-VMPITWQZSA-N 0 3 346.387 0.997 20 5 ECBDHN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000594744983 439598370 /nfs/dbraw/zinc/59/83/70/439598370.db2.gz QOLUQPRKCSNEDE-UHFFFAOYSA-N 0 3 349.372 0.896 20 5 ECBDHN COc1cc(OCC(=O)N2CC[C@@H](F)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000595261370 439683198 /nfs/dbraw/zinc/68/31/98/439683198.db2.gz YCCJDTBVKQLYOZ-GHMZBOCLSA-N 0 3 327.312 0.880 20 5 ECBDHN CN(C)C1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000611414364 439697169 /nfs/dbraw/zinc/69/71/69/439697169.db2.gz XCWGTVQGXBXIMU-UHFFFAOYSA-N 0 3 328.394 0.595 20 5 ECBDHN CN(C)C[C@]1(O)CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000618924325 440178504 /nfs/dbraw/zinc/17/85/04/440178504.db2.gz XNOZYJMLDVPJDA-MRXNPFEDSA-N 0 3 337.376 0.889 20 5 ECBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](C)N(C)C ZINC000344654254 321159096 /nfs/dbraw/zinc/15/90/96/321159096.db2.gz LLFMPQXYVMKIAQ-KOLCDFICSA-N 0 3 326.401 0.894 20 5 ECBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531882545 322047545 /nfs/dbraw/zinc/04/75/45/322047545.db2.gz ZKHOPPOLRLBRCB-UHFFFAOYSA-N 0 3 349.391 0.662 20 5 ECBDHN CCN(CCO)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000546718706 322120740 /nfs/dbraw/zinc/12/07/40/322120740.db2.gz OEEATMCSROQDCC-UHFFFAOYSA-N 0 3 325.321 0.368 20 5 ECBDHN O=c1oc2ccccc2n1CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564845647 322398894 /nfs/dbraw/zinc/39/88/94/322398894.db2.gz VJDVNPJMPJYJLL-LBPRGKRZSA-N 0 3 347.331 0.350 20 5 ECBDHN N[C@H]1C[C@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])CCN2C1=O ZINC000566020628 322494528 /nfs/dbraw/zinc/49/45/28/322494528.db2.gz YLTYWGBJLNMGRC-GWCFXTLKSA-N 0 3 327.344 0.891 20 5 ECBDHN CN(C)CCN(Cc1ccccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569863753 322667991 /nfs/dbraw/zinc/66/79/91/322667991.db2.gz QCDUZANALBFDAW-MRXNPFEDSA-N 0 3 348.407 0.611 20 5 ECBDHN Cn1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C(F)(F)F)n1 ZINC000578980944 322881712 /nfs/dbraw/zinc/88/17/12/322881712.db2.gz AQPJCVUXDVOPLH-SNVBAGLBSA-N 0 3 348.285 0.694 20 5 ECBDHN O=C1NC(=O)[C@@]2(CCCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000789380305 578853084 /nfs/dbraw/zinc/85/30/84/578853084.db2.gz XONOQVVWEKDBAE-WFASDCNBSA-N 0 3 334.332 0.302 20 5 ECBDHN Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000842483248 589032096 /nfs/dbraw/zinc/03/20/96/589032096.db2.gz HYXRGPPXLUUJGC-VIFPVBQESA-N 0 3 349.796 0.823 20 5 ECBDHN O=C(Cc1noc([C@@]2(F)CCNC2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000843223610 589054647 /nfs/dbraw/zinc/05/46/47/589054647.db2.gz DRAPZPWPPIRPJD-OAHLLOKOSA-N 0 3 349.322 0.995 20 5 ECBDHN Nc1ccc(N2CCN(C(=O)CN3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000804430101 587085232 /nfs/dbraw/zinc/08/52/32/587085232.db2.gz UYLRMMHDRYLOJY-UHFFFAOYSA-N 0 3 333.392 0.921 20 5 ECBDHN CC(COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)[N+](=O)[O-] ZINC000813107837 587248488 /nfs/dbraw/zinc/24/84/88/587248488.db2.gz XSMNAZBKEPUTRS-GMOBBJLQSA-N 0 3 331.394 0.921 20 5 ECBDHN CN1CCC2(CC1)CN(C(=O)c1cc([N+](=O)[O-])cnc1N)CCO2 ZINC000844095087 589093468 /nfs/dbraw/zinc/09/34/68/589093468.db2.gz SHCORFRSUWKALO-UHFFFAOYSA-N 0 3 335.364 0.509 20 5 ECBDHN CCNCC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000818470416 587431753 /nfs/dbraw/zinc/43/17/53/587431753.db2.gz NUMAZAJERMSZDT-UHFFFAOYSA-N 0 3 344.393 0.136 20 5 ECBDHN COCC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821690935 587622357 /nfs/dbraw/zinc/62/23/57/587622357.db2.gz BRDFBBZQNBBBKX-UHFFFAOYSA-N 0 3 348.367 0.328 20 5 ECBDHN COCC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821690935 587622358 /nfs/dbraw/zinc/62/23/58/587622358.db2.gz BRDFBBZQNBBBKX-UHFFFAOYSA-N 0 3 348.367 0.328 20 5 ECBDHN CCN(CC)CC(=O)N1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823104437 587702780 /nfs/dbraw/zinc/70/27/80/587702780.db2.gz LXLAQWYRDOAMCS-UHFFFAOYSA-N 0 3 342.440 0.835 20 5 ECBDHN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@@H](CO)CN(C)C ZINC000854468506 589588219 /nfs/dbraw/zinc/58/82/19/589588219.db2.gz QYRVBJWUWWALHR-SECBINFHSA-N 0 3 342.327 0.345 20 5 ECBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854641697 589597722 /nfs/dbraw/zinc/59/77/22/589597722.db2.gz FBGGNCRJZMBXTA-OWCLPIDISA-N 0 3 349.387 0.950 20 5 ECBDHN Cc1cc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000861710209 589877417 /nfs/dbraw/zinc/87/74/17/589877417.db2.gz AOJKHTUOKSLLLU-RYUDHWBXSA-N 0 3 334.376 0.767 20 5 ECBDHN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861716562 589878941 /nfs/dbraw/zinc/87/89/41/589878941.db2.gz RPWWGPNYHSGUII-SOUVJXGZSA-N 0 3 335.360 0.296 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H](O)CC2(CCOCC2)C1 ZINC000880581404 590408389 /nfs/dbraw/zinc/40/83/89/590408389.db2.gz AWUOMJYOBSYCSI-CQSZACIVSA-N 0 3 337.376 0.620 20 5 ECBDHN C[C@H]1[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000925316160 611468119 /nfs/dbraw/zinc/46/81/19/611468119.db2.gz XBQFDZWOLIGVQS-JSGCOSHPSA-N 0 3 348.407 0.914 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]3OCCN[C@H]3C2)c1 ZINC000923384540 611236373 /nfs/dbraw/zinc/23/63/73/611236373.db2.gz HDBMURNOPFYFMI-KBMXLJTQSA-N 0 3 337.376 0.397 20 5 ECBDHN Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])n[nH]1 ZINC000952671274 612581805 /nfs/dbraw/zinc/58/18/05/612581805.db2.gz JVACXSLFHTUIIO-GFQSEFKGSA-N 0 3 347.375 0.589 20 5 ECBDHN O=C(N[C@@H]1[C@H]2CN(CCn3cc(Cl)cn3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775930 739944882 /nfs/dbraw/zinc/94/48/82/739944882.db2.gz RMVFIRMDNQKRAB-LBELIVKGSA-N 0 3 339.783 0.248 20 5 ECBDHN O=C(N[C@@H]1[C@H]2CN(Cc3cc(C4CC4)no3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777148 739945813 /nfs/dbraw/zinc/94/58/13/739945813.db2.gz JQLLYCCWLLMMMO-AMVBZWJASA-N 0 3 332.360 0.764 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)Cn2ccnc2)CC1 ZINC000997413893 743580945 /nfs/dbraw/zinc/58/09/45/743580945.db2.gz UMIZPESUEXNMQN-UHFFFAOYSA-N 0 3 347.379 0.306 20 5 ECBDHN Cc1conc1C(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC000985009176 747259058 /nfs/dbraw/zinc/25/90/58/747259058.db2.gz BFDGUWKCNLKRHO-XYPYZODXSA-N 0 3 348.363 0.923 20 5 ECBDHN CNC(=O)C1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001168269573 752386574 /nfs/dbraw/zinc/38/65/74/752386574.db2.gz SCPBHRZBZJECSH-UHFFFAOYSA-N 0 3 334.376 0.717 20 5 ECBDHN Cn1cc(C(=O)N[C@H]2C[C@H](CNCc3c([N+](=O)[O-])ncn3C)C2)cn1 ZINC000983130354 754693076 /nfs/dbraw/zinc/69/30/76/754693076.db2.gz IHTROZXARRIZKI-UMSPYCQHSA-N 0 3 347.379 0.360 20 5 ECBDHN CCn1ccc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@H]3C2)n1 ZINC001048814394 757081363 /nfs/dbraw/zinc/08/13/63/757081363.db2.gz JMZKFVQXHSLRRT-AYRXBEOTSA-N 0 3 333.392 0.458 20 5 ECBDHN O=C(NCCNCc1csc(-c2ncccn2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126949126 757139205 /nfs/dbraw/zinc/13/92/05/757139205.db2.gz MVZDLTHXLMEPMP-GHMZBOCLSA-N 0 3 348.388 0.471 20 5 ECBDHN O=C(N[C@H]1C[C@H](NCc2nnc3n2CCCCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140020 772208096 /nfs/dbraw/zinc/20/80/96/772208096.db2.gz URMQUJLRDORKJU-FDYHWXHSSA-N 0 3 348.407 0.407 20 5 ECBDHN Cc1cnc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cn1 ZINC001072725011 788652413 /nfs/dbraw/zinc/65/24/13/788652413.db2.gz HKAGNSHZDHXVIC-ZIAGYGMSSA-N 0 3 331.376 0.485 20 5 ECBDHN Cc1nccn1CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389833 793076485 /nfs/dbraw/zinc/07/64/85/793076485.db2.gz RJNMQWFXLDJGQR-CHWSQXEVSA-N 0 3 337.380 0.164 20 5 ECBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CN1C(=O)CCC1=O ZINC001267465716 837469746 /nfs/dbraw/zinc/46/97/46/837469746.db2.gz FNIORUSEKAFQJW-UHFFFAOYSA-N 0 3 348.359 0.292 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000178712008 232399678 /nfs/dbraw/zinc/39/96/78/232399678.db2.gz ABURAVQTGAIATR-MRXNPFEDSA-N 0 3 347.375 0.823 20 5 ECBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCSC1 ZINC000180941612 234038311 /nfs/dbraw/zinc/03/83/11/234038311.db2.gz BVBWHYMFXQXCFB-SNVBAGLBSA-N 0 3 331.419 0.968 20 5 ECBDHN COCCOC[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557186 211328994 /nfs/dbraw/zinc/32/89/94/211328994.db2.gz BMUGWWFLPCNKSD-JSGCOSHPSA-N 0 3 340.380 0.500 20 5 ECBDHN CN(C)C(=O)[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411950536 208176519 /nfs/dbraw/zinc/17/65/19/208176519.db2.gz WRJLERQURDSRFL-OCCSQVGLSA-N 0 3 337.376 0.745 20 5 ECBDHN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428819223 210285409 /nfs/dbraw/zinc/28/54/09/210285409.db2.gz HCCLYWPIQOAGST-CQSZACIVSA-N 0 3 345.359 0.997 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000116451259 220964589 /nfs/dbraw/zinc/96/45/89/220964589.db2.gz HKGNVKKJXYYZNO-CYBMUJFWSA-N 0 3 339.396 0.309 20 5 ECBDHN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000247402213 165159975 /nfs/dbraw/zinc/15/99/75/165159975.db2.gz LVLFCSCZFIQJKJ-STQMWFEESA-N 0 3 345.359 0.683 20 5 ECBDHN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000262079524 165287689 /nfs/dbraw/zinc/28/76/89/165287689.db2.gz GZZPUYAEYXIKKO-VIFPVBQESA-N 0 3 349.796 0.823 20 5 ECBDHN [NH3+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000122680478 222136440 /nfs/dbraw/zinc/13/64/40/222136440.db2.gz XQWWLSMNHOUNEH-UHFFFAOYSA-N 0 3 338.183 0.984 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCNCc1cccnc1 ZINC000238142729 263175923 /nfs/dbraw/zinc/17/59/23/263175923.db2.gz IRVAGOOIKYBQRA-UHFFFAOYSA-N 0 3 345.359 0.448 20 5 ECBDHN CC(C)c1n[nH]c(C(=O)N2CCO[C@@H](CN(C)C)C2)c1[N+](=O)[O-] ZINC000269473119 263184353 /nfs/dbraw/zinc/18/43/53/263184353.db2.gz UWPGGHMXJWVCTG-JTQLQIEISA-N 0 3 325.369 0.844 20 5 ECBDHN CS[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1N(C)C ZINC000270547064 263250632 /nfs/dbraw/zinc/25/06/32/263250632.db2.gz YXAUKDKOSRDUTL-WDEREUQCSA-N 0 3 327.410 0.604 20 5 ECBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000277550529 263786265 /nfs/dbraw/zinc/78/62/65/263786265.db2.gz YRCBCCKJXFAKDQ-NWDGAFQWSA-N 0 3 334.376 0.924 20 5 ECBDHN C[C@@H]1CN(CC(C)(C)O)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000189451663 437598749 /nfs/dbraw/zinc/59/87/49/437598749.db2.gz PCYJVNJWUJCAAN-CYBMUJFWSA-N 0 3 338.408 0.534 20 5 ECBDHN COCCCN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CCN(C)CC1 ZINC000291510090 437600183 /nfs/dbraw/zinc/60/01/83/437600183.db2.gz WKJBACOETPPPCR-UHFFFAOYSA-N 0 3 339.396 0.751 20 5 ECBDHN C[C@H](N)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423903228 279391877 /nfs/dbraw/zinc/39/18/77/279391877.db2.gz QJMSBDILURBFGH-JTQLQIEISA-N 0 3 332.364 0.857 20 5 ECBDHN Cc1nn(CCC(=O)NCCNc2ccncc2)c(C)c1[N+](=O)[O-] ZINC000340731304 297531400 /nfs/dbraw/zinc/53/14/00/297531400.db2.gz ICJUBULJCGIPCT-UHFFFAOYSA-N 0 3 332.364 0.843 20 5 ECBDHN COC(=O)CC[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000342736915 297769695 /nfs/dbraw/zinc/76/96/95/297769695.db2.gz RBLGGNAFGOAMHP-LLVKDONJSA-N 0 3 325.321 0.500 20 5 ECBDHN CC(=O)N[C@@H](C)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000360298927 299968452 /nfs/dbraw/zinc/96/84/52/299968452.db2.gz HRLLVUKOVAFPDX-NHYWBVRUSA-N 0 3 339.396 0.389 20 5 ECBDHN CC(=O)N[C@H](C)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000360298925 299968569 /nfs/dbraw/zinc/96/85/69/299968569.db2.gz HRLLVUKOVAFPDX-ABAIWWIYSA-N 0 3 339.396 0.389 20 5 ECBDHN CC(=O)N[C@@H](C)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000360298928 299968580 /nfs/dbraw/zinc/96/85/80/299968580.db2.gz HRLLVUKOVAFPDX-XHDPSFHLSA-N 0 3 339.396 0.389 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000362995491 300240206 /nfs/dbraw/zinc/24/02/06/300240206.db2.gz XYXMEUSCBNLSGP-STQMWFEESA-N 0 3 337.380 0.469 20 5 ECBDHN O=C(NC[C@@H]1CNCCO1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000423994333 301468697 /nfs/dbraw/zinc/46/86/97/301468697.db2.gz SEDMYICSZCEUFG-ZDUSSCGKSA-N 0 3 334.376 0.913 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](Cn2ccnn2)C1 ZINC000090588796 436434280 /nfs/dbraw/zinc/43/42/80/436434280.db2.gz RZDVVVDLMNNLCS-CYBMUJFWSA-N 0 3 332.364 0.760 20 5 ECBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000519000591 301733126 /nfs/dbraw/zinc/73/31/26/301733126.db2.gz FUYLJFSWYTXGFO-SWHYSGLUSA-N 0 3 347.375 0.166 20 5 ECBDHN CCN1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000112918139 436634628 /nfs/dbraw/zinc/63/46/28/436634628.db2.gz GFADAFFNMAVOMC-UHFFFAOYSA-N 0 3 339.371 0.683 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000114676521 436643336 /nfs/dbraw/zinc/64/33/36/436643336.db2.gz GRUIEGLYFZWXBK-UHFFFAOYSA-N 0 3 339.371 0.636 20 5 ECBDHN CCCc1n[nH]c(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000552082764 302383941 /nfs/dbraw/zinc/38/39/41/302383941.db2.gz BHVHSIRWACTPMN-SECBINFHSA-N 0 3 340.384 0.067 20 5 ECBDHN CN1CCO[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000120987716 436704834 /nfs/dbraw/zinc/70/48/34/436704834.db2.gz CBFJAXFTPZKSCX-GJZGRUSLSA-N 0 3 334.376 0.938 20 5 ECBDHN CN(C)CCn1ccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)n1 ZINC000125603425 436772848 /nfs/dbraw/zinc/77/28/48/436772848.db2.gz QMJZDINOHDEQCC-UHFFFAOYSA-N 0 3 336.356 0.371 20 5 ECBDHN COCCN1CCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000069577130 436780999 /nfs/dbraw/zinc/78/09/99/436780999.db2.gz DRBZUEREZWYAQX-GFCCVEGCSA-N 0 3 339.396 0.753 20 5 ECBDHN CC(C(=O)NC(=O)NC1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000279951332 436851675 /nfs/dbraw/zinc/85/16/75/436851675.db2.gz NCZSEYMIGJXDJY-QMMMGPOBSA-N 0 3 341.345 0.745 20 5 ECBDHN CCN(CCO)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000274504327 436835120 /nfs/dbraw/zinc/83/51/20/436835120.db2.gz FOTDOYUCSMNBQG-UHFFFAOYSA-N 0 3 339.348 0.425 20 5 ECBDHN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CN(C)CCO1 ZINC000134968731 436908597 /nfs/dbraw/zinc/90/85/97/436908597.db2.gz CETBJFGVSUVUCX-RNCFNFMXSA-N 0 3 333.348 0.920 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000162632337 436911103 /nfs/dbraw/zinc/91/11/03/436911103.db2.gz DAEFKPBRVPVMDU-CYBMUJFWSA-N 0 3 336.396 0.030 20 5 ECBDHN CN(CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)Cc1ccccc1 ZINC000295836625 436980479 /nfs/dbraw/zinc/98/04/79/436980479.db2.gz WOMRGISKTLIGML-UHFFFAOYSA-N 0 3 330.344 0.987 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@]2(CO)CCc3ccccc32)c1 ZINC000136186725 436930362 /nfs/dbraw/zinc/93/03/62/436930362.db2.gz IVOFMJQJRTVFLH-ZBFHGGJFSA-N 0 3 332.360 0.576 20 5 ECBDHN CCc1n[nH]c(C(=O)NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281789190 436996913 /nfs/dbraw/zinc/99/69/13/436996913.db2.gz NWABOLUHVPSYQX-UHFFFAOYSA-N 0 3 338.412 0.636 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000316961300 437191712 /nfs/dbraw/zinc/19/17/12/437191712.db2.gz HPAURHXIWZUMSS-LBPRGKRZSA-N 0 3 328.394 0.167 20 5 ECBDHN COc1cc(CCNC(=O)[C@]2(F)CCNC2)c([N+](=O)[O-])cc1OC ZINC000178349154 437211659 /nfs/dbraw/zinc/21/16/59/437211659.db2.gz JQVMRXNCKZJGLH-HNNXBMFYSA-N 0 3 341.339 0.972 20 5 ECBDHN CN(C)CCN(Cc1ccccn1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000337251059 437344598 /nfs/dbraw/zinc/34/45/98/437344598.db2.gz NKBJRIHHOJKRRF-UHFFFAOYSA-N 0 3 333.352 0.172 20 5 ECBDHN CN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279304946 437393157 /nfs/dbraw/zinc/39/31/57/437393157.db2.gz ZXCJHDLQLXCLHS-UHFFFAOYSA-N 0 3 339.371 0.683 20 5 ECBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCN1CCC2 ZINC000343096565 437504435 /nfs/dbraw/zinc/50/44/35/437504435.db2.gz FOWNCDKPZHDLPH-OAHLLOKOSA-N 0 3 333.392 0.513 20 5 ECBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356458838 437767738 /nfs/dbraw/zinc/76/77/38/437767738.db2.gz PUKLYNVIEIOANC-GFCCVEGCSA-N 0 3 338.412 0.332 20 5 ECBDHN COC1CCN(C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000341302473 437828312 /nfs/dbraw/zinc/82/83/12/437828312.db2.gz AEINZWPVKKAZKJ-UHFFFAOYSA-N 0 3 339.396 0.797 20 5 ECBDHN CC(C)OCCN1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000357053759 437898904 /nfs/dbraw/zinc/89/89/04/437898904.db2.gz TVJSIKMQXZXKBT-UHFFFAOYSA-N 0 3 339.396 0.948 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000358062278 438137419 /nfs/dbraw/zinc/13/74/19/438137419.db2.gz HGNSVZQYOVOBMW-INIZCTEOSA-N 0 3 330.344 0.939 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000358070039 438141013 /nfs/dbraw/zinc/14/10/13/438141013.db2.gz UDXZJNAEPOXOCE-INIZCTEOSA-N 0 3 346.343 0.645 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](Oc3ccncc3)C2)c1 ZINC000431172286 438148659 /nfs/dbraw/zinc/14/86/59/438148659.db2.gz WOCORRRPDAMKRU-ZFWWWQNUSA-N 0 3 333.348 0.701 20 5 ECBDHN Cc1cnn(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000369825795 438521019 /nfs/dbraw/zinc/52/10/19/438521019.db2.gz KXKGMLNCWHLMEG-OAHLLOKOSA-N 0 3 334.380 0.994 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCN1CCCO ZINC000452348289 438652919 /nfs/dbraw/zinc/65/29/19/438652919.db2.gz KWYWWRODJPBQFK-CQSZACIVSA-N 0 3 337.376 0.937 20 5 ECBDHN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000447250290 438675912 /nfs/dbraw/zinc/67/59/12/438675912.db2.gz YZCQHQUBTMSWTQ-QMMMGPOBSA-N 0 3 331.350 0.239 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453948328 438703407 /nfs/dbraw/zinc/70/34/07/438703407.db2.gz ZLNDCJSPTJGZHT-GXFFZTMASA-N 0 3 348.359 0.704 20 5 ECBDHN O=C1CC[C@@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595728766 438851458 /nfs/dbraw/zinc/85/14/58/438851458.db2.gz OQKLYAAOEDLVAY-HZSPNIEDSA-N 0 3 349.387 0.935 20 5 ECBDHN COC(=O)c1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc([N+](=O)[O-])c1 ZINC000595948124 438897076 /nfs/dbraw/zinc/89/70/76/438897076.db2.gz OWNGLUOIELHTIY-VXGBXAGGSA-N 0 3 325.296 0.893 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1O ZINC000516513991 438910069 /nfs/dbraw/zinc/91/00/69/438910069.db2.gz BHYXIKBFZGSBIN-GJZGRUSLSA-N 0 3 345.359 0.527 20 5 ECBDHN CN1C[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590440745 438923977 /nfs/dbraw/zinc/92/39/77/438923977.db2.gz BJPPUDSHGNPIKW-OCCSQVGLSA-N 0 3 332.360 0.487 20 5 ECBDHN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC000596097209 438925828 /nfs/dbraw/zinc/92/58/28/438925828.db2.gz GEMVRIRUAZSBSN-UHFFFAOYSA-N 0 3 343.343 0.595 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000590553678 438930277 /nfs/dbraw/zinc/93/02/77/438930277.db2.gz ILIZCEMKIYOBOS-STQMWFEESA-N 0 3 327.768 0.924 20 5 ECBDHN CN(CCN(C)C1CC1)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596193088 438939257 /nfs/dbraw/zinc/93/92/57/438939257.db2.gz ABVGOKTYXBBEHJ-UHFFFAOYSA-N 0 3 328.394 0.773 20 5 ECBDHN Nc1ccc(NCC(=O)NCCN2CCCCCC2)nc1[N+](=O)[O-] ZINC000596240032 438947438 /nfs/dbraw/zinc/94/74/38/438947438.db2.gz PBPSWAYZLJRKJH-UHFFFAOYSA-N 0 3 336.396 0.976 20 5 ECBDHN COC(=O)[C@@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596271254 438949183 /nfs/dbraw/zinc/94/91/83/438949183.db2.gz YLPBFPNPPRTFJY-SNVBAGLBSA-N 0 3 336.348 0.235 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000596464285 438966744 /nfs/dbraw/zinc/96/67/44/438966744.db2.gz VWJCTRJJAHODMW-UHFFFAOYSA-N 0 3 334.380 0.927 20 5 ECBDHN CCNC(=O)C(C)(C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459584287 438977384 /nfs/dbraw/zinc/97/73/84/438977384.db2.gz IKOROHILGUGUGX-NSHDSACASA-N 0 3 325.365 0.839 20 5 ECBDHN O=C1CCN1c1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000579228299 438990453 /nfs/dbraw/zinc/99/04/53/438990453.db2.gz HLBXHWWULABPKE-HNNXBMFYSA-N 0 3 345.359 0.679 20 5 ECBDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000579589835 439022879 /nfs/dbraw/zinc/02/28/79/439022879.db2.gz RQXVMBHBOBKRPX-LALPHHSUSA-N 0 3 337.380 0.440 20 5 ECBDHN N[C@H]1C[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCN2C1=O ZINC000566573014 439074526 /nfs/dbraw/zinc/07/45/26/439074526.db2.gz UWYFDLYJUOVARJ-NEPJUHHUSA-N 0 3 344.327 0.725 20 5 ECBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@@H]1C ZINC000567690462 439166709 /nfs/dbraw/zinc/16/67/09/439166709.db2.gz BRGHSGXCNFSQPV-SGMGOOAPSA-N 0 3 339.396 0.531 20 5 ECBDHN COc1c(C(=O)NC[C@]2(O)CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000569235868 439315989 /nfs/dbraw/zinc/31/59/89/439315989.db2.gz RDSYMXHFKKIJOL-INIZCTEOSA-N 0 3 335.360 0.790 20 5 ECBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915738 439327420 /nfs/dbraw/zinc/32/74/20/439327420.db2.gz NSVKYCPYVRPCFW-CABZTGNLSA-N 0 3 336.348 0.763 20 5 ECBDHN COC(=O)COc1ccc(CN[C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000599003733 439340846 /nfs/dbraw/zinc/34/08/46/439340846.db2.gz NAHHBGZVDVIJID-XYPYZODXSA-N 0 3 337.332 0.500 20 5 ECBDHN COc1ccc(OCCN2C[C@H](O)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000570105177 439393712 /nfs/dbraw/zinc/39/37/12/439393712.db2.gz WTTMDJJWEJOHFQ-KBPBESRZSA-N 0 3 325.365 0.589 20 5 ECBDHN O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000583058892 439413759 /nfs/dbraw/zinc/41/37/59/439413759.db2.gz CRACIGKBSPDGLI-ZDUSSCGKSA-N 0 3 345.359 0.815 20 5 ECBDHN Cc1c(CNCC2(O)CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000583867573 439520667 /nfs/dbraw/zinc/52/06/67/439520667.db2.gz SFLNRNXTIHVWAN-UHFFFAOYSA-N 0 3 328.390 0.933 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CO)CN1CCCC1 ZINC000583871907 439522876 /nfs/dbraw/zinc/52/28/76/439522876.db2.gz HYNUOGPNGHUWIL-UONOGXRCSA-N 0 3 339.392 0.381 20 5 ECBDHN COC(=O)[C@@H]1C[C@@H](C)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000599688668 439535984 /nfs/dbraw/zinc/53/59/84/439535984.db2.gz LIKNIWLONFCOMD-OPDFLTKYSA-N 0 3 340.380 0.814 20 5 ECBDHN Cc1c(NC(=O)C(=O)NC2(CN)CCOCC2)cccc1[N+](=O)[O-] ZINC000599898238 439572665 /nfs/dbraw/zinc/57/26/65/439572665.db2.gz PUOAWEDHGHNXIK-UHFFFAOYSA-N 0 3 336.348 0.466 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599938028 439578926 /nfs/dbraw/zinc/57/89/26/439578926.db2.gz KOYNKXOLQKJXCX-STQMWFEESA-N 0 3 335.360 0.641 20 5 ECBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599938519 439580904 /nfs/dbraw/zinc/58/09/04/439580904.db2.gz CKHOHOSNAYVOLF-KGLIPLIRSA-N 0 3 337.351 0.944 20 5 ECBDHN Cc1n[nH]c(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000609664904 439582575 /nfs/dbraw/zinc/58/25/75/439582575.db2.gz MPJBIYJEQBRXSG-GFCCVEGCSA-N 0 3 336.396 0.478 20 5 ECBDHN Cc1[nH]nc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000609664904 439582580 /nfs/dbraw/zinc/58/25/80/439582580.db2.gz MPJBIYJEQBRXSG-GFCCVEGCSA-N 0 3 336.396 0.478 20 5 ECBDHN N[C@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)CCN2C1=O ZINC000594694864 439591483 /nfs/dbraw/zinc/59/14/83/439591483.db2.gz WQDMGBTWPDYMSK-GWCFXTLKSA-N 0 3 327.344 0.891 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cnc(C(F)(F)F)nc2)c1 ZINC000594718818 439595175 /nfs/dbraw/zinc/59/51/75/439595175.db2.gz VDXWGJRYGYXXAY-JTQLQIEISA-N 0 3 346.269 0.751 20 5 ECBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)N(C)C1 ZINC000572682260 439600976 /nfs/dbraw/zinc/60/09/76/439600976.db2.gz KGEJNYFHOSCEPG-OLZOCXBDSA-N 0 3 337.376 0.887 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572856913 439613302 /nfs/dbraw/zinc/61/33/02/439613302.db2.gz HTJDQUNAGSIXFO-RYUDHWBXSA-N 0 3 347.375 0.987 20 5 ECBDHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595122061 439656913 /nfs/dbraw/zinc/65/69/13/439656913.db2.gz PUAOODOIJAKNPZ-QMMMGPOBSA-N 0 3 331.350 0.252 20 5 ECBDHN CN1CCOC[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600757801 439701635 /nfs/dbraw/zinc/70/16/35/439701635.db2.gz SYGYJJYJYXLTID-ZDUSSCGKSA-N 0 3 343.405 0.289 20 5 ECBDHN CN(C)[C@@]1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCSC1 ZINC000290731137 320688559 /nfs/dbraw/zinc/68/85/59/320688559.db2.gz FXOJERRUUMSTNE-CYBMUJFWSA-N 0 3 325.394 0.938 20 5 ECBDHN CN(C)CC[C@@](C)(O)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000352108367 321349383 /nfs/dbraw/zinc/34/93/83/321349383.db2.gz XNCXBQOQSWYFKQ-OAHLLOKOSA-N 0 3 325.365 0.793 20 5 ECBDHN CN(C)[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000568349895 322624900 /nfs/dbraw/zinc/62/49/00/322624900.db2.gz LBCCHSTWKYMWLB-STQMWFEESA-N 0 3 333.348 0.752 20 5 ECBDHN N[C@H]1C[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000569943149 322670532 /nfs/dbraw/zinc/67/05/32/322670532.db2.gz VSUFOHGRTOQECM-KGLIPLIRSA-N 0 3 347.375 0.091 20 5 ECBDHN C[C@H](C[C@H](C)[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000578133823 322855979 /nfs/dbraw/zinc/85/59/79/322855979.db2.gz VJOXZSLNEGMMKU-VHSXEESVSA-N 0 3 344.393 0.115 20 5 ECBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000264899240 535705712 /nfs/dbraw/zinc/70/57/12/535705712.db2.gz LCAZYYNKXXMBQN-NSHDSACASA-N 0 3 338.412 0.630 20 5 ECBDHN O=C(CN[C@H](CO)C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771812779 579195739 /nfs/dbraw/zinc/19/57/39/579195739.db2.gz JQSULUYQUFVHTA-MRXNPFEDSA-N 0 3 348.403 0.604 20 5 ECBDHN Cc1cc(S(=O)(=O)NC[C@H]2CNCCO2)cc([N+](=O)[O-])c1F ZINC000842483358 589032141 /nfs/dbraw/zinc/03/21/41/589032141.db2.gz KDIDMRPUEGHMBV-SECBINFHSA-N 0 3 333.341 0.309 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000843114699 589051304 /nfs/dbraw/zinc/05/13/04/589051304.db2.gz FRNAUPHNBFLZMV-UXIGCNINSA-N 0 3 334.332 0.236 20 5 ECBDHN COC[C@H]1CNCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000903877845 586822509 /nfs/dbraw/zinc/82/25/09/586822509.db2.gz YDPRICQXGSVRCO-CQSZACIVSA-N 0 3 334.376 0.404 20 5 ECBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1 ZINC000806630876 587101923 /nfs/dbraw/zinc/10/19/23/587101923.db2.gz IOCWWEMKDZMXNZ-LBPRGKRZSA-N 0 3 333.348 0.383 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000808174710 587147568 /nfs/dbraw/zinc/14/75/68/587147568.db2.gz OHKKAOZOUGAMIB-QMTHXVAHSA-N 0 3 336.348 0.127 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000844037814 589090742 /nfs/dbraw/zinc/09/07/42/589090742.db2.gz VHHWKHYHPQMOEW-SNVBAGLBSA-N 0 3 338.339 0.926 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000844042907 589091050 /nfs/dbraw/zinc/09/10/50/589091050.db2.gz XGIQDTPELJKDER-JTQLQIEISA-N 0 3 335.364 0.369 20 5 ECBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[N+](=O)[O-] ZINC000813101581 587247931 /nfs/dbraw/zinc/24/79/31/587247931.db2.gz DPJFLGUXQJBKHV-SECBINFHSA-N 0 3 332.334 0.886 20 5 ECBDHN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C2=O)cc1 ZINC000813114969 587248822 /nfs/dbraw/zinc/24/88/22/587248822.db2.gz YUSLSVAHZGFEFG-ZBEGNZNMSA-N 0 3 349.343 0.970 20 5 ECBDHN Cn1nccc1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819232849 587473588 /nfs/dbraw/zinc/47/35/88/587473588.db2.gz IUMWVGUBIARNJQ-UHFFFAOYSA-N 0 3 338.389 0.934 20 5 ECBDHN CC(C)NS(=O)(=O)NCCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819264390 587474909 /nfs/dbraw/zinc/47/49/09/587474909.db2.gz SPLYPAPKJUFWBI-ZDUSSCGKSA-N 0 3 346.409 0.050 20 5 ECBDHN CN(CC(=O)N[C@H](CO)CN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000819837813 587493014 /nfs/dbraw/zinc/49/30/14/587493014.db2.gz SGQKWISAMRVGDV-ZDUSSCGKSA-N 0 3 336.392 0.604 20 5 ECBDHN COc1cc(CN2C(C)C(=O)N(C)S2(=O)=O)ccc1[N+](=O)[O-] ZINC000829561289 588329827 /nfs/dbraw/zinc/32/98/27/588329827.db2.gz RZOGSAHMWFPWTG-MRVPVSSYSA-N 0 3 329.334 0.511 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000863329257 590005352 /nfs/dbraw/zinc/00/53/52/590005352.db2.gz NDXHTYBGJZVHCK-ZETCQYMHSA-N 0 3 345.308 0.324 20 5 ECBDHN CC(COC(=O)c1cc(I)nn1C)[N+](=O)[O-] ZINC000870377354 590014672 /nfs/dbraw/zinc/01/46/72/590014672.db2.gz QEPROZHUAYTWPE-YFKPBYRVSA-N 0 3 339.089 0.847 20 5 ECBDHN O=C(CN1CCCC1)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885985839 590784567 /nfs/dbraw/zinc/78/45/67/590784567.db2.gz SDKXDYBRNYVJJV-UHFFFAOYSA-N 0 3 333.392 0.730 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000932714445 611658589 /nfs/dbraw/zinc/65/85/89/611658589.db2.gz IEAJRWIEOSHJMM-LBPRGKRZSA-N 0 3 338.412 0.099 20 5 ECBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCN1CC[NH2+]CC1 ZINC000237768406 609900718 /nfs/dbraw/zinc/90/07/18/609900718.db2.gz UDCLCEIKXARCPP-UHFFFAOYSA-N 0 3 348.812 0.432 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2CNCCO2)c1 ZINC000842483677 611313619 /nfs/dbraw/zinc/31/36/19/611313619.db2.gz PZXDAROLJRQXDX-SECBINFHSA-N 0 3 349.796 0.823 20 5 ECBDHN Cc1cc(C(=O)N2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n[nH]1 ZINC000953926656 612453668 /nfs/dbraw/zinc/45/36/68/612453668.db2.gz AKRRNEJOYJWGBR-DGCLKSJQSA-N 0 3 335.364 0.446 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000984586271 746679120 /nfs/dbraw/zinc/67/91/20/746679120.db2.gz UOQQXSUWWBHATA-SIHWPTBPSA-N 0 3 349.391 0.205 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)C(C)(F)F)C1 ZINC000982986873 754365231 /nfs/dbraw/zinc/36/52/31/754365231.db2.gz AHGIJEIHJMVWFX-KYZUINATSA-N 0 3 331.323 0.968 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)Cn2cccn2)C1 ZINC000983163255 754752160 /nfs/dbraw/zinc/75/21/60/754752160.db2.gz LAUGQGOEWHUDMS-HAQNSBGRSA-N 0 3 347.379 0.209 20 5 ECBDHN Cc1nnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1C1CC1 ZINC001022064060 758228154 /nfs/dbraw/zinc/22/81/54/758228154.db2.gz SYUAZFATPRXXIB-LYIQGSDWSA-N 0 3 334.380 0.323 20 5 ECBDHN O=C(NC1CN(C(=O)c2nc[nH]c2C(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991286546 760130953 /nfs/dbraw/zinc/13/09/53/760130953.db2.gz CBWDDKMXDBSJHN-RNFRBKRXSA-N 0 3 347.253 0.034 20 5 ECBDHN CN(C)c1cnc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001127279373 767542939 /nfs/dbraw/zinc/54/29/39/767542939.db2.gz OLVVNYMLRRYNPI-UHFFFAOYSA-N 0 3 344.375 0.970 20 5 ECBDHN O=C(CN1CN=NC1=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020087572 772142640 /nfs/dbraw/zinc/14/26/40/772142640.db2.gz HVUPGZSXJNOUHT-HAQNSBGRSA-N 0 3 346.347 0.329 20 5 ECBDHN CC(C)(C)n1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001020140076 772208023 /nfs/dbraw/zinc/20/80/23/772208023.db2.gz XCCIOAIUMMHUAK-FPQZTECRSA-N 0 3 336.396 0.435 20 5 ECBDHN NC[C@@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000420055420 209292167 /nfs/dbraw/zinc/29/21/67/209292167.db2.gz GQWLPJVYCJIPCL-CQSZACIVSA-N 0 3 346.387 0.939 20 5 ECBDHN COCCN1CC[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000266320196 248245870 /nfs/dbraw/zinc/24/58/70/248245870.db2.gz HYTLEESAIPHQPY-ZDUSSCGKSA-N 0 3 336.392 0.868 20 5 ECBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000155339949 296701190 /nfs/dbraw/zinc/70/11/90/296701190.db2.gz ZTABIHRYPJXRDI-CYBMUJFWSA-N 0 3 332.364 0.475 20 5 ECBDHN CNC(=O)[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247585696 165165329 /nfs/dbraw/zinc/16/53/29/165165329.db2.gz MGOXWVQYJYEIPI-TZMCWYRMSA-N 0 3 337.376 0.793 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-]CC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261999226 165274379 /nfs/dbraw/zinc/27/43/79/165274379.db2.gz UWAIWYIDCIEHQI-SNVBAGLBSA-N 0 3 329.378 0.881 20 5 ECBDHN CN1CC[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000283474373 264120699 /nfs/dbraw/zinc/12/06/99/264120699.db2.gz YNCVDYDFFPSXKX-JTQLQIEISA-N 0 3 341.389 0.680 20 5 ECBDHN CN1CC[C@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285105580 264279043 /nfs/dbraw/zinc/27/90/43/264279043.db2.gz UKTUWUSOQWGHBI-LSDHHAIUSA-N 0 3 334.376 0.938 20 5 ECBDHN C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN(C2CC2)C1 ZINC000297423338 265147788 /nfs/dbraw/zinc/14/77/88/265147788.db2.gz SYZCAINMZFYUCV-LBPRGKRZSA-N 0 3 336.396 0.917 20 5 ECBDHN CCN1CCN(CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102488095 279358071 /nfs/dbraw/zinc/35/80/71/279358071.db2.gz DJXNVZTVWXWCIY-UHFFFAOYSA-N 0 3 338.412 0.280 20 5 ECBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[C@@H]1N1CCN(C)CC1 ZINC000354377491 437601574 /nfs/dbraw/zinc/60/15/74/437601574.db2.gz CBSMPKAHMWZHKY-YPMHNXCESA-N 0 3 336.396 0.416 20 5 ECBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)CN(C)C ZINC000346219037 298239746 /nfs/dbraw/zinc/23/97/46/298239746.db2.gz JMYAISCVLSFSNF-ONGXEEELSA-N 0 3 326.401 0.894 20 5 ECBDHN C[C@H]1C[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000353378387 299043903 /nfs/dbraw/zinc/04/39/03/299043903.db2.gz GXLSUCRZOJGAFM-AAEUAGOBSA-N 0 3 334.376 0.924 20 5 ECBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN([C@@H]4COC[C@H]4O)CC3)nc2c1 ZINC000361333419 300083859 /nfs/dbraw/zinc/08/38/59/300083859.db2.gz AEAREVXTEHRDSZ-HUUCEWRRSA-N 0 3 347.375 0.743 20 5 ECBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000363681916 300285739 /nfs/dbraw/zinc/28/57/39/300285739.db2.gz GTUSOWDVWYPSDU-ZIAGYGMSSA-N 0 3 348.359 0.513 20 5 ECBDHN N[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1c1ccc(F)cc1 ZINC000364204243 300335332 /nfs/dbraw/zinc/33/53/32/300335332.db2.gz YZPFOBHCXFABQQ-CHWSQXEVSA-N 0 3 333.323 0.884 20 5 ECBDHN NC(=O)c1ccc(CN[C@H]2CCC(=O)N[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000375356089 301169555 /nfs/dbraw/zinc/16/95/55/301169555.db2.gz QDZBLSKKBMHMLQ-WFASDCNBSA-N 0 3 332.360 0.841 20 5 ECBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000375405724 301172207 /nfs/dbraw/zinc/17/22/07/301172207.db2.gz SFTXZDGWLXOGRP-NSHDSACASA-N 0 3 335.364 0.555 20 5 ECBDHN C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000378369027 301433383 /nfs/dbraw/zinc/43/33/83/301433383.db2.gz INUUYMLUEXWXKS-NSHDSACASA-N 0 3 336.396 0.558 20 5 ECBDHN CCOC(=O)C1(C)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000092836974 436476909 /nfs/dbraw/zinc/47/69/09/436476909.db2.gz CACUMNJFTLAGFO-CYBMUJFWSA-N 0 3 340.380 0.817 20 5 ECBDHN O=C1[C@@H](N[C@H]2CCc3ncnn3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109132794 436623297 /nfs/dbraw/zinc/62/32/97/436623297.db2.gz DBOIBAUZPYHDIL-FZMZJTMJSA-N 0 3 342.359 0.896 20 5 ECBDHN CN(C)C(=O)C(C)(C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000114458445 436642140 /nfs/dbraw/zinc/64/21/40/436642140.db2.gz LWAJOENZLYQJJN-GFCCVEGCSA-N 0 3 325.365 0.791 20 5 ECBDHN CN(CCC(=O)OC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000150880390 436692434 /nfs/dbraw/zinc/69/24/34/436692434.db2.gz JWYUEWWJSSYZHC-LBPRGKRZSA-N 0 3 328.369 0.816 20 5 ECBDHN COCCN1CCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151057588 436695252 /nfs/dbraw/zinc/69/52/52/436695252.db2.gz XERXMVZOOHASRS-GFCCVEGCSA-N 0 3 340.384 0.201 20 5 ECBDHN C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000272451311 436714078 /nfs/dbraw/zinc/71/40/78/436714078.db2.gz NMWNQVQSNCIIMS-GFCCVEGCSA-N 0 3 335.408 0.790 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)c1C ZINC000237779312 436744775 /nfs/dbraw/zinc/74/47/75/436744775.db2.gz QESTVJYXIYDBOS-UHFFFAOYSA-N 0 3 342.421 0.395 20 5 ECBDHN CC(C)OCCN1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000128431331 436816141 /nfs/dbraw/zinc/81/61/41/436816141.db2.gz WKLNKABSYPBOOA-UHFFFAOYSA-N 0 3 325.369 0.937 20 5 ECBDHN CC(C)(C)CNC(=O)C(C)(C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000155503144 436795680 /nfs/dbraw/zinc/79/56/80/436795680.db2.gz ZIVJLMVHRSACMC-LBPRGKRZSA-N 0 3 341.412 0.683 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)C[C@H]1CO ZINC000274060520 436796278 /nfs/dbraw/zinc/79/62/78/436796278.db2.gz ABKVLCRCMTXFQJ-NWDGAFQWSA-N 0 3 339.348 0.360 20 5 ECBDHN C[C@@H]1CC[C@H](C(N)=O)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248438520 436802759 /nfs/dbraw/zinc/80/27/59/436802759.db2.gz BYCGSGGSJHLJCP-FRRDWIJNSA-N 0 3 337.376 0.920 20 5 ECBDHN CC(C(=O)NC(=O)NC1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000279951329 436851664 /nfs/dbraw/zinc/85/16/64/436851664.db2.gz NCZSEYMIGJXDJY-MRVPVSSYSA-N 0 3 341.345 0.745 20 5 ECBDHN O=[N+]([O-])c1cnc2ccc(N3CCN(C4CCOCC4)CC3)nn21 ZINC000160307687 436871683 /nfs/dbraw/zinc/87/16/83/436871683.db2.gz ZDNSHSVVLDAZOV-UHFFFAOYSA-N 0 3 332.364 0.939 20 5 ECBDHN N[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCOCC1 ZINC000261947410 436898905 /nfs/dbraw/zinc/89/89/05/436898905.db2.gz JVPCCQYAMUDOQW-MRXNPFEDSA-N 0 3 348.403 0.997 20 5 ECBDHN CC(C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)S(C)(=O)=O ZINC000276352075 437091342 /nfs/dbraw/zinc/09/13/42/437091342.db2.gz NWNROFPMJOSULA-VIFPVBQESA-N 0 3 328.346 0.618 20 5 ECBDHN CN1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)C1 ZINC000301300892 437117671 /nfs/dbraw/zinc/11/76/71/437117671.db2.gz RDOJWEAGLCIOBT-GFCCVEGCSA-N 0 3 348.407 0.305 20 5 ECBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C[NH+]1CCN(C)CC1 ZINC000176013471 437127717 /nfs/dbraw/zinc/12/77/17/437127717.db2.gz BGYFOZUVRHYOAL-NSHDSACASA-N 0 3 337.380 0.309 20 5 ECBDHN COc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000324725747 437228483 /nfs/dbraw/zinc/22/84/83/437228483.db2.gz GNAUXZIBQURUAG-CYBMUJFWSA-N 0 3 336.348 0.959 20 5 ECBDHN CCn1cc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])n1 ZINC000330450182 437515413 /nfs/dbraw/zinc/51/54/13/437515413.db2.gz IPPODPLHMAHRJG-NSHDSACASA-N 0 3 345.425 0.774 20 5 ECBDHN CCN1CCN(C[C@@H](C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000193578513 437712341 /nfs/dbraw/zinc/71/23/41/437712341.db2.gz DWYJSGILJAEOMX-ZDUSSCGKSA-N 0 3 338.412 0.181 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3cnccn3)CC2)c1 ZINC000370453725 437787694 /nfs/dbraw/zinc/78/76/94/437787694.db2.gz VTKWMLURELPDPN-CQSZACIVSA-N 0 3 332.364 0.822 20 5 ECBDHN O=C(NC[C@@H]1CNCCO1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000423990026 437869837 /nfs/dbraw/zinc/86/98/37/437869837.db2.gz JHVVNVAXDYYFJN-NSHDSACASA-N 0 3 331.332 0.499 20 5 ECBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000356877303 437852519 /nfs/dbraw/zinc/85/25/19/437852519.db2.gz PPMBPRZAFLMSLG-UHFFFAOYSA-N 0 3 338.412 0.474 20 5 ECBDHN COc1c(F)cc(S(=O)(=O)NC[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000416498917 437945873 /nfs/dbraw/zinc/94/58/73/437945873.db2.gz ZDPPOOMOVSESMT-SECBINFHSA-N 0 3 347.368 0.973 20 5 ECBDHN CC(C)(O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000372552789 438097806 /nfs/dbraw/zinc/09/78/06/438097806.db2.gz KXQGGEHPFJSAPF-UHFFFAOYSA-N 0 3 337.380 0.491 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)NC1CCN(C2CC2)CC1 ZINC000349222598 438142353 /nfs/dbraw/zinc/14/23/53/438142353.db2.gz ZQCZBCNAKZQDAY-UHFFFAOYSA-N 0 3 334.376 0.808 20 5 ECBDHN O=C(NC[C@H]1CNCCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418757695 438183147 /nfs/dbraw/zinc/18/31/47/438183147.db2.gz DSXYUBOTWVVTEI-OAHLLOKOSA-N 0 3 349.391 0.415 20 5 ECBDHN O=C(NC[C@@H]1CNCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418755944 438183248 /nfs/dbraw/zinc/18/32/48/438183248.db2.gz CEJZCJQAEUKWJS-ZDUSSCGKSA-N 0 3 349.391 0.415 20 5 ECBDHN COc1ccc(CNC(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358726662 438290737 /nfs/dbraw/zinc/29/07/37/438290737.db2.gz VAZNHJDCSGBXBM-HNNXBMFYSA-N 0 3 338.364 0.469 20 5 ECBDHN O=C1NC[C@@H]2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]12 ZINC000377666988 438321798 /nfs/dbraw/zinc/32/17/98/438321798.db2.gz CREKLPJKWHBMRY-ZLDLUXBVSA-N 0 3 335.360 0.402 20 5 ECBDHN COC(=O)[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000378006353 438337235 /nfs/dbraw/zinc/33/72/35/438337235.db2.gz VCRGHOQIBUBDCQ-NEPJUHHUSA-N 0 3 326.353 0.283 20 5 ECBDHN CN1CCC[C@@H](N2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)C1 ZINC000378361908 438381410 /nfs/dbraw/zinc/38/14/10/438381410.db2.gz UFAJBSOUAXKTGP-CYBMUJFWSA-N 0 3 345.407 0.854 20 5 ECBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000392707865 438442911 /nfs/dbraw/zinc/44/29/11/438442911.db2.gz YABAHQMGGOIYNC-UHFFFAOYSA-N 0 3 330.348 0.990 20 5 ECBDHN CN1CCN(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1(C)C ZINC000442965921 438634506 /nfs/dbraw/zinc/63/45/06/438634506.db2.gz NLORSEUOVOHNMD-UHFFFAOYSA-N 0 3 336.396 0.328 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860719 438843497 /nfs/dbraw/zinc/84/34/97/438843497.db2.gz KYNFPTJCFKOKQD-QWHCGFSZSA-N 0 3 334.376 0.674 20 5 ECBDHN NC(=O)c1ccnc(NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000589583214 438877804 /nfs/dbraw/zinc/87/78/04/438877804.db2.gz SUDGVOZPWPHEOY-NSHDSACASA-N 0 3 335.364 0.754 20 5 ECBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCC4(CNC4)O3)CC2)cn1 ZINC000595892548 438879961 /nfs/dbraw/zinc/87/99/61/438879961.db2.gz RVIPFIFDFLIKFA-CQSZACIVSA-N 0 3 333.392 0.633 20 5 ECBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cn[n-]c1[C@H]1CC[NH2+]C1 ZINC000595927064 438886437 /nfs/dbraw/zinc/88/64/37/438886437.db2.gz UZCPAQFBUAQACF-QMMMGPOBSA-N 0 3 341.331 1.523 20 5 ECBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cn[n-]c1[C@@H]1CC[NH2+]C1 ZINC000595927063 438886551 /nfs/dbraw/zinc/88/65/51/438886551.db2.gz UZCPAQFBUAQACF-MRVPVSSYSA-N 0 3 341.331 1.523 20 5 ECBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000590447263 438925638 /nfs/dbraw/zinc/92/56/38/438925638.db2.gz WZTCRVGMQRHMHX-WFASDCNBSA-N 0 3 342.359 0.952 20 5 ECBDHN CN1CCN(CC2CN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000590561618 438932663 /nfs/dbraw/zinc/93/26/63/438932663.db2.gz CHDDKNQDSLRFHH-UHFFFAOYSA-N 0 3 333.392 0.496 20 5 ECBDHN NC(=O)c1cc(N2CCN(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596149170 438933141 /nfs/dbraw/zinc/93/31/41/438933141.db2.gz QUFHPAVZJHHBSA-UHFFFAOYSA-N 0 3 334.376 0.995 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596167658 438934334 /nfs/dbraw/zinc/93/43/34/438934334.db2.gz GTSUWLUKJDUALW-LBPRGKRZSA-N 0 3 334.380 0.315 20 5 ECBDHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000579142461 438986559 /nfs/dbraw/zinc/98/65/59/438986559.db2.gz PDUJZGFGRXEDBT-GMXVVIOVSA-N 0 3 347.375 0.609 20 5 ECBDHN Cn1ncc2ccc(CNC[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000566064330 439000392 /nfs/dbraw/zinc/00/03/92/439000392.db2.gz OMMMUMYXGFCLQC-AWEZNQCLSA-N 0 3 330.348 0.829 20 5 ECBDHN CCN[C@@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602453547 439089067 /nfs/dbraw/zinc/08/90/67/439089067.db2.gz HXOPQWFNROQITD-LBPRGKRZSA-N 0 3 334.376 0.877 20 5 ECBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567521145 439149608 /nfs/dbraw/zinc/14/96/08/439149608.db2.gz RJWAWHQWKCIYIP-ZYHUDNBSSA-N 0 3 348.359 0.438 20 5 ECBDHN Cc1c(NC(=O)CCN2CCN(C)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000602903142 439155268 /nfs/dbraw/zinc/15/52/68/439155268.db2.gz BUEMHYBCRJUMKW-ZDUSSCGKSA-N 0 3 336.392 0.840 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCCOc2ccc(Cl)cn2)c1 ZINC000569332361 439323701 /nfs/dbraw/zinc/32/37/01/439323701.db2.gz NIDPBKXHWZMCRC-GFCCVEGCSA-N 0 3 341.755 0.869 20 5 ECBDHN CN(C)C1(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598903526 439325458 /nfs/dbraw/zinc/32/54/58/439325458.db2.gz PGTWTDXRDPPJPT-UHFFFAOYSA-N 0 3 335.364 0.927 20 5 ECBDHN CN(C)CCN1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000593053337 439335844 /nfs/dbraw/zinc/33/58/44/439335844.db2.gz ZFWUPZBMMNYOFG-UHFFFAOYSA-N 0 3 349.391 0.239 20 5 ECBDHN CN1CC[C@@]2(CCN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C2)C1 ZINC000598628090 439290614 /nfs/dbraw/zinc/29/06/14/439290614.db2.gz ZBHOVQLGAPABJH-MRXNPFEDSA-N 0 3 348.407 0.753 20 5 ECBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000604266167 439305061 /nfs/dbraw/zinc/30/50/61/439305061.db2.gz VORDCWACRNXQNX-ZDUSSCGKSA-N 0 3 337.424 0.937 20 5 ECBDHN CN1CCN(CC2CN(c3nc4sccn4c3[N+](=O)[O-])C2)CC1 ZINC000599109310 439360793 /nfs/dbraw/zinc/36/07/93/439360793.db2.gz SRSKWCZOQNRYOL-UHFFFAOYSA-N 0 3 336.421 0.988 20 5 ECBDHN COc1ccc(CC(=O)NC[C@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000569699170 439354555 /nfs/dbraw/zinc/35/45/55/439354555.db2.gz OFAUPOKGKBPXEZ-MRXNPFEDSA-N 0 3 339.392 0.965 20 5 ECBDHN CN(C)CCN(Cc1ccccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569863752 439370408 /nfs/dbraw/zinc/37/04/08/439370408.db2.gz QCDUZANALBFDAW-INIZCTEOSA-N 0 3 348.407 0.611 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](CO)Cc2ccncc2)c1 ZINC000582785397 439380658 /nfs/dbraw/zinc/38/06/58/439380658.db2.gz DXQKMQGHRXRFIS-HOCLYGCPSA-N 0 3 347.371 0.923 20 5 ECBDHN CN(CCCN1CCCC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599298134 439422947 /nfs/dbraw/zinc/42/29/47/439422947.db2.gz SMOYUSZNXWUGDS-UHFFFAOYSA-N 0 3 331.398 0.435 20 5 ECBDHN Cc1c(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000583511823 439474605 /nfs/dbraw/zinc/47/46/05/439474605.db2.gz ZFGYGCAHMWSSFC-STQMWFEESA-N 0 3 347.375 0.357 20 5 ECBDHN CN(C)[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000583731446 439503760 /nfs/dbraw/zinc/50/37/60/439503760.db2.gz VWVUFGWJKXPXLB-STQMWFEESA-N 0 3 333.348 0.752 20 5 ECBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594394307 439554517 /nfs/dbraw/zinc/55/45/17/439554517.db2.gz WUOLZDJXAONOTA-UONOGXRCSA-N 0 3 344.371 0.896 20 5 ECBDHN COc1cc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939531 439580191 /nfs/dbraw/zinc/58/01/91/439580191.db2.gz WKMPWQQLCZLDAN-STQMWFEESA-N 0 3 335.360 0.885 20 5 ECBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599938520 439581310 /nfs/dbraw/zinc/58/13/10/439581310.db2.gz CKHOHOSNAYVOLF-UONOGXRCSA-N 0 3 337.351 0.944 20 5 ECBDHN CN(C)C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc2O1 ZINC000610761993 439644993 /nfs/dbraw/zinc/64/49/93/439644993.db2.gz RZBCIJFJWHSIMW-LLVKDONJSA-N 0 3 346.347 0.542 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000584838181 439621372 /nfs/dbraw/zinc/62/13/72/439621372.db2.gz XVGHPCIQGVIGOV-UHFFFAOYSA-N 0 3 347.335 0.383 20 5 ECBDHN Cc1noc(CN2CCC(C(=O)NCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000595365585 439714298 /nfs/dbraw/zinc/71/42/98/439714298.db2.gz OHDISMRJMUIFQY-UHFFFAOYSA-N 0 3 339.396 0.781 20 5 ECBDHN Cc1c(CNC(=O)C(=O)N2CC3CC2(CN)C3)cccc1[N+](=O)[O-] ZINC000595282486 439689711 /nfs/dbraw/zinc/68/97/11/439689711.db2.gz ORTNILUUUYKKPG-UHFFFAOYSA-N 0 3 332.360 0.469 20 5 ECBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531888449 322047441 /nfs/dbraw/zinc/04/74/41/322047441.db2.gz QDZGQXGLQQAHGT-ZDUSSCGKSA-N 0 3 335.408 0.993 20 5 ECBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000531986311 322049733 /nfs/dbraw/zinc/04/97/33/322049733.db2.gz XTYBQPGZFCCDQI-ZDUSSCGKSA-N 0 3 349.391 0.312 20 5 ECBDHN O=C1C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1c1ccccc1 ZINC000562987467 322291464 /nfs/dbraw/zinc/29/14/64/322291464.db2.gz RKCSMWZCTXSBQU-WFASDCNBSA-N 0 3 345.359 0.547 20 5 ECBDHN Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c([N+](=O)[O-])c1 ZINC000563211017 322304676 /nfs/dbraw/zinc/30/46/76/322304676.db2.gz JIDIOGNTRXVEFD-LLVKDONJSA-N 0 3 328.394 0.167 20 5 ECBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)NCCN1CCCCC1 ZINC000563984037 322357673 /nfs/dbraw/zinc/35/76/73/322357673.db2.gz AXPKJRZPJBKBTD-GFCCVEGCSA-N 0 3 349.391 0.710 20 5 ECBDHN C[C@@H](CS(C)(=O)=O)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566118232 322503474 /nfs/dbraw/zinc/50/34/74/322503474.db2.gz YKKRVXYKYIYKJB-QWRGUYRKSA-N 0 3 332.378 0.357 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000571300022 322716948 /nfs/dbraw/zinc/71/69/48/322716948.db2.gz UWRPWUAOGHZOIR-QWHCGFSZSA-N 0 3 333.348 0.048 20 5 ECBDHN C[N@H+](CCO)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736802728 578453467 /nfs/dbraw/zinc/45/34/67/578453467.db2.gz WKKJHAIYASIYCA-UHFFFAOYSA-N 0 3 348.367 0.063 20 5 ECBDHN C[N@@H+](CCO)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736802728 578453468 /nfs/dbraw/zinc/45/34/68/578453468.db2.gz WKKJHAIYASIYCA-UHFFFAOYSA-N 0 3 348.367 0.063 20 5 ECBDHN C[N@H+](CCO)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736802728 578453469 /nfs/dbraw/zinc/45/34/69/578453469.db2.gz WKKJHAIYASIYCA-UHFFFAOYSA-N 0 3 348.367 0.063 20 5 ECBDHN C[N@@H+](CCO)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736802728 578453470 /nfs/dbraw/zinc/45/34/70/578453470.db2.gz WKKJHAIYASIYCA-UHFFFAOYSA-N 0 3 348.367 0.063 20 5 ECBDHN COCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737006837 578472834 /nfs/dbraw/zinc/47/28/34/578472834.db2.gz JWEHFKHCIZGUHC-SECBINFHSA-N 0 3 334.340 0.303 20 5 ECBDHN COCC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737006837 578472835 /nfs/dbraw/zinc/47/28/35/578472835.db2.gz JWEHFKHCIZGUHC-SECBINFHSA-N 0 3 334.340 0.303 20 5 ECBDHN CCCN(C)CC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000770796410 579177446 /nfs/dbraw/zinc/17/74/46/579177446.db2.gz LNCQPEHPOUVITJ-UKRRQHHQSA-N 0 3 325.365 0.447 20 5 ECBDHN C[C@H]1CN(c2ccncc2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000895274000 586173142 /nfs/dbraw/zinc/17/31/42/586173142.db2.gz FEQFEFDYRGHNKL-LBPRGKRZSA-N 0 3 330.348 0.924 20 5 ECBDHN CN1CC[C@@H]2CN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@@H]21 ZINC000840131803 587151211 /nfs/dbraw/zinc/15/12/11/587151211.db2.gz DBMSSQPPWBXPKJ-MFKMUULPSA-N 0 3 330.344 0.784 20 5 ECBDHN CC(COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)[N+](=O)[O-] ZINC000813105349 587248051 /nfs/dbraw/zinc/24/80/51/587248051.db2.gz XSMNAZBKEPUTRS-WDCWCFNPSA-N 0 3 331.394 0.921 20 5 ECBDHN CS(=O)(=O)N1CCC[C@@H]1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819188854 587471893 /nfs/dbraw/zinc/47/18/93/587471893.db2.gz AVBSFOURDWPFMD-ZIAGYGMSSA-N 0 3 343.405 0.642 20 5 ECBDHN O=C(N[C@@H](CO)CN1CCCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000840452505 587581764 /nfs/dbraw/zinc/58/17/64/587581764.db2.gz ICBGXZUCEMFARK-UKRRQHHQSA-N 0 3 337.376 0.591 20 5 ECBDHN CNc1nccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000847406510 589245987 /nfs/dbraw/zinc/24/59/87/589245987.db2.gz CQSIKZBCGPCLMZ-QWRGUYRKSA-N 0 3 335.364 0.625 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000849329211 589325863 /nfs/dbraw/zinc/32/58/63/589325863.db2.gz CXPNXVQBNRKSHQ-TUAOUCFPSA-N 0 3 332.307 0.556 20 5 ECBDHN O=C([N-]CCN1CC[NH2+]CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762854 589703803 /nfs/dbraw/zinc/70/38/03/589703803.db2.gz GJRSJVBEEYRULE-UHFFFAOYSA-N 0 3 344.318 0.588 20 5 ECBDHN CN1CC[C@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000867811223 589847362 /nfs/dbraw/zinc/84/73/62/589847362.db2.gz AWUNUWBYCYMTFB-WDEREUQCSA-N 0 3 326.378 0.705 20 5 ECBDHN CON(C)C(=O)[C@@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000863587610 590026010 /nfs/dbraw/zinc/02/60/10/590026010.db2.gz ZOPPURIHHCLPFK-ZYHUDNBSSA-N 0 3 327.337 0.332 20 5 ECBDHN Cc1c(CNC[C@]23COCCN2C(=O)COC3)cccc1[N+](=O)[O-] ZINC000873150180 590185191 /nfs/dbraw/zinc/18/51/91/590185191.db2.gz ZAEAKMHCGXPMNK-MRXNPFEDSA-N 0 3 335.360 0.621 20 5 ECBDHN CCN(CC)CC(=O)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885985532 590784930 /nfs/dbraw/zinc/78/49/30/590784930.db2.gz KILNTUCLHYDQGB-UHFFFAOYSA-N 0 3 335.408 0.976 20 5 ECBDHN C[C@@H]1COC[C@H]1NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000932494369 611634426 /nfs/dbraw/zinc/63/44/26/611634426.db2.gz POSLCIKUJZIFSZ-CZUORRHYSA-N 0 3 348.403 0.868 20 5 ECBDHN Cc1nccn1CC(=O)N(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953952468 612486666 /nfs/dbraw/zinc/48/66/66/612486666.db2.gz RJVKMOONLMVXFL-ZIAGYGMSSA-N 0 3 349.391 0.306 20 5 ECBDHN CN(C)c1ccncc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973253006 738977724 /nfs/dbraw/zinc/97/77/24/738977724.db2.gz QCZWXWKHHREPPZ-ZHSDAYTOSA-N 0 3 347.375 0.190 20 5 ECBDHN CCOc1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001025776067 739945000 /nfs/dbraw/zinc/94/50/00/739945000.db2.gz VOEAMKQBHBFPQL-SSZWKKLZSA-N 0 3 346.387 0.692 20 5 ECBDHN O=C(NCCNc1cc2c(cc1[N+](=O)[O-])CNC2)N1CCOCC1 ZINC001167891080 751699987 /nfs/dbraw/zinc/69/99/87/751699987.db2.gz CUSIHDADXNMIMM-UHFFFAOYSA-N 0 3 335.364 0.652 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000997883113 743868836 /nfs/dbraw/zinc/86/88/36/743868836.db2.gz LXXDMPMLUJOTNM-UHFFFAOYSA-N 0 3 348.367 0.088 20 5 ECBDHN NC(=O)C(=O)N1CCC(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000998014439 743931062 /nfs/dbraw/zinc/93/10/62/743931062.db2.gz GBFYMJUZTVTRKX-UHFFFAOYSA-N 0 3 326.378 0.470 20 5 ECBDHN COc1cc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccn1 ZINC001002782612 747779032 /nfs/dbraw/zinc/77/90/32/747779032.db2.gz MFJDBZZZDBQDKB-ZIAGYGMSSA-N 0 3 334.376 0.836 20 5 ECBDHN Cc1nccn1CC(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017446460 767997057 /nfs/dbraw/zinc/99/70/57/767997057.db2.gz PFTSDRJGPSNDKM-ZIAGYGMSSA-N 0 3 347.375 0.132 20 5 ECBDHN CCn1cc(CCN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001017544453 768099772 /nfs/dbraw/zinc/09/97/72/768099772.db2.gz RIZHGGLIRFJKFH-QKPAOTATSA-N 0 3 347.419 0.786 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCN(CC)CC2)n1 ZINC000427847064 210222828 /nfs/dbraw/zinc/22/28/28/210222828.db2.gz ULRVCWRVZFXJCX-LBPRGKRZSA-N 0 3 338.412 0.567 20 5 ECBDHN [NH3+][C@@H]1CCC[C@@H]1NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979029 283576024 /nfs/dbraw/zinc/57/60/24/283576024.db2.gz IQVRATVKBOGKJD-MNOVXSKESA-N 0 3 328.394 0.343 20 5 ECBDHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419968710 209264186 /nfs/dbraw/zinc/26/41/86/209264186.db2.gz DZJIWVUNTUQJFL-CQSZACIVSA-N 0 3 348.403 0.969 20 5 ECBDHN C[C@@H]([NH3+])CCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262751937 245160003 /nfs/dbraw/zinc/16/00/03/245160003.db2.gz GVBHUOZDYBBLAS-SNVBAGLBSA-N 0 3 344.393 0.117 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H]1COC[C@H]1OC ZINC000459833800 211871717 /nfs/dbraw/zinc/87/17/17/211871717.db2.gz VJFPKDSLJCQHJM-GXTWGEPZSA-N 0 3 339.348 0.935 20 5 ECBDHN CNc1nc(C(=O)NC[C@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000455981425 211635327 /nfs/dbraw/zinc/63/53/27/211635327.db2.gz DLDIDQMMIVOQCD-NSHDSACASA-N 0 3 337.380 0.608 20 5 ECBDHN CC[C@@H]1CN(C(=O)c2[n-]nc(C)c2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000266500213 248332561 /nfs/dbraw/zinc/33/25/61/248332561.db2.gz RXMZCDFKGTWPRG-MWLCHTKSSA-N 0 3 325.369 0.544 20 5 ECBDHN CC[C@@H]1CN(C(=O)c2[n-]nc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000266500213 248332562 /nfs/dbraw/zinc/33/25/62/248332562.db2.gz RXMZCDFKGTWPRG-MWLCHTKSSA-N 0 3 325.369 0.544 20 5 ECBDHN C[C@H]1CN(CCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000443676592 211030282 /nfs/dbraw/zinc/03/02/82/211030282.db2.gz VZKYHUYMMGCWGJ-RYUDHWBXSA-N 0 3 340.384 0.192 20 5 ECBDHN NC[C@H](NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000419169381 209010514 /nfs/dbraw/zinc/01/05/14/209010514.db2.gz ULVRXCHJIQWSRR-LBPRGKRZSA-N 0 3 340.767 0.718 20 5 ECBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H](CN)C2CC2)cc1[N+](=O)[O-] ZINC000419271390 209046976 /nfs/dbraw/zinc/04/69/76/209046976.db2.gz ONYLDJNMEFESFG-GXFFZTMASA-N 0 3 334.376 0.934 20 5 ECBDHN Cc1ccc(S(=O)(=O)N2CCO[C@H](CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000116900888 292176463 /nfs/dbraw/zinc/17/64/63/292176463.db2.gz IFPVXWRTDGRPEV-GFCCVEGCSA-N 0 3 343.405 0.854 20 5 ECBDHN COCCOC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075747317 296618808 /nfs/dbraw/zinc/61/88/08/296618808.db2.gz GSCUMUOTKKKPJV-ZDUSSCGKSA-N 0 3 328.369 0.280 20 5 ECBDHN NC(=O)C[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248446849 165174680 /nfs/dbraw/zinc/17/46/80/165174680.db2.gz HBRAQHCPSXDJSP-STQMWFEESA-N 0 3 337.376 0.922 20 5 ECBDHN Cn1ccnc1[C@H]1CNCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261698198 165229413 /nfs/dbraw/zinc/22/94/13/165229413.db2.gz FVUSYYHKWIMBCR-CQSZACIVSA-N 0 3 344.375 0.913 20 5 ECBDHN COCCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000262763375 165383893 /nfs/dbraw/zinc/38/38/93/165383893.db2.gz KENBFHIBFDVIDU-UHFFFAOYSA-N 0 3 333.366 0.118 20 5 ECBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000123808145 222334228 /nfs/dbraw/zinc/33/42/28/222334228.db2.gz VESDYCGCKKBGJQ-CQSZACIVSA-N 0 3 340.336 0.854 20 5 ECBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000184313473 263158405 /nfs/dbraw/zinc/15/84/05/263158405.db2.gz OMXQVJCCVZMZLS-CYBMUJFWSA-N 0 3 338.412 0.324 20 5 ECBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269619101 263192768 /nfs/dbraw/zinc/19/27/68/263192768.db2.gz MKQURWITCMCNMI-STQMWFEESA-N 0 3 336.392 0.993 20 5 ECBDHN CS[C@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1N(C)C ZINC000270960053 263289401 /nfs/dbraw/zinc/28/94/01/263289401.db2.gz RCZMJSQUVLIXPV-UWVGGRQHSA-N 0 3 327.410 0.754 20 5 ECBDHN COCCN(C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272268421 263342661 /nfs/dbraw/zinc/34/26/61/263342661.db2.gz CALNNMPATTVXBU-UHFFFAOYSA-N 0 3 325.321 0.632 20 5 ECBDHN CCN1CCN(CCNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000286273651 264385068 /nfs/dbraw/zinc/38/50/68/264385068.db2.gz WPQPMPDZKAAOHD-UHFFFAOYSA-N 0 3 337.380 0.826 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CN1CCCCC1 ZINC000288128658 264505477 /nfs/dbraw/zinc/50/54/77/264505477.db2.gz AOIMBFOPXVGEJA-CYBMUJFWSA-N 0 3 337.376 0.937 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295151481 265048330 /nfs/dbraw/zinc/04/83/30/265048330.db2.gz CDUGPRQNVGXGDW-MRXNPFEDSA-N 0 3 337.376 0.987 20 5 ECBDHN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)CO ZINC000295796152 265080060 /nfs/dbraw/zinc/08/00/60/265080060.db2.gz SBOVCNVSISRYHN-RKDXNWHRSA-N 0 3 325.321 0.869 20 5 ECBDHN CO[C@H](C)[C@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268801262 274075900 /nfs/dbraw/zinc/07/59/00/274075900.db2.gz GGBVXPFMAHKNKO-WDEREUQCSA-N 0 3 331.394 0.886 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1N(C)C ZINC000330817380 437622992 /nfs/dbraw/zinc/62/29/92/437622992.db2.gz CENDEBDJCKUSDN-WDEREUQCSA-N 0 3 325.394 0.690 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000337725399 297210496 /nfs/dbraw/zinc/21/04/96/297210496.db2.gz MAMUADVIHFDIJM-UHFFFAOYSA-N 0 3 338.412 0.242 20 5 ECBDHN CN1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC2)C1 ZINC000363870892 300301633 /nfs/dbraw/zinc/30/16/33/300301633.db2.gz XYKWWUYMXSMYDX-GFCCVEGCSA-N 0 3 348.407 0.424 20 5 ECBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(C[C@H](O)CN3CCOCC3)C2)c1 ZINC000373584356 301069023 /nfs/dbraw/zinc/06/90/23/301069023.db2.gz LAGNBIVJCVEZEU-DZGCQCFKSA-N 0 3 339.396 0.121 20 5 ECBDHN COC[C@H](C)OC[C@@H](O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375731537 301203592 /nfs/dbraw/zinc/20/35/92/301203592.db2.gz OCBMBVMVRGSIOC-GUTXKFCHSA-N 0 3 342.396 0.841 20 5 ECBDHN CN1CCC(O)(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000080491769 436320930 /nfs/dbraw/zinc/32/09/30/436320930.db2.gz IQFFUKLOFHOVIO-UHFFFAOYSA-N 0 3 336.392 0.893 20 5 ECBDHN CN(C)[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000109124101 436623955 /nfs/dbraw/zinc/62/39/55/436623955.db2.gz LNKIUSXICYWUFE-ZDUSSCGKSA-N 0 3 330.348 0.952 20 5 ECBDHN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](CN)C1 ZINC000120787115 436698192 /nfs/dbraw/zinc/69/81/92/436698192.db2.gz MVLCKGMBPJKGMO-SNVBAGLBSA-N 0 3 348.812 0.512 20 5 ECBDHN Cc1ccc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000123112504 436739429 /nfs/dbraw/zinc/73/94/29/436739429.db2.gz SXNZDSOSXHRDFO-UHFFFAOYSA-N 0 3 328.394 0.087 20 5 ECBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN(CCO)CCO ZINC000154927399 436786928 /nfs/dbraw/zinc/78/69/28/436786928.db2.gz GDNJVCUGXXDYQG-UHFFFAOYSA-N 0 3 325.321 0.179 20 5 ECBDHN CN1CC=C(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000274021862 436793510 /nfs/dbraw/zinc/79/35/10/436793510.db2.gz WCIKVGDBPOLIGP-UHFFFAOYSA-N 0 3 326.378 0.916 20 5 ECBDHN CN1CCN([C@H]2CCCCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000127077975 436795493 /nfs/dbraw/zinc/79/54/93/436795493.db2.gz GGTWOXABEPCRJW-LBPRGKRZSA-N 0 3 335.412 0.573 20 5 ECBDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000161482466 436892476 /nfs/dbraw/zinc/89/24/76/436892476.db2.gz NBSOLLPARHPZJQ-LBPRGKRZSA-N 0 3 335.357 0.325 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1N1CCCC1 ZINC000331639221 437136081 /nfs/dbraw/zinc/13/60/81/437136081.db2.gz UISAISCHWFHOLE-VXGBXAGGSA-N 0 3 339.421 0.980 20 5 ECBDHN COc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000324619062 437228961 /nfs/dbraw/zinc/22/89/61/437228961.db2.gz NMMILJVFOSEFNH-CYBMUJFWSA-N 0 3 336.348 0.959 20 5 ECBDHN O=C1C[C@]2(CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278751768 437341489 /nfs/dbraw/zinc/34/14/89/437341489.db2.gz AYFIZSWOMBSYHP-MLGOLLRUSA-N 0 3 335.360 0.547 20 5 ECBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000278880514 437351551 /nfs/dbraw/zinc/35/15/51/437351551.db2.gz PDOYFZAGCHDQMQ-GFCCVEGCSA-N 0 3 337.380 0.503 20 5 ECBDHN CC(=O)N[C@@H](C)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000360306901 437578911 /nfs/dbraw/zinc/57/89/11/437578911.db2.gz AVFUYOBZBMFHLQ-LBPRGKRZSA-N 0 3 336.392 0.993 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000360318859 437581195 /nfs/dbraw/zinc/58/11/95/437581195.db2.gz NZUVJIMAVVMQIQ-CYBMUJFWSA-N 0 3 346.387 0.986 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(OCCO)CC1 ZINC000343756519 437647400 /nfs/dbraw/zinc/64/74/00/437647400.db2.gz YXKNMLGKZGVCBW-CYBMUJFWSA-N 0 3 340.376 0.808 20 5 ECBDHN Cc1n[n-]c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331300622 437737612 /nfs/dbraw/zinc/73/76/12/437737612.db2.gz UTVFAUXNDRXIMI-VIFPVBQESA-N 0 3 325.369 0.544 20 5 ECBDHN Cc1n[n-]c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331300622 437737615 /nfs/dbraw/zinc/73/76/15/437737615.db2.gz UTVFAUXNDRXIMI-VIFPVBQESA-N 0 3 325.369 0.544 20 5 ECBDHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423730450 437816442 /nfs/dbraw/zinc/81/64/42/437816442.db2.gz YANHFNZXJDERQD-LBPRGKRZSA-N 0 3 349.391 0.049 20 5 ECBDHN N[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1F ZINC000424038914 437880262 /nfs/dbraw/zinc/88/02/62/437880262.db2.gz MMMRWNWXKZYFDM-WCQYABFASA-N 0 3 333.323 0.884 20 5 ECBDHN C[C@H](CN)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415605843 437830619 /nfs/dbraw/zinc/83/06/19/437830619.db2.gz XTGZJVNKWNQQDH-ZCFIWIBFSA-N 0 3 345.153 0.759 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2[C@H](CO)CC[C@H]2CO)c1 ZINC000347276895 437865251 /nfs/dbraw/zinc/86/52/51/437865251.db2.gz OGYNNQXMHYZWMR-MELADBBJSA-N 0 3 326.349 0.152 20 5 ECBDHN N[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000417905855 438088800 /nfs/dbraw/zinc/08/88/00/438088800.db2.gz DGCNOWUCFFMTNL-LSDHHAIUSA-N 0 3 344.375 0.928 20 5 ECBDHN CC(C)(O)CN1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000372497436 438090316 /nfs/dbraw/zinc/09/03/16/438090316.db2.gz UANIGSCILWHPJX-UHFFFAOYSA-N 0 3 325.369 0.097 20 5 ECBDHN CN1CCC([N@@H+]2CC[C@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000373098409 438130244 /nfs/dbraw/zinc/13/02/44/438130244.db2.gz JFHASZZSLWVSTO-LBPRGKRZSA-N 0 3 349.391 0.594 20 5 ECBDHN CN1CCC([N@H+]2CC[C@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000373098409 438130247 /nfs/dbraw/zinc/13/02/47/438130247.db2.gz JFHASZZSLWVSTO-LBPRGKRZSA-N 0 3 349.391 0.594 20 5 ECBDHN C[NH+]1CCC(N2CC[C@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000373098409 438130251 /nfs/dbraw/zinc/13/02/51/438130251.db2.gz JFHASZZSLWVSTO-LBPRGKRZSA-N 0 3 349.391 0.594 20 5 ECBDHN C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H](c1ccccc1)N(C)C ZINC000349222352 438142304 /nfs/dbraw/zinc/14/23/04/438142304.db2.gz YRYCBZOYFWATOT-RISCZKNCSA-N 0 3 332.364 0.994 20 5 ECBDHN Cc1cc(OCC(=O)NCCOCCN(C)C)ccc1[N+](=O)[O-] ZINC000435797477 438384237 /nfs/dbraw/zinc/38/42/37/438384237.db2.gz DOUGUCRCBCUAEA-UHFFFAOYSA-N 0 3 325.365 0.976 20 5 ECBDHN CN1CCC[C@H](N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000369358238 438460986 /nfs/dbraw/zinc/46/09/86/438460986.db2.gz KOUCUZYNBZKDBD-ZDUSSCGKSA-N 0 3 336.396 0.030 20 5 ECBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000359843006 438507765 /nfs/dbraw/zinc/50/77/65/438507765.db2.gz QUHGKEVWKAZEDB-HIFRSBDPSA-N 0 3 326.349 0.418 20 5 ECBDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369825209 438521123 /nfs/dbraw/zinc/52/11/23/438521123.db2.gz GZQLCMGGWXBAAX-ASEORRQLSA-N 0 3 337.380 0.271 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1CCO ZINC000452789839 438672903 /nfs/dbraw/zinc/67/29/03/438672903.db2.gz BPPUGQHGSWMSGN-CYBMUJFWSA-N 0 3 336.392 0.970 20 5 ECBDHN C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)NCCN(C)C ZINC000576417927 438782202 /nfs/dbraw/zinc/78/22/02/438782202.db2.gz ZAOSLDHUGXDCPO-SNVBAGLBSA-N 0 3 347.375 0.872 20 5 ECBDHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595668626 438842444 /nfs/dbraw/zinc/84/24/44/438842444.db2.gz USVSFDJSVVRSPN-KWCYVHTRSA-N 0 3 340.332 0.255 20 5 ECBDHN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000588873796 438846244 /nfs/dbraw/zinc/84/62/44/438846244.db2.gz PJIXFQQIDQMEDF-GFCCVEGCSA-N 0 3 336.392 0.710 20 5 ECBDHN NC(=O)[C@H]1CC[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])O1 ZINC000565359372 438944229 /nfs/dbraw/zinc/94/42/29/438944229.db2.gz VBWLWKSBYJGCPP-ZWNOBZJWSA-N 0 3 336.348 0.546 20 5 ECBDHN CNc1nccc(C(=O)NCCCN(C)CCOC)c1[N+](=O)[O-] ZINC000590423817 438921688 /nfs/dbraw/zinc/92/16/88/438921688.db2.gz OXFWCUIJKSFTEY-UHFFFAOYSA-N 0 3 325.369 0.730 20 5 ECBDHN CCOC(=O)c1cc(C(=O)N2CCOC3(CNC3)C2)cc([N+](=O)[O-])c1 ZINC000596098086 438924886 /nfs/dbraw/zinc/92/48/86/438924886.db2.gz MJFVCBJLJWUOBP-UHFFFAOYSA-N 0 3 349.343 0.586 20 5 ECBDHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCOC2(CNC2)C1 ZINC000596105048 438926001 /nfs/dbraw/zinc/92/60/01/438926001.db2.gz LXWGZAJMUZYZJR-UHFFFAOYSA-N 0 3 343.343 0.595 20 5 ECBDHN Cc1nn(C)c(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000590565678 438933919 /nfs/dbraw/zinc/93/39/19/438933919.db2.gz PJNJJYAVWKFSKP-RYUDHWBXSA-N 0 3 337.380 0.572 20 5 ECBDHN CN1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000565656331 438969876 /nfs/dbraw/zinc/96/98/76/438969876.db2.gz LCPAIAQOXGWYPY-CQSZACIVSA-N 0 3 347.419 0.910 20 5 ECBDHN C[C@]1(F)CNCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000601981764 438995620 /nfs/dbraw/zinc/99/56/20/438995620.db2.gz XFSKYGIXTXEKHM-AWEZNQCLSA-N 0 3 340.359 0.359 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](CO)[C@H](O)C1 ZINC000566761045 439087192 /nfs/dbraw/zinc/08/71/92/439087192.db2.gz CEDWGOMBHBZVOI-IUODEOHRSA-N 0 3 337.376 0.907 20 5 ECBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000591756691 439081241 /nfs/dbraw/zinc/08/12/41/439081241.db2.gz QBZGWZODDIEGAW-BJJXKVORSA-N 0 3 339.392 0.643 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)C[C@@H]1CO ZINC000602906160 439156397 /nfs/dbraw/zinc/15/63/97/439156397.db2.gz QIOKHOWIWKPJLN-CQSZACIVSA-N 0 3 336.392 0.840 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CCN2C1=O ZINC000581022678 439160339 /nfs/dbraw/zinc/16/03/39/439160339.db2.gz DRGRRVZGVGIBLK-NXEZZACHSA-N 0 3 328.332 0.286 20 5 ECBDHN CCc1n[nH]c(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000597694805 439162650 /nfs/dbraw/zinc/16/26/50/439162650.db2.gz NXOBYQGAMUGCFA-VXGBXAGGSA-N 0 3 337.380 0.816 20 5 ECBDHN C[C@@H]1C[C@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000592363455 439212199 /nfs/dbraw/zinc/21/21/99/439212199.db2.gz ZBNWEDGUSWEOHR-MNOVXSKESA-N 0 3 329.378 0.640 20 5 ECBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525688604 439212957 /nfs/dbraw/zinc/21/29/57/439212957.db2.gz FKRPEWINACDLMV-UHFFFAOYSA-N 0 3 328.394 0.952 20 5 ECBDHN C[C@@H](N)[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475947 439236751 /nfs/dbraw/zinc/23/67/51/439236751.db2.gz WZEZDGIDGOAKFU-RISCZKNCSA-N 0 3 343.405 0.417 20 5 ECBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569379441 439327556 /nfs/dbraw/zinc/32/75/56/439327556.db2.gz CRUNLXGZNLXEIM-IJLUTSLNSA-N 0 3 347.375 0.166 20 5 ECBDHN COc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1OC ZINC000569430535 439330219 /nfs/dbraw/zinc/33/02/19/439330219.db2.gz FXZFPPCFNBPMKB-ZDUSSCGKSA-N 0 3 336.348 0.959 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(CCN(C)C)C(=O)C1 ZINC000593053130 439333774 /nfs/dbraw/zinc/33/37/74/439333774.db2.gz XKVOLUWZFJSXMO-UHFFFAOYSA-N 0 3 336.392 0.809 20 5 ECBDHN CC1(C)CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1 ZINC000598664597 439297721 /nfs/dbraw/zinc/29/77/21/439297721.db2.gz HAIYJCIRNLGPDN-UHFFFAOYSA-N 0 3 335.364 0.927 20 5 ECBDHN Cc1c(CC(=O)N2CCN(CCN(C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000593235376 439354537 /nfs/dbraw/zinc/35/45/37/439354537.db2.gz OTMKOHHQHHECKB-UHFFFAOYSA-N 0 3 348.403 0.678 20 5 ECBDHN Cc1c(C(=O)N2CCN(CCN(C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000593234703 439355358 /nfs/dbraw/zinc/35/53/58/439355358.db2.gz HPFPPWSHFYTSJG-UHFFFAOYSA-N 0 3 334.376 0.749 20 5 ECBDHN CN(C)CCN1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593316813 439367579 /nfs/dbraw/zinc/36/75/79/439367579.db2.gz YAOZAHNSJQFEKL-UHFFFAOYSA-N 0 3 349.391 0.510 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)n1 ZINC000599260774 439403570 /nfs/dbraw/zinc/40/35/70/439403570.db2.gz FFLUZIRKAOFPTJ-WDEREUQCSA-N 0 3 343.409 0.433 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)n1 ZINC000599260773 439405015 /nfs/dbraw/zinc/40/50/15/439405015.db2.gz FFLUZIRKAOFPTJ-QWRGUYRKSA-N 0 3 343.409 0.433 20 5 ECBDHN CON1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000583317441 439447833 /nfs/dbraw/zinc/44/78/33/439447833.db2.gz IVEYZLPPJZBOFF-UHFFFAOYSA-N 0 3 343.405 0.984 20 5 ECBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594028015 439508493 /nfs/dbraw/zinc/50/84/93/439508493.db2.gz YXDDBIALWPVGOQ-TUKIKUTGSA-N 0 3 334.376 0.673 20 5 ECBDHN COC(=O)[C@@H]1C[C@@H](C)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000599688666 439536561 /nfs/dbraw/zinc/53/65/61/439536561.db2.gz LIKNIWLONFCOMD-GFQSEFKGSA-N 0 3 340.380 0.814 20 5 ECBDHN COCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000594568888 439577630 /nfs/dbraw/zinc/57/76/30/439577630.db2.gz GBDNOXZTSZXXJG-ZDUSSCGKSA-N 0 3 335.364 0.792 20 5 ECBDHN CCN(CCN)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599947070 439582489 /nfs/dbraw/zinc/58/24/89/439582489.db2.gz OSVNGMYIPQURDT-UHFFFAOYSA-N 0 3 336.392 0.841 20 5 ECBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000610259685 439606164 /nfs/dbraw/zinc/60/61/64/439606164.db2.gz QBGZLNXPSHTRPK-UHFFFAOYSA-N 0 3 349.372 0.896 20 5 ECBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594878127 439637055 /nfs/dbraw/zinc/63/70/55/439637055.db2.gz OFOZMRLDFNQHKF-QWHCGFSZSA-N 0 3 346.387 0.904 20 5 ECBDHN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595257677 439683683 /nfs/dbraw/zinc/68/36/83/439683683.db2.gz NWPMQRKOLMOYIA-LBPRGKRZSA-N 0 3 332.320 0.486 20 5 ECBDHN CS[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1N(C)C ZINC000330502997 320831392 /nfs/dbraw/zinc/83/13/92/320831392.db2.gz YIDAAJKAZGAFKR-RYUDHWBXSA-N 0 3 340.405 0.261 20 5 ECBDHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340233444 321026677 /nfs/dbraw/zinc/02/66/77/321026677.db2.gz VXDYLAOPXYUOJU-UHFFFAOYSA-N 0 3 339.396 0.043 20 5 ECBDHN O=C(NCCCCN1CC[NH+](CCO)CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340233444 321026678 /nfs/dbraw/zinc/02/66/78/321026678.db2.gz VXDYLAOPXYUOJU-UHFFFAOYSA-N 0 3 339.396 0.043 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1[C@@H](CO)CC[C@H]1CO ZINC000347308836 321235421 /nfs/dbraw/zinc/23/54/21/321235421.db2.gz NNDRLRKWMDGWKY-XQQFMLRXSA-N 0 3 326.349 0.152 20 5 ECBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCN1CCC2 ZINC000534275076 322073806 /nfs/dbraw/zinc/07/38/06/322073806.db2.gz SNQHFLQVMZBDFS-HNNXBMFYSA-N 0 3 334.376 0.480 20 5 ECBDHN Cc1nn(CCC(=O)NCCOCCN(C)C)c(C)c1[N+](=O)[O-] ZINC000538682784 322081064 /nfs/dbraw/zinc/08/10/64/322081064.db2.gz ZQRWVJBXAUPVBE-UHFFFAOYSA-N 0 3 327.385 0.493 20 5 ECBDHN CC(C)N1CCN([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000556930577 322200020 /nfs/dbraw/zinc/20/00/20/322200020.db2.gz TVBZEFRWVNQCQA-LBPRGKRZSA-N 0 3 336.396 0.558 20 5 ECBDHN C[C@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000564852029 322399689 /nfs/dbraw/zinc/39/96/89/322399689.db2.gz UPCHJGHCGYZJOX-GHMZBOCLSA-N 0 3 332.378 0.357 20 5 ECBDHN CC(C)N1C[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000567682372 322592554 /nfs/dbraw/zinc/59/25/54/322592554.db2.gz OYFZEAGVFUZRAY-OCCSQVGLSA-N 0 3 337.376 0.933 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](CO)Cc1cccnc1 ZINC000575312466 322793602 /nfs/dbraw/zinc/79/36/02/322793602.db2.gz SONSCNTXGMPEQV-CABCVRRESA-N 0 3 347.371 0.923 20 5 ECBDHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000579142462 322888123 /nfs/dbraw/zinc/88/81/23/322888123.db2.gz PDUJZGFGRXEDBT-GVXVVHGQSA-N 0 3 347.375 0.609 20 5 ECBDHN Cc1n[nH]c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000733158295 578333048 /nfs/dbraw/zinc/33/30/48/578333048.db2.gz MDXZWACGCXVBRJ-LBPRGKRZSA-N 0 3 337.380 1.000 20 5 ECBDHN CC(COC(=O)c1c(I)cnn1C)[N+](=O)[O-] ZINC000797277558 578631896 /nfs/dbraw/zinc/63/18/96/578631896.db2.gz CGGQPDVMMXJFOK-RXMQYKEDSA-N 0 3 339.089 0.847 20 5 ECBDHN O=C1NC(=O)[C@]2(CCCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000789380303 578853095 /nfs/dbraw/zinc/85/30/95/578853095.db2.gz XONOQVVWEKDBAE-SWLSCSKDSA-N 0 3 334.332 0.302 20 5 ECBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000843357960 589063814 /nfs/dbraw/zinc/06/38/14/589063814.db2.gz URTIAHFYFCBEJO-NSHDSACASA-N 0 3 337.336 0.526 20 5 ECBDHN O=[N+]([O-])CCNC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000905125662 586873004 /nfs/dbraw/zinc/87/30/04/586873004.db2.gz ASOLKNYDWZSQDZ-UHFFFAOYSA-N 0 3 327.406 0.847 20 5 ECBDHN CON(C)S(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813103475 587248043 /nfs/dbraw/zinc/24/80/43/587248043.db2.gz BQGWXTKHVMBKKV-SECBINFHSA-N 0 3 332.334 0.691 20 5 ECBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[N+](=O)[O-] ZINC000813101582 587248151 /nfs/dbraw/zinc/24/81/51/587248151.db2.gz DPJFLGUXQJBKHV-VIFPVBQESA-N 0 3 332.334 0.886 20 5 ECBDHN CC(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[N+](=O)[O-] ZINC000813106504 587248473 /nfs/dbraw/zinc/24/84/73/587248473.db2.gz CUJMPWYHEKUEAO-SSDOTTSWSA-N 0 3 337.244 0.399 20 5 ECBDHN CCn1c(=O)c2ccccc2n(CC(=O)OCC(C)[N+](=O)[O-])c1=O ZINC000813107428 587248548 /nfs/dbraw/zinc/24/85/48/587248548.db2.gz QIUSSMLJMBPHNN-SNVBAGLBSA-N 0 3 335.316 0.392 20 5 ECBDHN CC(C)NS(=O)(=O)NCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819264524 587474752 /nfs/dbraw/zinc/47/47/52/587474752.db2.gz WMXQYUUPEADMCZ-CYBMUJFWSA-N 0 3 346.409 0.050 20 5 ECBDHN CC(C)NS(=O)(=O)NCCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819264389 587474934 /nfs/dbraw/zinc/47/49/34/587474934.db2.gz SPLYPAPKJUFWBI-CYBMUJFWSA-N 0 3 346.409 0.050 20 5 ECBDHN Cc1cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000861710207 589877624 /nfs/dbraw/zinc/87/76/24/589877624.db2.gz AOJKHTUOKSLLLU-NEPJUHHUSA-N 0 3 334.376 0.767 20 5 ECBDHN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861716560 589879270 /nfs/dbraw/zinc/87/92/70/589879270.db2.gz RPWWGPNYHSGUII-RRFJBIMHSA-N 0 3 335.360 0.296 20 5 ECBDHN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccncc1 ZINC000881636900 590462707 /nfs/dbraw/zinc/46/27/07/590462707.db2.gz RBDMBGHLKGZFLX-GFCCVEGCSA-N 0 3 330.348 0.924 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886043805 590788879 /nfs/dbraw/zinc/78/88/79/590788879.db2.gz KKKSBZZALNBMAU-AWEZNQCLSA-N 0 3 333.392 0.728 20 5 ECBDHN CCN1CCN([C@@H](C)CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000932701531 611657389 /nfs/dbraw/zinc/65/73/89/611657389.db2.gz CNILEZRZBSRLAT-LBPRGKRZSA-N 0 3 338.412 0.242 20 5 ECBDHN Cc1c[nH]c(C(=O)N2CCC(NCc3c([N+](=O)[O-])ncn3C)CC2)n1 ZINC000997081827 743207961 /nfs/dbraw/zinc/20/79/61/743207961.db2.gz ZKOZCYKHCZNBFV-UHFFFAOYSA-N 0 3 347.379 0.754 20 5 ECBDHN CN(C)c1ccncc1C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001806635 746737115 /nfs/dbraw/zinc/73/71/15/746737115.db2.gz LRVDPVXJUHWDTE-BXUZGUMPSA-N 0 3 347.375 0.001 20 5 ECBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(NCc2nc(C(F)F)no2)CC1 ZINC000996428456 757653879 /nfs/dbraw/zinc/65/38/79/757653879.db2.gz DXVWHLAILVHWOD-RKDXNWHRSA-N 0 3 345.306 0.753 20 5 ECBDHN CC(C)(C)n1nnc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001127764905 758419030 /nfs/dbraw/zinc/41/90/30/758419030.db2.gz FQPGCIBZXBYODC-UHFFFAOYSA-N 0 3 347.379 0.856 20 5 ECBDHN COc1ccnc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)c1 ZINC001072726090 788653362 /nfs/dbraw/zinc/65/33/62/788653362.db2.gz BJBIHEROYJBXJW-HUUCEWRRSA-N 0 3 346.387 0.790 20 5 ECBDHN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428544804 210266729 /nfs/dbraw/zinc/26/67/29/210266729.db2.gz KGHAWGCHRDXGEX-CYBMUJFWSA-N 0 3 346.347 0.392 20 5 ECBDHN CN(C)CCN1C[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])CC1=O ZINC000174007971 231098478 /nfs/dbraw/zinc/09/84/78/231098478.db2.gz YNYPXOJWKMNZII-ZDUSSCGKSA-N 0 3 334.376 0.621 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCN(CC)CC2)n1 ZINC000427847062 210222672 /nfs/dbraw/zinc/22/26/72/210222672.db2.gz ULRVCWRVZFXJCX-GFCCVEGCSA-N 0 3 338.412 0.567 20 5 ECBDHN CNC(=O)c1ccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174693318 529937455 /nfs/dbraw/zinc/93/74/55/529937455.db2.gz GJYGYWPHCGRHNP-HNNXBMFYSA-N 0 3 347.375 0.644 20 5 ECBDHN COCCNCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262676762 245115792 /nfs/dbraw/zinc/11/57/92/245115792.db2.gz UJTVXESAYHLFOG-UHFFFAOYSA-N 0 3 325.321 0.332 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CO)[C@H]2CCCO2)c1 ZINC000447922336 211217601 /nfs/dbraw/zinc/21/76/01/211217601.db2.gz OSGNIPQQAREULX-BPLDGKMQSA-N 0 3 326.349 0.464 20 5 ECBDHN NC(=O)[C@]1(c2ccccc2)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000411955968 208178297 /nfs/dbraw/zinc/17/82/97/208178297.db2.gz ARYGMPZITXNUTP-MRXNPFEDSA-N 0 3 329.360 0.920 20 5 ECBDHN CN1CCC(CNc2ccncc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000413485617 208332160 /nfs/dbraw/zinc/33/21/60/208332160.db2.gz WPAGQQPERYKJGR-UHFFFAOYSA-N 0 3 335.408 0.620 20 5 ECBDHN COC(=O)[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000191867833 533431223 /nfs/dbraw/zinc/43/12/23/533431223.db2.gz ATYVCLHCGGGASB-WXHSDQCUSA-N 0 3 326.353 0.283 20 5 ECBDHN CN1C[C@@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000192921173 165050655 /nfs/dbraw/zinc/05/06/55/165050655.db2.gz GSSYFCSYJPYRJX-BETUJISGSA-N 0 3 325.390 0.918 20 5 ECBDHN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCCNCC1 ZINC000262168944 165303463 /nfs/dbraw/zinc/30/34/63/165303463.db2.gz OOQDNMXPHMUZKT-UHFFFAOYSA-N 0 3 334.332 0.142 20 5 ECBDHN COC[C@@]1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262430970 165347931 /nfs/dbraw/zinc/34/79/31/165347931.db2.gz FWLQTXYNYLCRMH-ZDUSSCGKSA-N 0 3 329.378 0.642 20 5 ECBDHN CN1CC[C@@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284965511 264263785 /nfs/dbraw/zinc/26/37/85/264263785.db2.gz WSEWLLSSSBRMHG-CABCVRRESA-N 0 3 334.376 0.599 20 5 ECBDHN C[C@H](CO)[C@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000295796146 265080292 /nfs/dbraw/zinc/08/02/92/265080292.db2.gz SBOVCNVSISRYHN-BDAKNGLRSA-N 0 3 325.321 0.869 20 5 ECBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCN(C)CC2)c1 ZINC000299190308 265347672 /nfs/dbraw/zinc/34/76/72/265347672.db2.gz MUWKAAWBRIIHHU-UHFFFAOYSA-N 0 3 336.392 0.971 20 5 ECBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000343521272 437597640 /nfs/dbraw/zinc/59/76/40/437597640.db2.gz IVGJFGBUKKPLNY-LBPRGKRZSA-N 0 3 332.364 0.823 20 5 ECBDHN COCCOc1cc([N+](=O)[O-])c(C(=O)NCCN(C)C)cc1OC ZINC000344063151 297978041 /nfs/dbraw/zinc/97/80/41/297978041.db2.gz ZUGXIJMMEQICRA-UHFFFAOYSA-N 0 3 341.364 0.920 20 5 ECBDHN COc1ccc(CNC2CCN(c3nnnn3C)CC2)cc1[N+](=O)[O-] ZINC000369086964 300705907 /nfs/dbraw/zinc/70/59/07/300705907.db2.gz COFCWSUSIIYWGZ-UHFFFAOYSA-N 0 3 347.379 0.886 20 5 ECBDHN COC(=O)CNC(=O)CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375403236 301172478 /nfs/dbraw/zinc/17/24/78/301172478.db2.gz LLPZJIMHQHJVDT-LLVKDONJSA-N 0 3 339.352 0.108 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000375497139 301180131 /nfs/dbraw/zinc/18/01/31/301180131.db2.gz QTFWIBHUBYSWRF-LLVKDONJSA-N 0 3 325.369 0.015 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000375497140 301180174 /nfs/dbraw/zinc/18/01/74/301180174.db2.gz QTFWIBHUBYSWRF-NSHDSACASA-N 0 3 325.369 0.015 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000545154494 302231081 /nfs/dbraw/zinc/23/10/81/302231081.db2.gz OHHKMIFJUSWLRT-OAHLLOKOSA-N 0 3 337.332 0.162 20 5 ECBDHN C[C@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CN1Cc1ccccc1 ZINC000137533106 436659699 /nfs/dbraw/zinc/65/96/99/436659699.db2.gz FNKRCMODMPUADH-GXTWGEPZSA-N 0 3 344.375 0.966 20 5 ECBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000269306782 436656735 /nfs/dbraw/zinc/65/67/35/436656735.db2.gz GNIOHMWFYJSBPE-ZDUSSCGKSA-N 0 3 328.365 0.257 20 5 ECBDHN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000552308001 302389762 /nfs/dbraw/zinc/38/97/62/302389762.db2.gz CCNIBJUWGAQSMO-NSHDSACASA-N 0 3 338.364 0.156 20 5 ECBDHN CS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CN)cc([N+](=O)[O-])c1 ZINC000237422850 436734589 /nfs/dbraw/zinc/73/45/89/436734589.db2.gz UJMCYZMJLUNWEH-NSHDSACASA-N 0 3 341.389 0.952 20 5 ECBDHN O=C(CCN(CCO)CCCO)Nc1cc([N+](=O)[O-])ccc1F ZINC000128603366 436818491 /nfs/dbraw/zinc/81/84/91/436818491.db2.gz RVNFFIZNKSERMP-UHFFFAOYSA-N 0 3 329.328 0.739 20 5 ECBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N1CCC(C)CC1 ZINC000127052744 436795892 /nfs/dbraw/zinc/79/58/92/436795892.db2.gz KQRIBKLBPNQPAR-CYBMUJFWSA-N 0 3 336.392 0.993 20 5 ECBDHN O=C(NCC(F)(F)F)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000275134006 436928067 /nfs/dbraw/zinc/92/80/67/436928067.db2.gz SMYLMXUPNRKFAP-SECBINFHSA-N 0 3 335.286 0.792 20 5 ECBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(CO)CO ZINC000135864638 436926045 /nfs/dbraw/zinc/92/60/45/436926045.db2.gz KCKVQOGISRQDMY-UHFFFAOYSA-N 0 3 325.365 0.846 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)NCC1CCN(CCO)CC1 ZINC000160591773 436875335 /nfs/dbraw/zinc/87/53/35/436875335.db2.gz BECKXFDWDNYXHA-UHFFFAOYSA-N 0 3 337.376 0.794 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](CO)CN1CCCCC1 ZINC000293733089 436905258 /nfs/dbraw/zinc/90/52/58/436905258.db2.gz WMZKLWXUFSKMNI-CYBMUJFWSA-N 0 3 337.376 0.937 20 5 ECBDHN CCC[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262092540 436907374 /nfs/dbraw/zinc/90/73/74/436907374.db2.gz ARDVDGQNLGZQNU-LBPRGKRZSA-N 0 3 344.393 0.117 20 5 ECBDHN COCCN(CCOC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000298698964 437048673 /nfs/dbraw/zinc/04/86/73/437048673.db2.gz UZXKLDKMNPFXSP-ZDUSSCGKSA-N 0 3 328.365 0.929 20 5 ECBDHN COCCN(C)CCCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000299540203 437086405 /nfs/dbraw/zinc/08/64/05/437086405.db2.gz UCPVJUQHRKNUMA-UHFFFAOYSA-N 0 3 327.385 0.574 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@](O)(C(N)=O)C1 ZINC000276450743 437105998 /nfs/dbraw/zinc/10/59/98/437105998.db2.gz MVZLDBUZONEVQG-OAHLLOKOSA-N 0 3 336.348 0.154 20 5 ECBDHN CN(C)C1CN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000302137636 437138231 /nfs/dbraw/zinc/13/82/31/437138231.db2.gz NJYZWQOREXWUBV-UHFFFAOYSA-N 0 3 334.376 0.817 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000287406216 437186259 /nfs/dbraw/zinc/18/62/59/437186259.db2.gz OGYNNQXMHYZWMR-MGPQQGTHSA-N 0 3 326.349 0.152 20 5 ECBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000331993569 437193143 /nfs/dbraw/zinc/19/31/43/437193143.db2.gz YGTRNERTCOZALL-QWHCGFSZSA-N 0 3 334.376 0.842 20 5 ECBDHN O=C(CCN1[C@@H](CO)CC[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000287586027 437208175 /nfs/dbraw/zinc/20/81/75/437208175.db2.gz YAQBRYNOKWJTIJ-VXGBXAGGSA-N 0 3 341.339 0.880 20 5 ECBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268170327 437378007 /nfs/dbraw/zinc/37/80/07/437378007.db2.gz JVWBJISDVPWBJZ-NHYWBVRUSA-N 0 3 346.387 0.924 20 5 ECBDHN CN1CC[C@@]2(CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292278574 437675365 /nfs/dbraw/zinc/67/53/65/437675365.db2.gz QRUCVVNWDSFUHN-QGZVFWFLSA-N 0 3 346.387 0.879 20 5 ECBDHN CS[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1N1CCCC1 ZINC000331374222 437748152 /nfs/dbraw/zinc/74/81/52/437748152.db2.gz CLRGEEXNEYMKQP-QWRGUYRKSA-N 0 3 340.409 0.225 20 5 ECBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000423646311 437788972 /nfs/dbraw/zinc/78/89/72/437788972.db2.gz LSTWLASNTWARRG-CQSZACIVSA-N 0 3 334.376 0.545 20 5 ECBDHN O=C(NC[C@H]1CNCCO1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423984027 437869110 /nfs/dbraw/zinc/86/91/10/437869110.db2.gz AZCXFRGYSSJTDD-CYBMUJFWSA-N 0 3 331.332 0.499 20 5 ECBDHN O=C(NC[C@H]1CNCCO1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000423986940 437871012 /nfs/dbraw/zinc/87/10/12/437871012.db2.gz GWCYWVOBIJQRDW-CQSZACIVSA-N 0 3 331.332 0.499 20 5 ECBDHN Cn1cc([C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000424220998 437905975 /nfs/dbraw/zinc/90/59/75/437905975.db2.gz BBTWAFRDVKXONX-UONOGXRCSA-N 0 3 329.360 0.824 20 5 ECBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000371502099 437943948 /nfs/dbraw/zinc/94/39/48/437943948.db2.gz ZSLQVIPIEYFMRJ-VXGBXAGGSA-N 0 3 349.343 0.917 20 5 ECBDHN CN1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000372013694 438024267 /nfs/dbraw/zinc/02/42/67/438024267.db2.gz PHIBRUDNRVKAGU-CQSZACIVSA-N 0 3 333.392 0.842 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428555626 438091782 /nfs/dbraw/zinc/09/17/82/438091782.db2.gz ZAZVHUGYQQTFSS-HNNXBMFYSA-N 0 3 345.359 0.997 20 5 ECBDHN C[C@@H]1CC[C@@H](C(N)=O)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348531288 438071150 /nfs/dbraw/zinc/07/11/50/438071150.db2.gz MEMMHOHRPMMBFN-YRGRVCCFSA-N 0 3 337.376 0.920 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000358060835 438135840 /nfs/dbraw/zinc/13/58/40/438135840.db2.gz GEHBPCVOGKQCHO-INIZCTEOSA-N 0 3 345.359 0.577 20 5 ECBDHN COC(=O)c1cc(C(=O)NC[C@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000358058766 438137555 /nfs/dbraw/zinc/13/75/55/438137555.db2.gz QSHPUHGCLIWFKS-OAHLLOKOSA-N 0 3 337.332 0.178 20 5 ECBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000373306010 438143274 /nfs/dbraw/zinc/14/32/74/438143274.db2.gz SXCYIIVNEVJCCF-QWHCGFSZSA-N 0 3 349.391 0.865 20 5 ECBDHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351577899 438294736 /nfs/dbraw/zinc/29/47/36/438294736.db2.gz VVBCXRDKJOSQEB-UHFFFAOYSA-N 0 3 342.327 0.103 20 5 ECBDHN CCCC[C@H](CN)NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418926225 438250455 /nfs/dbraw/zinc/25/04/55/438250455.db2.gz UEPMEPREOIGMQC-CYBMUJFWSA-N 0 3 336.392 0.887 20 5 ECBDHN Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCCO2)c([N+](=O)[O-])c1 ZINC000420453037 438408784 /nfs/dbraw/zinc/40/87/84/438408784.db2.gz JTKCBHYWWOKOKS-NSHDSACASA-N 0 3 329.378 0.560 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000493866741 438654834 /nfs/dbraw/zinc/65/48/34/438654834.db2.gz DFJBACXJWQTUIQ-OOPLNXAUSA-N 0 3 330.344 0.378 20 5 ECBDHN C[C@H]1[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000494029169 438666515 /nfs/dbraw/zinc/66/65/15/438666515.db2.gz VGWLREWDSUZQHB-JSGCOSHPSA-N 0 3 344.375 0.966 20 5 ECBDHN COC(=O)Nc1ccc(S(=O)(=O)NC2CNC2)cc1[N+](=O)[O-] ZINC000497163303 438772744 /nfs/dbraw/zinc/77/27/44/438772744.db2.gz DIBCRBQBXCRCNO-UHFFFAOYSA-N 0 3 330.322 0.023 20 5 ECBDHN CC(C)(C)OC(=O)N1CC(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000497255849 438785429 /nfs/dbraw/zinc/78/54/29/438785429.db2.gz ZZWPWWMDNMZRBP-GFCCVEGCSA-N 0 3 341.368 0.361 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@]1(O)CN2CCC1CC2 ZINC000556849889 438791484 /nfs/dbraw/zinc/79/14/84/438791484.db2.gz DWAGBSOWSQGPTJ-INIZCTEOSA-N 0 3 335.360 0.547 20 5 ECBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN(C)C)cc1SC ZINC000588865164 438845642 /nfs/dbraw/zinc/84/56/42/438845642.db2.gz WWSHHLUCNUXMNL-SECBINFHSA-N 0 3 343.405 0.978 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2cnccn2)cc1 ZINC000515467304 438868448 /nfs/dbraw/zinc/86/84/48/438868448.db2.gz XLGUOUYYJUXROM-UHFFFAOYSA-N 0 3 336.373 0.991 20 5 ECBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000595992333 438910254 /nfs/dbraw/zinc/91/02/54/438910254.db2.gz XKNMXXRFBANDTH-UHFFFAOYSA-N 0 3 347.331 0.878 20 5 ECBDHN COc1cc(OCC(=O)N2CCOC3(CNC3)C2)ccc1[N+](=O)[O-] ZINC000596099261 438924208 /nfs/dbraw/zinc/92/42/08/438924208.db2.gz QSKGHFMBNADOEK-UHFFFAOYSA-N 0 3 337.332 0.183 20 5 ECBDHN CN1CC[C@@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000590776650 438957853 /nfs/dbraw/zinc/95/78/53/438957853.db2.gz QYTBFOHFOGMUBL-OCCSQVGLSA-N 0 3 332.360 0.487 20 5 ECBDHN CN1CCN(c2ccncc2NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000517652559 438973278 /nfs/dbraw/zinc/97/32/78/438973278.db2.gz GNTFOEVQYGVOMU-UHFFFAOYSA-N 0 3 345.363 0.577 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@](O)(CO)C2)c1 ZINC000459652096 438985890 /nfs/dbraw/zinc/98/58/90/438985890.db2.gz QBQQNWBPJIQAQE-UKRRQHHQSA-N 0 3 326.349 0.154 20 5 ECBDHN C[C@@H]1CN(CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCCO1 ZINC000579971063 439053956 /nfs/dbraw/zinc/05/39/56/439053956.db2.gz SLHASODEGJNKIV-LLVKDONJSA-N 0 3 337.380 0.803 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000591918401 439112859 /nfs/dbraw/zinc/11/28/59/439112859.db2.gz QLFWLLIXIJQPOF-LBPRGKRZSA-N 0 3 349.391 0.856 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCN2C1=O ZINC000566573017 439073493 /nfs/dbraw/zinc/07/34/93/439073493.db2.gz UWYFDLYJUOVARJ-VXGBXAGGSA-N 0 3 344.327 0.725 20 5 ECBDHN C[C@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000567605260 439157035 /nfs/dbraw/zinc/15/70/35/439157035.db2.gz KUHNCCNRNQSONB-ZYHUDNBSSA-N 0 3 332.378 0.357 20 5 ECBDHN CN(C)CCc1cn(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)nn1 ZINC000603195220 439208259 /nfs/dbraw/zinc/20/82/59/439208259.db2.gz SPUDXCAAKKOHGG-UHFFFAOYSA-N 0 3 344.375 0.880 20 5 ECBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000568805262 439280020 /nfs/dbraw/zinc/28/00/20/439280020.db2.gz RMFYWWVPCYQSGC-INIZCTEOSA-N 0 3 345.359 0.658 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H]2COc3ccccc3O2)c1 ZINC000581645814 439236074 /nfs/dbraw/zinc/23/60/74/439236074.db2.gz ASSAJBBNFKRYEQ-QWHCGFSZSA-N 0 3 334.332 0.582 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H]2COc3ccccc3O2)c1 ZINC000581645815 439237226 /nfs/dbraw/zinc/23/72/26/439237226.db2.gz ASSAJBBNFKRYEQ-STQMWFEESA-N 0 3 334.332 0.582 20 5 ECBDHN N[C@@H]1C[C@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CCN2C1=O ZINC000568883588 439286792 /nfs/dbraw/zinc/28/67/92/439286792.db2.gz NEHMNZIEGCXLHE-JGVFFNPUSA-N 0 3 345.281 0.757 20 5 ECBDHN CN1C[C@@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000598621292 439289611 /nfs/dbraw/zinc/28/96/11/439289611.db2.gz JHDJUOUYBGINRQ-TXEJJXNPSA-N 0 3 334.380 0.219 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000592882879 439295933 /nfs/dbraw/zinc/29/59/33/439295933.db2.gz ZUCKCTCMSZUNBP-SECBINFHSA-N 0 3 326.378 0.848 20 5 ECBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592881532 439297243 /nfs/dbraw/zinc/29/72/43/439297243.db2.gz SVOOPTYVAQIZFS-NSHDSACASA-N 0 3 335.364 0.490 20 5 ECBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C2(C[NH3+])CCOCC2)c1[N+](=O)[O-] ZINC000599102133 439356549 /nfs/dbraw/zinc/35/65/49/439356549.db2.gz GHMZBOSHVMBZTI-UHFFFAOYSA-N 0 3 343.405 0.998 20 5 ECBDHN CN(C)CCN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000593486090 439387959 /nfs/dbraw/zinc/38/79/59/439387959.db2.gz JYBZEMZOQKVWFI-UHFFFAOYSA-N 0 3 327.772 0.853 20 5 ECBDHN C[C@@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000583020262 439408784 /nfs/dbraw/zinc/40/87/84/439408784.db2.gz QWDCHJGSZZDMQC-JTQLQIEISA-N 0 3 329.378 0.946 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CO)CN2CCCC2)c1 ZINC000571283949 439490028 /nfs/dbraw/zinc/49/00/28/439490028.db2.gz ISNFVXOPGMZGQF-HIFRSBDPSA-N 0 3 339.392 0.381 20 5 ECBDHN O=C1[C@H](N2CCN3C[C@H](O)C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000594025166 439509869 /nfs/dbraw/zinc/50/98/69/439509869.db2.gz CCERTMHSBPCPMW-ARFHVFGLSA-N 0 3 346.387 0.451 20 5 ECBDHN N[C@@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)CCN2C1=O ZINC000594694865 439592500 /nfs/dbraw/zinc/59/25/00/439592500.db2.gz WQDMGBTWPDYMSK-GXFFZTMASA-N 0 3 327.344 0.891 20 5 ECBDHN CC(=O)NCc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000594718278 439595746 /nfs/dbraw/zinc/59/57/46/439595746.db2.gz MZFOBVNYQZWWLY-MRXNPFEDSA-N 0 3 347.375 0.578 20 5 ECBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753762 439602694 /nfs/dbraw/zinc/60/26/94/439602694.db2.gz MXGNOBIABNKWBM-LLVKDONJSA-N 0 3 328.394 0.952 20 5 ECBDHN Cc1c(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000572735846 439607657 /nfs/dbraw/zinc/60/76/57/439607657.db2.gz FWVVGDGEVXOHIQ-OLZOCXBDSA-N 0 3 332.360 0.216 20 5 ECBDHN CN1CCN(C)[C@@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000573597862 439654396 /nfs/dbraw/zinc/65/43/96/439654396.db2.gz WZRBOQNXLRDDRC-GJZGRUSLSA-N 0 3 338.408 0.170 20 5 ECBDHN CCN(CC)CC(=O)N1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595301634 439694620 /nfs/dbraw/zinc/69/46/20/439694620.db2.gz HCAVPBBEMWAAGP-UHFFFAOYSA-N 0 3 339.396 0.877 20 5 ECBDHN Cn1ncc(C(F)(F)F)c1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600744436 439696903 /nfs/dbraw/zinc/69/69/03/439696903.db2.gz FVOFWXILWDGTDN-SECBINFHSA-N 0 3 348.285 0.694 20 5 ECBDHN CC(C)[C@@](C)(NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000289470577 320669018 /nfs/dbraw/zinc/66/90/18/320669018.db2.gz YZLVLGDYIBWWHW-SWLSCSKDSA-N 0 3 325.365 0.824 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CC[NH2+]CC1 ZINC000314885890 320705441 /nfs/dbraw/zinc/70/54/41/320705441.db2.gz ZRWNMRPCCNYUJK-UHFFFAOYSA-N 0 3 329.378 0.881 20 5 ECBDHN CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)NCCN(C)C ZINC000340412535 321041914 /nfs/dbraw/zinc/04/19/14/321041914.db2.gz MEKCMAVAMKXFJM-LBPRGKRZSA-N 0 3 339.396 0.745 20 5 ECBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000344724574 321161387 /nfs/dbraw/zinc/16/13/87/321161387.db2.gz TXVIDKPMGJKSAV-ZDUSSCGKSA-N 0 3 336.392 0.993 20 5 ECBDHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N(C)C ZINC000347245793 321235261 /nfs/dbraw/zinc/23/52/61/321235261.db2.gz IJZSYGSLUBSYFA-QWRGUYRKSA-N 0 3 338.364 0.859 20 5 ECBDHN COC(=O)COc1ccc(CN[C@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000353768461 321413691 /nfs/dbraw/zinc/41/36/91/321413691.db2.gz OCLWQHUQVONOFB-LLVKDONJSA-N 0 3 349.347 0.916 20 5 ECBDHN Cc1c(NC(=O)CCN2CC[C@@H](CO)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000562383068 322272180 /nfs/dbraw/zinc/27/21/80/322272180.db2.gz QDTHGGWMGUITQL-SWLSCSKDSA-N 0 3 337.376 0.907 20 5 ECBDHN CCOC(=O)c1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000564469226 322376696 /nfs/dbraw/zinc/37/66/96/322376696.db2.gz CBEJXXRTKFSBMU-YPMHNXCESA-N 0 3 348.359 0.520 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567754042 322596281 /nfs/dbraw/zinc/59/62/81/322596281.db2.gz PBJFUJOJIXUOCP-GHMZBOCLSA-N 0 3 349.347 0.379 20 5 ECBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569379440 322652630 /nfs/dbraw/zinc/65/26/30/322652630.db2.gz CRUNLXGZNLXEIM-GRYCIOLGSA-N 0 3 347.375 0.166 20 5 ECBDHN C[C@@H]1C[C@@H]1N1C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000573676840 322765837 /nfs/dbraw/zinc/76/58/37/322765837.db2.gz RIZGKOKWNIAQHG-CXTNEJHOSA-N 0 3 349.387 0.933 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576123556 322802056 /nfs/dbraw/zinc/80/20/56/322802056.db2.gz PTDXXSFVUSTDAJ-WDEREUQCSA-N 0 3 349.347 0.379 20 5 ECBDHN Cc1c(NC(=O)[C@@H](C)N2C[C@H](O)[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000577189241 322828154 /nfs/dbraw/zinc/82/81/54/322828154.db2.gz WKPZREUHUYZRBR-UGFHNGPFSA-N 0 3 336.392 0.837 20 5 ECBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000726163895 578138696 /nfs/dbraw/zinc/13/86/96/578138696.db2.gz OQPBYZYLYHBJBR-MNOVXSKESA-N 0 3 349.343 0.917 20 5 ECBDHN CNS(=O)(=O)CCNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000784052955 578748760 /nfs/dbraw/zinc/74/87/60/578748760.db2.gz XHEBKNVMHJQIIG-UHFFFAOYSA-N 0 3 342.421 0.702 20 5 ECBDHN CN1CC[C@@H]2CN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000836847996 588935990 /nfs/dbraw/zinc/93/59/90/588935990.db2.gz HNOKIRATCMEESO-OCCSQVGLSA-N 0 3 333.344 0.949 20 5 ECBDHN Cc1nc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1[C@@H](C)O ZINC000843104750 589050625 /nfs/dbraw/zinc/05/06/25/589050625.db2.gz BCGKQDLLTUMJDP-BXUZGUMPSA-N 0 3 335.364 0.699 20 5 ECBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC[C@@H](O)C2CC2)c1 ZINC000818980838 587463201 /nfs/dbraw/zinc/46/32/01/587463201.db2.gz JOQQBOGKQZPYAA-CYBMUJFWSA-N 0 3 329.378 0.234 20 5 ECBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1=O ZINC000845631671 589165958 /nfs/dbraw/zinc/16/59/58/589165958.db2.gz RYCZZHNZZJWUEM-UHFFFAOYSA-N 0 3 334.336 0.341 20 5 ECBDHN CC([C@@H](OC(=O)CN(C)S(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874722 589173840 /nfs/dbraw/zinc/17/38/40/589173840.db2.gz JVTHRAWIXMITKG-TVQRCGJNSA-N 0 3 348.352 0.967 20 5 ECBDHN Nc1nccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000847487791 589251057 /nfs/dbraw/zinc/25/10/57/589251057.db2.gz LAPXORCMQOAONE-LBPRGKRZSA-N 0 3 349.391 0.945 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@]12COCCN1C(=O)COC2 ZINC000873149417 590185362 /nfs/dbraw/zinc/18/53/62/590185362.db2.gz OPMVHQIGTLRNEF-KRWDZBQOSA-N 0 3 349.387 0.929 20 5 ECBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000876472945 590378643 /nfs/dbraw/zinc/37/86/43/590378643.db2.gz KVURGCXSAXGSKB-HNNXBMFYSA-N 0 3 338.364 0.409 20 5 ECBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000876472946 590378680 /nfs/dbraw/zinc/37/86/80/590378680.db2.gz KVURGCXSAXGSKB-OAHLLOKOSA-N 0 3 338.364 0.409 20 5 ECBDHN C[C@@H]1[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCN1C ZINC000925334152 611470957 /nfs/dbraw/zinc/47/09/57/611470957.db2.gz AONHDPALJHRBLU-OLZOCXBDSA-N 0 3 348.407 0.914 20 5 ECBDHN CN(C)CCN(CCc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000918625357 610012688 /nfs/dbraw/zinc/01/26/88/610012688.db2.gz QMSYFLIBRWCESC-UHFFFAOYSA-N 0 3 346.391 0.819 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)c2cnon2)CC1 ZINC000940387875 610274816 /nfs/dbraw/zinc/27/48/16/610274816.db2.gz OSKBTEROWCTYRN-UHFFFAOYSA-N 0 3 349.351 0.496 20 5 ECBDHN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn2cncc2c1 ZINC000974114521 740955591 /nfs/dbraw/zinc/95/55/91/740955591.db2.gz IEHPGANEKHUWTN-ZMJPVWNMSA-N 0 3 343.343 0.377 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2cncnc2)C1 ZINC000983529351 743360449 /nfs/dbraw/zinc/36/04/49/743360449.db2.gz QRNSMXRIJMOSNH-UMSPYCQHSA-N 0 3 345.363 0.417 20 5 ECBDHN CCCc1nnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001022063957 758227868 /nfs/dbraw/zinc/22/78/68/758227868.db2.gz QQRQFYFNPRVDOZ-LMLFDSFASA-N 0 3 339.421 0.893 20 5 ECBDHN Cn1ncnc1CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525581 760662642 /nfs/dbraw/zinc/66/26/42/760662642.db2.gz YOCMMMRXGDNUQO-XVIXHAIJSA-N 0 3 348.407 0.340 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)CC(C)(C)O)CC1 ZINC000991888895 764364332 /nfs/dbraw/zinc/36/43/32/764364332.db2.gz IEJIECIFAXJWQE-UHFFFAOYSA-N 0 3 339.396 0.570 20 5 ECBDHN O=C(NCC1CN(CCOc2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031660806 766375380 /nfs/dbraw/zinc/37/53/80/766375380.db2.gz SIROIOVTKZPPQZ-HUUCEWRRSA-N 0 3 337.351 0.918 20 5 ECBDHN Cn1oc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)cc1=O ZINC001020108213 772167151 /nfs/dbraw/zinc/16/71/51/772167151.db2.gz VGCOUWXGVVOXEF-HAQNSBGRSA-N 0 3 346.343 0.937 20 5 ECBDHN CC(=O)NCCCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079151929 780818216 /nfs/dbraw/zinc/81/82/16/780818216.db2.gz OJFUEHYCPOMLEM-ZIAGYGMSSA-N 0 3 326.397 0.102 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(N(C)C)CCSC2)n1 ZINC000427634257 210211004 /nfs/dbraw/zinc/21/10/04/210211004.db2.gz RESUAGNRCYNUQG-CYBMUJFWSA-N 0 3 327.410 0.978 20 5 ECBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000183336522 529799370 /nfs/dbraw/zinc/79/93/70/529799370.db2.gz SRFOBRFXVKUCTM-TZMCWYRMSA-N 0 3 336.396 0.917 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)n1 ZINC000427383871 210195526 /nfs/dbraw/zinc/19/55/26/210195526.db2.gz LPEHCNWMZUMPPS-UHFFFAOYSA-N 0 3 348.363 0.787 20 5 ECBDHN CN(C)CCOc1cc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000179474834 233075389 /nfs/dbraw/zinc/07/53/89/233075389.db2.gz SJKYITQFMREGHF-UHFFFAOYSA-N 0 3 348.363 0.443 20 5 ECBDHN CS(=O)(=O)c1cc(C(=O)N[C@H](CN)C2CC2)cc([N+](=O)[O-])c1 ZINC000237424708 242633797 /nfs/dbraw/zinc/63/37/97/242633797.db2.gz BAOJJLRRUUAZBD-GFCCVEGCSA-N 0 3 327.362 0.465 20 5 ECBDHN Cc1nn(CCC(=O)NC[C@@](C)(O)CN(C)C)c(C)c1[N+](=O)[O-] ZINC000153193711 224071753 /nfs/dbraw/zinc/07/17/53/224071753.db2.gz DBOGSGPCIACFBB-CQSZACIVSA-N 0 3 327.385 0.227 20 5 ECBDHN COc1cc(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)ccc1[N+](=O)[O-] ZINC000420470266 209373740 /nfs/dbraw/zinc/37/37/40/209373740.db2.gz WPSAGCOJNWLPLO-MRVPVSSYSA-N 0 3 339.320 0.864 20 5 ECBDHN NC[C@@H](NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000419343833 209065014 /nfs/dbraw/zinc/06/50/14/209065014.db2.gz DNVTUGMNBOICSL-OAHLLOKOSA-N 0 3 348.403 0.887 20 5 ECBDHN Cc1ccc(S(=O)(=O)N2CCO[C@@H](CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000116900889 292176425 /nfs/dbraw/zinc/17/64/25/292176425.db2.gz IFPVXWRTDGRPEV-LBPRGKRZSA-N 0 3 343.405 0.854 20 5 ECBDHN O=C(C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1)N1CCOCC1 ZINC000176195054 164888619 /nfs/dbraw/zinc/88/86/19/164888619.db2.gz FEZMFQOAQAKENT-UHFFFAOYSA-N 0 3 337.380 0.362 20 5 ECBDHN COCCNCCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000262295866 165323553 /nfs/dbraw/zinc/32/35/53/165323553.db2.gz NTXSSTAFQXMNGF-UHFFFAOYSA-N 0 3 333.366 0.118 20 5 ECBDHN COc1cc(OCC(=O)NC[C@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000269963964 263215294 /nfs/dbraw/zinc/21/52/94/263215294.db2.gz YISVZJGHBGCDNU-HNNXBMFYSA-N 0 3 341.364 0.411 20 5 ECBDHN CS[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1N(C)C ZINC000270547060 263250562 /nfs/dbraw/zinc/25/05/62/263250562.db2.gz YXAUKDKOSRDUTL-MNOVXSKESA-N 0 3 327.410 0.604 20 5 ECBDHN CS[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1N(C)C ZINC000270547062 263250584 /nfs/dbraw/zinc/25/05/84/263250584.db2.gz YXAUKDKOSRDUTL-QWRGUYRKSA-N 0 3 327.410 0.604 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](NC(N)=O)C1 ZINC000270693084 263263191 /nfs/dbraw/zinc/26/31/91/263263191.db2.gz WOPMWXQKBOGYGZ-LLVKDONJSA-N 0 3 335.364 0.974 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1CCOc1ccccc1[N+](=O)[O-] ZINC000282946176 264071544 /nfs/dbraw/zinc/07/15/44/264071544.db2.gz HPWPETISHOUHTG-SECBINFHSA-N 0 3 329.334 0.381 20 5 ECBDHN C[C@H](NCCOCCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284944048 264260028 /nfs/dbraw/zinc/26/00/28/264260028.db2.gz DYLZAZHUYDQXEQ-JTQLQIEISA-N 0 3 331.394 0.889 20 5 ECBDHN CN1CC[C@@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285105574 264278997 /nfs/dbraw/zinc/27/89/97/264278997.db2.gz UKTUWUSOQWGHBI-CABCVRRESA-N 0 3 334.376 0.938 20 5 ECBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286093474 264369702 /nfs/dbraw/zinc/36/97/02/264369702.db2.gz SXMPAEZYRGTOAN-UKRRQHHQSA-N 0 3 336.392 0.552 20 5 ECBDHN COCCN(CCO)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298039346 265217857 /nfs/dbraw/zinc/21/78/57/265217857.db2.gz GNOOCIDNSZNWQB-UHFFFAOYSA-N 0 3 341.364 0.873 20 5 ECBDHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000189376947 437596898 /nfs/dbraw/zinc/59/68/98/437596898.db2.gz NTMRUEUXXGSNSG-ZDUSSCGKSA-N 0 3 336.392 0.922 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCO)[C@@H]1CCCSC1 ZINC000433189793 280394671 /nfs/dbraw/zinc/39/46/71/280394671.db2.gz DQNPIMVBCWDUFQ-CYBMUJFWSA-N 0 3 327.406 0.946 20 5 ECBDHN CCN1CCN([C@@H]2CCN(C(=O)c3[nH]nc(C)c3[N+](=O)[O-])C2)CC1 ZINC000332103956 297002131 /nfs/dbraw/zinc/00/21/31/297002131.db2.gz DUFBUIIUPXKMHL-GFCCVEGCSA-N 0 3 336.396 0.478 20 5 ECBDHN CCN1CCN([C@@H]2CCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2)CC1 ZINC000332103956 297002134 /nfs/dbraw/zinc/00/21/34/297002134.db2.gz DUFBUIIUPXKMHL-GFCCVEGCSA-N 0 3 336.396 0.478 20 5 ECBDHN CN(C)S(=O)(=O)N1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000342240650 297724684 /nfs/dbraw/zinc/72/46/84/297724684.db2.gz VLSMAMIABZBDQX-ZDUSSCGKSA-N 0 3 342.421 0.955 20 5 ECBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000346224429 298240389 /nfs/dbraw/zinc/24/03/89/298240389.db2.gz NUEKVAJRYFKQRQ-JTQLQIEISA-N 0 3 348.359 0.928 20 5 ECBDHN O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[n-]1 ZINC000354519495 299063276 /nfs/dbraw/zinc/06/32/76/299063276.db2.gz FRFGBNJXVHEGOF-QWHCGFSZSA-N 0 3 345.359 0.683 20 5 ECBDHN O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[n-]1 ZINC000354519495 299063278 /nfs/dbraw/zinc/06/32/78/299063278.db2.gz FRFGBNJXVHEGOF-QWHCGFSZSA-N 0 3 345.359 0.683 20 5 ECBDHN Cc1cc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c(C)cc1[N+](=O)[O-] ZINC000416445294 301462702 /nfs/dbraw/zinc/46/27/02/301462702.db2.gz KUURSKAGKBIKRW-CQSZACIVSA-N 0 3 345.421 0.803 20 5 ECBDHN COCCN(C)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041923123 436289493 /nfs/dbraw/zinc/28/94/93/436289493.db2.gz XPLVGPSUSMPIDL-UHFFFAOYSA-N 0 3 338.364 0.618 20 5 ECBDHN O=C(NCC1CC1)[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090517667 436432037 /nfs/dbraw/zinc/43/20/37/436432037.db2.gz YOFFWLBPRAALSV-AWEZNQCLSA-N 0 3 348.403 0.995 20 5 ECBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058122479 436620642 /nfs/dbraw/zinc/62/06/42/436620642.db2.gz ZTFCSMWZNNGDQV-AWEZNQCLSA-N 0 3 344.375 0.967 20 5 ECBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CCN(C)C)CC2)c1 ZINC000194249144 436663362 /nfs/dbraw/zinc/66/33/62/436663362.db2.gz HMPOZTUXTXJDLU-UHFFFAOYSA-N 0 3 336.392 0.923 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](OCCO)C1 ZINC000273349882 436748562 /nfs/dbraw/zinc/74/85/62/436748562.db2.gz PBYSQOJXEIFPGW-UONOGXRCSA-N 0 3 340.376 0.808 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCS[C@@H]3COCC[C@H]32)c1 ZINC000247324932 436792193 /nfs/dbraw/zinc/79/21/93/436792193.db2.gz WLKXVEGLVRZANR-JHJVBQTASA-N 0 3 328.394 0.359 20 5 ECBDHN CCCNC(=O)[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247352845 436793223 /nfs/dbraw/zinc/79/32/23/436793223.db2.gz GVEBHSPSVGEKNH-TZMCWYRMSA-N 0 3 339.396 0.390 20 5 ECBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000274640913 436852928 /nfs/dbraw/zinc/85/29/28/436852928.db2.gz VHBCNEYMVCEQQN-GFCCVEGCSA-N 0 3 335.408 0.933 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275087437 436921821 /nfs/dbraw/zinc/92/18/21/436921821.db2.gz HAASFSAOHHIJBZ-WDEREUQCSA-N 0 3 325.394 0.970 20 5 ECBDHN CS(=O)(=O)C1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCNCC1 ZINC000261970760 436899859 /nfs/dbraw/zinc/89/98/59/436899859.db2.gz DCDURWXOEXQGRB-UHFFFAOYSA-N 0 3 327.362 0.700 20 5 ECBDHN Cc1cc(OCC(=O)NCC2(O)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000280946469 436935497 /nfs/dbraw/zinc/93/54/97/436935497.db2.gz ZSANOVFBLXUGNZ-UHFFFAOYSA-N 0 3 337.376 0.855 20 5 ECBDHN O=C([C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000174814572 437087872 /nfs/dbraw/zinc/08/78/72/437087872.db2.gz AFUMBQGOXYJXIV-CYBMUJFWSA-N 0 3 337.380 0.362 20 5 ECBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3ccnn3CCO)CC2)c1 ZINC000304528707 437159425 /nfs/dbraw/zinc/15/94/25/437159425.db2.gz MNJRZMQSTCRBIF-UHFFFAOYSA-N 0 3 334.380 0.860 20 5 ECBDHN COC(=O)c1cnc(NCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000276534166 437123259 /nfs/dbraw/zinc/12/32/59/437123259.db2.gz IANIUXPQJDFTFC-UHFFFAOYSA-N 0 3 337.380 0.826 20 5 ECBDHN C[C@@H]1CN(CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000277435841 437218975 /nfs/dbraw/zinc/21/89/75/437218975.db2.gz GQVVHJHJHWLQRA-CYBMUJFWSA-N 0 3 339.396 0.799 20 5 ECBDHN COCCN(C)C[C@@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000326754912 437235934 /nfs/dbraw/zinc/23/59/34/437235934.db2.gz MGASNPNLSYGEBC-LLVKDONJSA-N 0 3 337.332 0.130 20 5 ECBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266904466 437263513 /nfs/dbraw/zinc/26/35/13/437263513.db2.gz JHXTUIPZKYQRIP-QWHCGFSZSA-N 0 3 339.396 0.654 20 5 ECBDHN Cc1n[nH]c(C(=O)NCCCN2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278347884 437306197 /nfs/dbraw/zinc/30/61/97/437306197.db2.gz AQORSSKKTWLPGJ-JTQLQIEISA-N 0 3 325.369 0.857 20 5 ECBDHN CC(C)(C)[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000182156177 437339181 /nfs/dbraw/zinc/33/91/81/437339181.db2.gz INAOHBAFDZRONT-ZWNOBZJWSA-N 0 3 325.365 0.824 20 5 ECBDHN CN(CCN(C)C1CC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000184784247 437411620 /nfs/dbraw/zinc/41/16/20/437411620.db2.gz ZTVMVRIHJDQKPB-UHFFFAOYSA-N 0 3 328.394 0.773 20 5 ECBDHN COCCOCCN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289071735 437379380 /nfs/dbraw/zinc/37/93/80/437379380.db2.gz SDFMGHIUZALJKA-CYBMUJFWSA-N 0 3 328.365 0.929 20 5 ECBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000330940442 437653765 /nfs/dbraw/zinc/65/37/65/437653765.db2.gz CLUGQEVQZACQGV-RYUDHWBXSA-N 0 3 338.412 0.990 20 5 ECBDHN CN1CC[C@]2(CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292278570 437675305 /nfs/dbraw/zinc/67/53/05/437675305.db2.gz QRUCVVNWDSFUHN-KRWDZBQOSA-N 0 3 346.387 0.879 20 5 ECBDHN Nc1nc(NC[C@]2(O)CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000355725103 437727454 /nfs/dbraw/zinc/72/74/54/437727454.db2.gz WSXXXMFAMKKVHA-MRXNPFEDSA-N 0 3 344.375 1.016 20 5 ECBDHN C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000356369828 437761475 /nfs/dbraw/zinc/76/14/75/437761475.db2.gz FPLZAOOGLNANIH-NEPJUHHUSA-N 0 3 349.391 0.603 20 5 ECBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@H]1CN ZINC000423649510 437789813 /nfs/dbraw/zinc/78/98/13/437789813.db2.gz PLSRBVFOXNIKAM-ZDUSSCGKSA-N 0 3 334.376 0.545 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424241196 437912760 /nfs/dbraw/zinc/91/27/60/437912760.db2.gz PUIQRZZPRLSODP-UONOGXRCSA-N 0 3 345.359 0.904 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000365682877 437950678 /nfs/dbraw/zinc/95/06/78/437950678.db2.gz WOCORRRPDAMKRU-UKRRQHHQSA-N 0 3 333.348 0.701 20 5 ECBDHN COc1cnccc1N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000358287294 438193320 /nfs/dbraw/zinc/19/33/20/438193320.db2.gz IABXPJKITHRPLY-UHFFFAOYSA-N 0 3 346.347 0.544 20 5 ECBDHN C[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1CN ZINC000418874104 438231075 /nfs/dbraw/zinc/23/10/75/438231075.db2.gz VCAMEUTYFZPNBF-IUODEOHRSA-N 0 3 348.403 0.839 20 5 ECBDHN CN1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000351486279 438268305 /nfs/dbraw/zinc/26/83/05/438268305.db2.gz MSSZVDZHYNZIEB-CHWSQXEVSA-N 0 3 330.348 0.400 20 5 ECBDHN NC[C@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000419043847 438303545 /nfs/dbraw/zinc/30/35/45/438303545.db2.gz SBLQFDXGHNDRAN-AWEZNQCLSA-N 0 3 348.403 0.887 20 5 ECBDHN O=C(CCN1CCN2CCOC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000368816825 438382893 /nfs/dbraw/zinc/38/28/93/438382893.db2.gz LCEWARPIRQNSKC-ZDUSSCGKSA-N 0 3 334.376 0.940 20 5 ECBDHN C[C@H](CO)N1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000368971246 438406050 /nfs/dbraw/zinc/40/60/50/438406050.db2.gz BAPXICPCKGDLRG-CYBMUJFWSA-N 0 3 336.392 0.922 20 5 ECBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1CNCCO1 ZINC000420479681 438410368 /nfs/dbraw/zinc/41/03/68/438410368.db2.gz NJJRQVAXONUURS-GFCCVEGCSA-N 0 3 329.378 0.045 20 5 ECBDHN Cc1ccn(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000370028801 438542457 /nfs/dbraw/zinc/54/24/57/438542457.db2.gz FSLUQLWRVZDQJG-HNNXBMFYSA-N 0 3 334.380 0.994 20 5 ECBDHN O=C(Nc1cnccn1)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000370030534 438542733 /nfs/dbraw/zinc/54/27/33/438542733.db2.gz WTTREQUJIOVLLF-UHFFFAOYSA-N 0 3 345.363 0.932 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1CCO ZINC000452789840 438672582 /nfs/dbraw/zinc/67/25/82/438672582.db2.gz BPPUGQHGSWMSGN-ZDUSSCGKSA-N 0 3 336.392 0.970 20 5 ECBDHN CN(C)CCOC1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548713097 438732345 /nfs/dbraw/zinc/73/23/45/438732345.db2.gz XHRDPWLJJBWLNR-UHFFFAOYSA-N 0 3 337.380 0.755 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860510 438844616 /nfs/dbraw/zinc/84/46/16/438844616.db2.gz GQLATMNAEPZCRC-KBPBESRZSA-N 0 3 335.360 0.641 20 5 ECBDHN CN(CC(C)(C)[NH3+])C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595962871 438902458 /nfs/dbraw/zinc/90/24/58/438902458.db2.gz WIAILWSBJMAUMG-UHFFFAOYSA-N 0 3 344.393 0.069 20 5 ECBDHN COc1ccc(NC(=O)C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590279224 438906580 /nfs/dbraw/zinc/90/65/80/438906580.db2.gz ANJXTRRGJPZLPF-MFKMUULPSA-N 0 3 348.359 0.704 20 5 ECBDHN CC(C)NC(=O)[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595850812 438871430 /nfs/dbraw/zinc/87/14/30/438871430.db2.gz POUKIECFXJKBEJ-JSGCOSHPSA-N 0 3 339.396 0.389 20 5 ECBDHN CCOc1cc(C(=O)N[C@@H](CO)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000590369809 438915078 /nfs/dbraw/zinc/91/50/78/438915078.db2.gz NYLHLKIDBLWYGB-SNVBAGLBSA-N 0 3 341.364 0.654 20 5 ECBDHN CN([C@@H](CN)C(F)(F)F)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000596051075 438918442 /nfs/dbraw/zinc/91/84/42/438918442.db2.gz LLHTZJGINVBWAY-ZETCQYMHSA-N 0 3 328.272 0.500 20 5 ECBDHN Cn1c2cc([N+](=O)[O-])c(N3C[C@H]4CCN(C)[C@H]4C3)cc2n(C)c1=O ZINC000590720092 438952088 /nfs/dbraw/zinc/95/20/88/438952088.db2.gz CHXMJEQGLWKKTD-BMIGLBTASA-N 0 3 331.376 0.926 20 5 ECBDHN CN(C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000578803980 438956484 /nfs/dbraw/zinc/95/64/84/438956484.db2.gz FBZZTVJUIFGVTG-OAHLLOKOSA-N 0 3 335.408 0.567 20 5 ECBDHN C[C@@]1(F)CNCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000601981765 438995607 /nfs/dbraw/zinc/99/56/07/438995607.db2.gz XFSKYGIXTXEKHM-CQSZACIVSA-N 0 3 340.359 0.359 20 5 ECBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000591328944 439003929 /nfs/dbraw/zinc/00/39/29/439003929.db2.gz JNFPZRJAMCYATO-JTQLQIEISA-N 0 3 329.378 0.833 20 5 ECBDHN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000602485778 439098297 /nfs/dbraw/zinc/09/82/97/439098297.db2.gz ZKVKOHCKOBIWBB-HIFRSBDPSA-N 0 3 336.440 0.786 20 5 ECBDHN CNc1nccc(C(=O)NC[C@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000566982142 439103113 /nfs/dbraw/zinc/10/31/13/439103113.db2.gz CTXXWZKZMCDQHH-CQSZACIVSA-N 0 3 339.421 1.199 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000591904892 439108018 /nfs/dbraw/zinc/10/80/18/439108018.db2.gz KEHXXXFMZWGBQM-LBPRGKRZSA-N 0 3 349.391 0.856 20 5 ECBDHN Cc1cccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)c1[N+](=O)[O-] ZINC000567109129 439114289 /nfs/dbraw/zinc/11/42/89/439114289.db2.gz VEVKJSPMOPHXGL-UHFFFAOYSA-N 0 3 331.336 0.683 20 5 ECBDHN COc1cccc2c1OC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000591733840 439078049 /nfs/dbraw/zinc/07/80/49/439078049.db2.gz RQVQXNWWCKVBLF-TZMCWYRMSA-N 0 3 348.359 0.754 20 5 ECBDHN CN1C[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[C@H](c2ccccc2)C1 ZINC000591987492 439126089 /nfs/dbraw/zinc/12/60/89/439126089.db2.gz YEZGMJHHEPOCCK-OLZOCXBDSA-N 0 3 328.376 1.146 20 5 ECBDHN CN(CCCN(C)C(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccncc1 ZINC000568043458 439208202 /nfs/dbraw/zinc/20/82/02/439208202.db2.gz JSCKUYCRALIOJB-UHFFFAOYSA-N 0 3 347.379 0.562 20 5 ECBDHN Cc1cc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000568389117 439243756 /nfs/dbraw/zinc/24/37/56/439243756.db2.gz PVPWLJRDQOOSLK-UHFFFAOYSA-N 0 3 331.336 0.683 20 5 ECBDHN COCCN(C)C[C@@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000569235240 439315387 /nfs/dbraw/zinc/31/53/87/439315387.db2.gz RXBXPQVWVLZOJR-OAHLLOKOSA-N 0 3 339.392 0.728 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000592881597 439296577 /nfs/dbraw/zinc/29/65/77/439296577.db2.gz UMYSQTFNOAEGLH-LBPRGKRZSA-N 0 3 334.376 0.716 20 5 ECBDHN C[NH2+]CCOCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599106667 439358996 /nfs/dbraw/zinc/35/89/96/439358996.db2.gz GKOVDLUBWKVSPC-UHFFFAOYSA-N 0 3 337.785 0.763 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)CCN2C1=O ZINC000582857047 439391882 /nfs/dbraw/zinc/39/18/82/439391882.db2.gz HLDFLOUOFBPAAS-ZYHUDNBSSA-N 0 3 327.344 0.891 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)n1 ZINC000599242498 439398109 /nfs/dbraw/zinc/39/81/09/439398109.db2.gz WERLXZBNCXDQHR-LLVKDONJSA-N 0 3 343.409 0.435 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)n1 ZINC000599260772 439405137 /nfs/dbraw/zinc/40/51/37/439405137.db2.gz FFLUZIRKAOFPTJ-MNOVXSKESA-N 0 3 343.409 0.433 20 5 ECBDHN CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593560664 439405929 /nfs/dbraw/zinc/40/59/29/439405929.db2.gz UYBRVDKTUOIINK-LBPRGKRZSA-N 0 3 346.409 0.625 20 5 ECBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000593597459 439417926 /nfs/dbraw/zinc/41/79/26/439417926.db2.gz IXNWUTZHEHQHEU-ZDUSSCGKSA-N 0 3 326.378 0.706 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000594023513 439509005 /nfs/dbraw/zinc/50/90/05/439509005.db2.gz MMGNKDCOEUOSAJ-ZNMIVQPWSA-N 0 3 337.376 0.085 20 5 ECBDHN Nc1nccc(C(=O)N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000594216881 439527401 /nfs/dbraw/zinc/52/74/01/439527401.db2.gz XBEGKYQWWAMYAD-UHFFFAOYSA-N 0 3 328.332 0.929 20 5 ECBDHN CN1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609050249 439550768 /nfs/dbraw/zinc/55/07/68/439550768.db2.gz YQLGBCWXHFSBRT-UHFFFAOYSA-N 0 3 348.359 0.484 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000594392388 439554190 /nfs/dbraw/zinc/55/41/90/439554190.db2.gz GGVHVZILDHAOJX-UONOGXRCSA-N 0 3 349.387 0.950 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594736731 439599894 /nfs/dbraw/zinc/59/98/94/439599894.db2.gz QWAQQDNGCPNKRR-UONOGXRCSA-N 0 3 334.376 0.737 20 5 ECBDHN CN(C)C[C@@]1(O)CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000618923342 440179010 /nfs/dbraw/zinc/17/90/10/440179010.db2.gz GIHBKCNEVWLWPN-AWEZNQCLSA-N 0 3 325.369 0.097 20 5 ECBDHN CC(C)[C@@](C)(NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000289334808 320665108 /nfs/dbraw/zinc/66/51/08/320665108.db2.gz LHIWEGMGYHZTDW-IAQYHMDHSA-N 0 3 325.365 0.824 20 5 ECBDHN CS[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1N(C)C ZINC000330502999 320831344 /nfs/dbraw/zinc/83/13/44/320831344.db2.gz YIDAAJKAZGAFKR-VXGBXAGGSA-N 0 3 340.405 0.261 20 5 ECBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1 ZINC000346164745 321217263 /nfs/dbraw/zinc/21/72/63/321217263.db2.gz QAWIUHAFRMWNSM-YDHLFZDLSA-N 0 3 348.403 0.945 20 5 ECBDHN C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N(C)C ZINC000347245794 321235191 /nfs/dbraw/zinc/23/51/91/321235191.db2.gz IJZSYGSLUBSYFA-WDEREUQCSA-N 0 3 338.364 0.859 20 5 ECBDHN C[C@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000353820137 321419017 /nfs/dbraw/zinc/41/90/17/321419017.db2.gz XUKNWQWGJPDKDU-LLVKDONJSA-N 0 3 337.380 0.460 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@]1(O)CN2CCC1CC2 ZINC000560506442 322245854 /nfs/dbraw/zinc/24/58/54/322245854.db2.gz XZLZKMGQIYENAS-MRXNPFEDSA-N 0 3 335.360 0.547 20 5 ECBDHN C[C@H]1OCC[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178683805 534128567 /nfs/dbraw/zinc/12/85/67/534128567.db2.gz JYBPHYLIBLYVAP-ZWNOBZJWSA-N 0 3 329.378 0.640 20 5 ECBDHN CCOC(=O)[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000155113415 528063499 /nfs/dbraw/zinc/06/34/99/528063499.db2.gz JQKQVJWRLITIBM-AAEUAGOBSA-N 0 3 326.353 0.427 20 5 ECBDHN CCOC(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174647016 528642144 /nfs/dbraw/zinc/64/21/44/528642144.db2.gz LHLPQDUIXLKGJL-ZDUSSCGKSA-N 0 3 326.353 0.427 20 5 ECBDHN CC(C)[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236724727 535048051 /nfs/dbraw/zinc/04/80/51/535048051.db2.gz JOPDPKUNRHVVRC-AWEZNQCLSA-N 0 3 334.376 0.863 20 5 ECBDHN C[C@H](NCC1(O)CCS(=O)(=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788827194 578844052 /nfs/dbraw/zinc/84/40/52/578844052.db2.gz JWNFXKLHTDNGCM-JTQLQIEISA-N 0 3 343.405 0.767 20 5 ECBDHN C[C@H](OC(=O)C1CCN(C)C1=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000772505190 579208607 /nfs/dbraw/zinc/20/86/07/579208607.db2.gz BKZMNFRARPDYSY-UWVGGRQHSA-N 0 3 335.316 0.943 20 5 ECBDHN CC(COC(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1)[N+](=O)[O-] ZINC000838963496 586831557 /nfs/dbraw/zinc/83/15/57/586831557.db2.gz BHQFIGBTMZRRPU-UWVGGRQHSA-N 0 3 329.330 0.820 20 5 ECBDHN CC(COC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)[N+](=O)[O-] ZINC000813105347 587248101 /nfs/dbraw/zinc/24/81/01/587248101.db2.gz XSMNAZBKEPUTRS-MWGHHZFTSA-N 0 3 331.394 0.921 20 5 ECBDHN CC(COC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)[N+](=O)[O-] ZINC000813114805 587248833 /nfs/dbraw/zinc/24/88/33/587248833.db2.gz WQKMNCWURAFGDC-PELKAZGASA-N 0 3 338.295 0.454 20 5 ECBDHN O=C(N[C@H](CO)CN1CCCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000840452506 587581600 /nfs/dbraw/zinc/58/16/00/587581600.db2.gz ICBGXZUCEMFARK-ZFWWWQNUSA-N 0 3 337.376 0.591 20 5 ECBDHN COCCN1CCC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825709176 587957061 /nfs/dbraw/zinc/95/70/61/587957061.db2.gz QOYGJRIQIAJXKP-CABCVRRESA-N 0 3 337.376 0.855 20 5 ECBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@]1(O)CCc2ccccc21 ZINC000829338715 588322288 /nfs/dbraw/zinc/32/22/88/588322288.db2.gz YRXQUMVJFHOIRO-RDJZCZTQSA-N 0 3 346.387 0.918 20 5 ECBDHN CN(C)CCN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000844376273 589109768 /nfs/dbraw/zinc/10/97/68/589109768.db2.gz REOIDTJESGEKAJ-OAHLLOKOSA-N 0 3 336.392 0.334 20 5 ECBDHN COC(=O)N(C)CCN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000852573375 589501503 /nfs/dbraw/zinc/50/15/03/589501503.db2.gz KATIHEGJSVXORD-ZDUSSCGKSA-N 0 3 341.364 0.965 20 5 ECBDHN CN1CCC(O)(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000866222476 589730043 /nfs/dbraw/zinc/73/00/43/589730043.db2.gz GAZRLTCCGLKQIC-UHFFFAOYSA-N 0 3 325.340 0.849 20 5 ECBDHN CN1CC[C@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867811070 589847150 /nfs/dbraw/zinc/84/71/50/589847150.db2.gz NLIPJQICVYOOFZ-QWRGUYRKSA-N 0 3 326.378 0.705 20 5 ECBDHN CN1CCC(NC(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)CC1 ZINC000865357381 590141330 /nfs/dbraw/zinc/14/13/30/590141330.db2.gz KRPFWTUVSCRDBX-UHFFFAOYSA-N 0 3 328.756 0.620 20 5 ECBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000876471019 590378431 /nfs/dbraw/zinc/37/84/31/590378431.db2.gz KGMKJQUTEIJKFA-OAHLLOKOSA-N 0 3 340.380 0.353 20 5 ECBDHN CN1CCNC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912000142 609926791 /nfs/dbraw/zinc/92/67/91/609926791.db2.gz AXANHOLUPJSLHF-OAHLLOKOSA-N 0 3 333.392 0.147 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H]3OCCN[C@H]3C2)c1 ZINC000923384541 611236216 /nfs/dbraw/zinc/23/62/16/611236216.db2.gz HDBMURNOPFYFMI-VNQPRFMTSA-N 0 3 337.376 0.397 20 5 ECBDHN CCCN(C)CC(=O)N(CCO)CCNc1ncccc1[N+](=O)[O-] ZINC001111492820 738184777 /nfs/dbraw/zinc/18/47/77/738184777.db2.gz RPNYJGXDSXWSEA-UHFFFAOYSA-N 0 3 339.396 0.564 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2cnon2)CC1 ZINC000997103922 743240993 /nfs/dbraw/zinc/24/09/93/743240993.db2.gz UXOSPOKPOUGWMZ-UHFFFAOYSA-N 0 3 335.324 0.106 20 5 ECBDHN O=C(NCC1CCN(Cc2cc3n(n2)CCC3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001398979 746340639 /nfs/dbraw/zinc/34/06/39/746340639.db2.gz HAJROCITEJUIMB-HZPDHXFCSA-N 0 3 347.419 0.823 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2cnon2)C1 ZINC000984943076 747150618 /nfs/dbraw/zinc/15/06/18/747150618.db2.gz LTEXMIQMDSVPHS-KYZUINATSA-N 0 3 335.324 0.010 20 5 ECBDHN CN(C)c1ccncc1C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011112901 756946176 /nfs/dbraw/zinc/94/61/76/756946176.db2.gz WEUNWRXJPQIVDT-BXUZGUMPSA-N 0 3 347.375 0.097 20 5 ECBDHN COCCn1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)nn1 ZINC001127027200 759580885 /nfs/dbraw/zinc/58/08/85/759580885.db2.gz LOSKYYASRQFSKG-UHFFFAOYSA-N 0 3 348.363 0.352 20 5 ECBDHN CNC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181867497 529901126 /nfs/dbraw/zinc/90/11/26/529901126.db2.gz PLYWAYMVIWOINA-OLZOCXBDSA-N 0 3 337.376 0.793 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000152698549 530055877 /nfs/dbraw/zinc/05/58/77/530055877.db2.gz OHJYGFPAWNUNOX-OAHLLOKOSA-N 0 3 346.387 0.973 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](c2nnc[nH]2)C1 ZINC000425546061 210069607 /nfs/dbraw/zinc/06/96/07/210069607.db2.gz KMRAGTGKISLXDL-NWDGAFQWSA-N 0 3 333.348 0.942 20 5 ECBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000355336081 299240497 /nfs/dbraw/zinc/24/04/97/299240497.db2.gz KDVHNAIJGDKEPH-AWEZNQCLSA-N 0 3 339.396 0.751 20 5 ECBDHN Cc1nc(Sc2nnnn2C[C@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC000450396703 211323208 /nfs/dbraw/zinc/32/32/08/211323208.db2.gz UDQRQIYIMHDAEV-VIFPVBQESA-N 0 3 336.381 0.783 20 5 ECBDHN CN(C)C(=O)[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411950535 208177824 /nfs/dbraw/zinc/17/78/24/208177824.db2.gz WRJLERQURDSRFL-JSGCOSHPSA-N 0 3 337.376 0.745 20 5 ECBDHN O=C(COC1CNC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000429987149 210344998 /nfs/dbraw/zinc/34/49/98/210344998.db2.gz UXHZRHYLAABXEO-UHFFFAOYSA-N 0 3 335.360 0.953 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NCCCN1CCC(O)CC1 ZINC000118722919 221172843 /nfs/dbraw/zinc/17/28/43/221172843.db2.gz NCHAIPCPRJQIHD-UHFFFAOYSA-N 0 3 337.376 0.937 20 5 ECBDHN CN(C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000129172143 296661409 /nfs/dbraw/zinc/66/14/09/296661409.db2.gz IVQTVGMVLLRFPZ-CYBMUJFWSA-N 0 3 332.364 0.475 20 5 ECBDHN CN1CCC(O)(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272326738 296765261 /nfs/dbraw/zinc/76/52/61/296765261.db2.gz LQCGPCAGLIHOEC-UHFFFAOYSA-N 0 3 337.332 0.510 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC[NH2+]C[C@@H]1C ZINC000262737738 165379094 /nfs/dbraw/zinc/37/90/94/165379094.db2.gz AZKJKXAMKQZBCL-ONGXEEELSA-N 0 3 329.378 0.880 20 5 ECBDHN CCN1CCN(CCNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269469081 263184178 /nfs/dbraw/zinc/18/41/78/263184178.db2.gz UFBXATQSRWPRSV-UHFFFAOYSA-N 0 3 338.412 0.809 20 5 ECBDHN C[C@H]1CN(CCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270843454 263278155 /nfs/dbraw/zinc/27/81/55/263278155.db2.gz WDKZPQCAOYVPJU-RYUDHWBXSA-N 0 3 339.396 0.948 20 5 ECBDHN C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C)CN1 ZINC000272555012 263352057 /nfs/dbraw/zinc/35/20/57/263352057.db2.gz LCTVYJNYSFDHMR-MNOVXSKESA-N 0 3 330.348 0.998 20 5 ECBDHN CCN(CCOCCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281959205 264000838 /nfs/dbraw/zinc/00/08/38/264000838.db2.gz GAFUDUOWGIDIJX-CYBMUJFWSA-N 0 3 328.365 0.665 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295151478 265047702 /nfs/dbraw/zinc/04/77/02/265047702.db2.gz CDUGPRQNVGXGDW-INIZCTEOSA-N 0 3 337.376 0.987 20 5 ECBDHN CCCc1n[nH]c(C(=O)NC[C@](C)(O)CCN(C)C)c1[N+](=O)[O-] ZINC000352099347 298885896 /nfs/dbraw/zinc/88/58/96/298885896.db2.gz WQYXJTMZZMODFW-CQSZACIVSA-N 0 3 327.385 0.703 20 5 ECBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN([C@H]4COC[C@H]4O)CC3)nc2c1 ZINC000361333420 300083726 /nfs/dbraw/zinc/08/37/26/300083726.db2.gz AEAREVXTEHRDSZ-LSDHHAIUSA-N 0 3 347.375 0.743 20 5 ECBDHN NC(=O)c1ccc(CN[C@H]2CCC(=O)N[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000375356088 301169853 /nfs/dbraw/zinc/16/98/53/301169853.db2.gz QDZBLSKKBMHMLQ-SWLSCSKDSA-N 0 3 332.360 0.841 20 5 ECBDHN O=C1CCCN1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075717413 436172774 /nfs/dbraw/zinc/17/27/74/436172774.db2.gz AEGMAQJKVLNVEV-AWEZNQCLSA-N 0 3 337.380 0.239 20 5 ECBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000514799987 301618941 /nfs/dbraw/zinc/61/89/41/301618941.db2.gz ZQSCRSYXRRBLER-DDTOSNHZSA-N 0 3 347.375 0.166 20 5 ECBDHN COC[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000090015296 436427962 /nfs/dbraw/zinc/42/79/62/436427962.db2.gz JAIOZTHNVSJKAN-GFCCVEGCSA-N 0 3 343.405 0.888 20 5 ECBDHN Cc1c(NC(=O)CCN(CCO)CCCO)cccc1[N+](=O)[O-] ZINC000109798842 436626923 /nfs/dbraw/zinc/62/69/23/436626923.db2.gz SXEMDBFCWLVOKU-UHFFFAOYSA-N 0 3 325.365 0.909 20 5 ECBDHN CN(C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1=O ZINC000534516599 302110208 /nfs/dbraw/zinc/11/02/08/302110208.db2.gz LSRLQLOMEBXDKW-UHFFFAOYSA-N 0 3 331.332 0.965 20 5 ECBDHN CN1CCN([C@H]2CCCCN(CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000120049108 436677543 /nfs/dbraw/zinc/67/75/43/436677543.db2.gz IZSILPLODKCVNQ-HNNXBMFYSA-N 0 3 336.440 0.893 20 5 ECBDHN CS[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1N1CCCC1 ZINC000273477956 436757919 /nfs/dbraw/zinc/75/79/19/436757919.db2.gz IFWXYZHJUIXNSI-NEPJUHHUSA-N 0 3 339.421 0.830 20 5 ECBDHN CCN1CCC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000249698770 436825969 /nfs/dbraw/zinc/82/59/69/436825969.db2.gz WJJOCEWNZBWYRZ-CQSZACIVSA-N 0 3 334.376 0.925 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275087431 436921015 /nfs/dbraw/zinc/92/10/15/436921015.db2.gz HAASFSAOHHIJBZ-GHMZBOCLSA-N 0 3 325.394 0.970 20 5 ECBDHN CN1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000162534150 436909007 /nfs/dbraw/zinc/90/90/07/436909007.db2.gz JEBZYRDJAWEXOP-HNNXBMFYSA-N 0 3 335.408 0.888 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@]2(CO)CCc3ccccc32)c1 ZINC000136186756 436929152 /nfs/dbraw/zinc/92/91/52/436929152.db2.gz IVOFMJQJRTVFLH-GDBMZVCRSA-N 0 3 332.360 0.576 20 5 ECBDHN CN(CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000299282602 437065045 /nfs/dbraw/zinc/06/50/45/437065045.db2.gz UALXTOMIFWQQOO-UHFFFAOYSA-N 0 3 334.376 0.925 20 5 ECBDHN O=C(CNC1(CO)CCOCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000264760782 437079450 /nfs/dbraw/zinc/07/94/50/437079450.db2.gz YTPWEGKMYYBGIF-UHFFFAOYSA-N 0 3 335.360 0.615 20 5 ECBDHN C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1CC(C)(C)O ZINC000302464404 437144168 /nfs/dbraw/zinc/14/41/68/437144168.db2.gz AXODILOZWJXBGJ-NSHDSACASA-N 0 3 334.380 0.919 20 5 ECBDHN CN1CCO[C@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000331884027 437175630 /nfs/dbraw/zinc/17/56/30/437175630.db2.gz FKWLNIYHOSYNGB-CABCVRRESA-N 0 3 334.376 0.938 20 5 ECBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000316997899 437191052 /nfs/dbraw/zinc/19/10/52/437191052.db2.gz LSHYYKRMAVBQQS-NSHDSACASA-N 0 3 328.394 0.167 20 5 ECBDHN COCCNCCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000179379285 437262819 /nfs/dbraw/zinc/26/28/19/437262819.db2.gz YYMCWXSRNYBPBL-UHFFFAOYSA-N 0 3 331.394 0.726 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CO)CN1CCCCC1 ZINC000288141361 437283747 /nfs/dbraw/zinc/28/37/47/437283747.db2.gz BMLTZYUUJLFLPY-CYBMUJFWSA-N 0 3 339.396 0.453 20 5 ECBDHN COc1ccc(C(=O)NCC(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000267152397 437297848 /nfs/dbraw/zinc/29/78/48/437297848.db2.gz WXBMEHAHMXZOSP-UHFFFAOYSA-N 0 3 338.364 0.353 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CO)[C@H]1CCCO1 ZINC000447913784 304809320 /nfs/dbraw/zinc/80/93/20/304809320.db2.gz NKIVVNBMFYSIOB-YRGRVCCFSA-N 0 3 326.349 0.464 20 5 ECBDHN CN1CCN(C[C@H]2CCCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000361813261 437688763 /nfs/dbraw/zinc/68/87/63/437688763.db2.gz JICVJAUMOYQLIX-GFCCVEGCSA-N 0 3 335.412 0.431 20 5 ECBDHN C[C@@H](CN)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415665209 437838240 /nfs/dbraw/zinc/83/82/40/437838240.db2.gz XTGZJVNKWNQQDH-LURJTMIESA-N 0 3 345.153 0.759 20 5 ECBDHN Cn1cc([C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]2N)cn1 ZINC000424249556 437913074 /nfs/dbraw/zinc/91/30/74/437913074.db2.gz YFPRWWHRRQUSGC-LSDHHAIUSA-N 0 3 345.359 0.660 20 5 ECBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357922500 438098919 /nfs/dbraw/zinc/09/89/19/438098919.db2.gz GYSKWZQHAQHZCY-UHFFFAOYSA-N 0 3 332.364 0.927 20 5 ECBDHN CN1CC=C(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000342792707 438066507 /nfs/dbraw/zinc/06/65/07/438066507.db2.gz URHWFPRFLQKNGD-UHFFFAOYSA-N 0 3 326.378 0.916 20 5 ECBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]1CN1CCC[C@H]1CO ZINC000373306015 438142991 /nfs/dbraw/zinc/14/29/91/438142991.db2.gz SXCYIIVNEVJCCF-STQMWFEESA-N 0 3 349.391 0.865 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](Oc3ccncc3)C2)c1 ZINC000431172285 438148031 /nfs/dbraw/zinc/14/80/31/438148031.db2.gz WOCORRRPDAMKRU-HIFRSBDPSA-N 0 3 333.348 0.701 20 5 ECBDHN COc1cc(CNC[C@@]2(O)CCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000358164960 438172972 /nfs/dbraw/zinc/17/29/72/438172972.db2.gz NTRSQMUZVPIWMO-HNNXBMFYSA-N 0 3 325.365 0.768 20 5 ECBDHN CN1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 ZINC000351486282 438267672 /nfs/dbraw/zinc/26/76/72/438267672.db2.gz MSSZVDZHYNZIEB-STQMWFEESA-N 0 3 330.348 0.400 20 5 ECBDHN O=C1NC[C@@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000368073462 438284078 /nfs/dbraw/zinc/28/40/78/438284078.db2.gz ZYAWYDNVDXHFGH-JHJVBQTASA-N 0 3 335.360 0.402 20 5 ECBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418924021 438251187 /nfs/dbraw/zinc/25/11/87/438251187.db2.gz OEMGNGIRHDTYRM-ZDUSSCGKSA-N 0 3 336.392 0.743 20 5 ECBDHN Nc1nccc([C@@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000368455288 438331049 /nfs/dbraw/zinc/33/10/49/438331049.db2.gz OCHMDPOAUSZNAI-DGCLKSJQSA-N 0 3 347.379 0.404 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368191833 438299210 /nfs/dbraw/zinc/29/92/10/438299210.db2.gz CJHVMDAZNATRKK-DLOVCJGASA-N 0 3 338.339 0.529 20 5 ECBDHN O=C(CCN1CCN2CCOC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368328354 438316954 /nfs/dbraw/zinc/31/69/54/438316954.db2.gz PBNCXZRVXKCCNG-OAHLLOKOSA-N 0 3 334.376 0.940 20 5 ECBDHN CN1CC[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000368594793 438352904 /nfs/dbraw/zinc/35/29/04/438352904.db2.gz XLNWTCBSQZWYRE-SWLSCSKDSA-N 0 3 346.387 0.877 20 5 ECBDHN CN(C)CC[C@](C)(O)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000352104356 438383872 /nfs/dbraw/zinc/38/38/72/438383872.db2.gz DRNBETJSWLPSRF-HNNXBMFYSA-N 0 3 325.365 0.793 20 5 ECBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1C ZINC000390869428 438435808 /nfs/dbraw/zinc/43/58/08/438435808.db2.gz QSIGDDWZKDGQPQ-CYBMUJFWSA-N 0 3 342.421 0.475 20 5 ECBDHN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420451773 438409004 /nfs/dbraw/zinc/40/90/04/438409004.db2.gz ZSZKGQRZUGRAIX-VIFPVBQESA-N 0 3 345.377 0.772 20 5 ECBDHN CN(C[C@H]1CCCN1C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000422018419 438511277 /nfs/dbraw/zinc/51/12/77/438511277.db2.gz JFNCSSNQKKLFCE-CQSZACIVSA-N 0 3 334.376 0.877 20 5 ECBDHN CCO[C@@H]1COC[C@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451949296 438619839 /nfs/dbraw/zinc/61/98/39/438619839.db2.gz WNVWCZMCNBOMGE-LALPHHSUSA-N 0 3 326.349 0.728 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2C[C@H](C)NC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000423511502 438681694 /nfs/dbraw/zinc/68/16/94/438681694.db2.gz TXHSNCQUEHDBHD-RYUDHWBXSA-N 0 3 334.376 0.842 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCNCC3)cn2)n1 ZINC000577055068 438810284 /nfs/dbraw/zinc/81/02/84/438810284.db2.gz SQLLSGBYQNBDRW-UHFFFAOYSA-N 0 3 345.363 0.868 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](Cn2ccnn2)C1 ZINC000595608412 438833690 /nfs/dbraw/zinc/83/36/90/438833690.db2.gz PGPQHHXDPDWIKS-KBPBESRZSA-N 0 3 347.375 0.948 20 5 ECBDHN COC(=O)[C@@H]1OCC[C@@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595659566 438841056 /nfs/dbraw/zinc/84/10/56/438841056.db2.gz NUNAHVBXHZNYSO-SMDDNHRTSA-N 0 3 337.332 0.844 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000588866691 438846204 /nfs/dbraw/zinc/84/62/04/438846204.db2.gz PWLFEVKGPGMPES-LBPRGKRZSA-N 0 3 333.348 0.433 20 5 ECBDHN CCOc1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000595991893 438911001 /nfs/dbraw/zinc/91/10/01/438911001.db2.gz UHNUXPBRYQSWGW-UHFFFAOYSA-N 0 3 347.331 0.878 20 5 ECBDHN CN1CC[C@@H]2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590582790 438934567 /nfs/dbraw/zinc/93/45/67/438934567.db2.gz UQYKOEONBZNNIH-MFKMUULPSA-N 0 3 340.405 0.773 20 5 ECBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(N2CCCOCC2)CC1 ZINC000596267902 438947914 /nfs/dbraw/zinc/94/79/14/438947914.db2.gz CBOBYTXPMDNHKP-UHFFFAOYSA-N 0 3 349.391 0.780 20 5 ECBDHN CN(C[C@@H]1CCCN1C)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596279116 438950189 /nfs/dbraw/zinc/95/01/89/438950189.db2.gz PPGOVNIHNYQLSH-NSHDSACASA-N 0 3 328.394 0.773 20 5 ECBDHN O=C1C[C@@H](N2C[C@@H]3COC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000601909555 438988589 /nfs/dbraw/zinc/98/85/89/438988589.db2.gz FQMIVHBBOCPNHW-UHIISALHSA-N 0 3 331.328 0.805 20 5 ECBDHN CN1Cc2ccccc2[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591757252 439081976 /nfs/dbraw/zinc/08/19/76/439081976.db2.gz DYXJARLOVCQUIM-GDBMZVCRSA-N 0 3 331.376 0.929 20 5 ECBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@H]1C ZINC000567690460 439166441 /nfs/dbraw/zinc/16/64/41/439166441.db2.gz BRGHSGXCNFSQPV-MBNYWOFBSA-N 0 3 339.396 0.531 20 5 ECBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1NCCc2ccccc21 ZINC000522061007 439142292 /nfs/dbraw/zinc/14/22/92/439142292.db2.gz PXJWCOAPUIBVRT-CQSZACIVSA-N 0 3 342.355 0.760 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000597654244 439150095 /nfs/dbraw/zinc/15/00/95/439150095.db2.gz QRDPEWWDLWHFAR-NSHDSACASA-N 0 3 348.359 0.561 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(N3CCNCC3)n[nH]2)c1 ZINC000592303227 439196962 /nfs/dbraw/zinc/19/69/62/439196962.db2.gz KPVMOLQCTGSJGC-UHFFFAOYSA-N 0 3 331.336 0.683 20 5 ECBDHN COC[C@@H]1C[C@@H](O)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593060585 439335769 /nfs/dbraw/zinc/33/57/69/439335769.db2.gz CPLUGDNJBSBCOO-BFHYXJOUSA-N 0 3 326.349 0.416 20 5 ECBDHN CCc1n[nH]c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592872986 439293113 /nfs/dbraw/zinc/29/31/13/439293113.db2.gz NVOZKKXZVDDNQG-VIFPVBQESA-N 0 3 338.368 0.072 20 5 ECBDHN CCc1[nH]nc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592872986 439293115 /nfs/dbraw/zinc/29/31/15/439293115.db2.gz NVOZKKXZVDDNQG-VIFPVBQESA-N 0 3 338.368 0.072 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000592874594 439295095 /nfs/dbraw/zinc/29/50/95/439295095.db2.gz TZLWVKGNDUSGEY-SNVBAGLBSA-N 0 3 338.339 0.926 20 5 ECBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000604266166 439305173 /nfs/dbraw/zinc/30/51/73/439305173.db2.gz VORDCWACRNXQNX-CYBMUJFWSA-N 0 3 337.424 0.937 20 5 ECBDHN CN1CCN(C[C@H](O)CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000569475886 439338451 /nfs/dbraw/zinc/33/84/51/439338451.db2.gz NUAUMWDLCURQTD-CYBMUJFWSA-N 0 3 348.407 0.169 20 5 ECBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCOCCC[NH3+])c1[N+](=O)[O-] ZINC000599110184 439361409 /nfs/dbraw/zinc/36/14/09/439361409.db2.gz JJXQJKJOLPNMOM-UHFFFAOYSA-N 0 3 331.394 0.855 20 5 ECBDHN Cc1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000569710157 439357112 /nfs/dbraw/zinc/35/71/12/439357112.db2.gz OOYSFTSGKQEJKW-VXGBXAGGSA-N 0 3 333.348 0.679 20 5 ECBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1CNCCO1 ZINC000570835704 439455000 /nfs/dbraw/zinc/45/50/00/439455000.db2.gz UEYSASDRWPHGKI-LLVKDONJSA-N 0 3 337.332 0.013 20 5 ECBDHN Cc1c(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000583511820 439475772 /nfs/dbraw/zinc/47/57/72/439475772.db2.gz ZFGYGCAHMWSSFC-CHWSQXEVSA-N 0 3 347.375 0.357 20 5 ECBDHN N[C@H]1C[C@@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000571344928 439495914 /nfs/dbraw/zinc/49/59/14/439495914.db2.gz XWEWYTGCMWZQNA-NEPJUHHUSA-N 0 3 338.751 0.632 20 5 ECBDHN C[C@@H]1CN(CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])CCCO1 ZINC000583730416 439503487 /nfs/dbraw/zinc/50/34/87/439503487.db2.gz WLXMITLTFJEHIC-LLVKDONJSA-N 0 3 325.369 0.559 20 5 ECBDHN CNc1nc(C(=O)NC[C@@]2(O)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000583390710 439459188 /nfs/dbraw/zinc/45/91/88/439459188.db2.gz ZBHKZKRFKWAHOU-OAHLLOKOSA-N 0 3 335.364 0.218 20 5 ECBDHN CCN(CCN)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599917957 439575683 /nfs/dbraw/zinc/57/56/83/439575683.db2.gz LPGHBCBAPPQXER-UHFFFAOYSA-N 0 3 344.393 0.359 20 5 ECBDHN COC(=O)c1cc(N2CCN3C[C@H](O)C[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000594603056 439580901 /nfs/dbraw/zinc/58/09/01/439580901.db2.gz HQODNYNUELNRFM-QWHCGFSZSA-N 0 3 335.360 0.945 20 5 ECBDHN Cc1cc(OCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938656 439581827 /nfs/dbraw/zinc/58/18/27/439581827.db2.gz CSDVDJZDJWUCCC-ZIAGYGMSSA-N 0 3 349.387 0.950 20 5 ECBDHN N[C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CCN2C1=O ZINC000594694434 439592564 /nfs/dbraw/zinc/59/25/64/439592564.db2.gz PZVOXKVQWIURQX-ZJUUUORDSA-N 0 3 342.302 0.944 20 5 ECBDHN N[C@@H]1C[C@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)CCN2C1=O ZINC000594702743 439593427 /nfs/dbraw/zinc/59/34/27/439593427.db2.gz WHEZWDGYJJQXKX-WCQYABFASA-N 0 3 327.344 0.891 20 5 ECBDHN N[C@H]1C[C@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000594736413 439599798 /nfs/dbraw/zinc/59/97/98/439599798.db2.gz GBBXLHGQZSOBRF-RYUDHWBXSA-N 0 3 348.359 0.110 20 5 ECBDHN C[C@@H]1C[C@@H]1N1C[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715070 439609984 /nfs/dbraw/zinc/60/99/84/439609984.db2.gz DOALOQQSSVJSDS-HLSYRSCKSA-N 0 3 349.387 0.933 20 5 ECBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000611236551 439683421 /nfs/dbraw/zinc/68/34/21/439683421.db2.gz STNMJVWGDJCOSJ-GFCCVEGCSA-N 0 3 336.396 0.180 20 5 ECBDHN CN1CCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000600691216 439690037 /nfs/dbraw/zinc/69/00/37/439690037.db2.gz ITXYIGCAMFVUDI-JTQLQIEISA-N 0 3 342.377 0.066 20 5 ECBDHN NC(C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000353479103 321394011 /nfs/dbraw/zinc/39/40/11/321394011.db2.gz GOBHSCMZMXJKNS-XVKPBYJWSA-N 0 3 333.270 0.892 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000532792767 322061346 /nfs/dbraw/zinc/06/13/46/322061346.db2.gz AWCPMLJFPUSALO-HNNXBMFYSA-N 0 3 340.380 0.585 20 5 ECBDHN Cc1c(NC(=O)CCN2CC[C@H](CO)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000562383067 322272120 /nfs/dbraw/zinc/27/21/20/322272120.db2.gz QDTHGGWMGUITQL-IUODEOHRSA-N 0 3 337.376 0.907 20 5 ECBDHN O=C(NC[C@H]1CNCCO1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000572878355 322752700 /nfs/dbraw/zinc/75/27/00/322752700.db2.gz AFUSNCIGNRLRRK-SNVBAGLBSA-N 0 3 332.316 0.567 20 5 ECBDHN C[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000573336932 322760219 /nfs/dbraw/zinc/76/02/19/322760219.db2.gz AVYQEKXEMCJJHN-IIMNLJJBSA-N 0 3 325.340 0.971 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1CCCS(=O)(=O)C1 ZINC000574271703 322776321 /nfs/dbraw/zinc/77/63/21/322776321.db2.gz YDGCNLYFOVRXBV-RYUDHWBXSA-N 0 3 344.389 0.501 20 5 ECBDHN O=C1CCC(=O)N1CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577721991 322843967 /nfs/dbraw/zinc/84/39/67/322843967.db2.gz BVYRYXPVUYRDGK-LLVKDONJSA-N 0 3 337.332 0.073 20 5 ECBDHN CCOC(=O)[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000155113523 528064228 /nfs/dbraw/zinc/06/42/28/528064228.db2.gz JQKQVJWRLITIBM-WCQYABFASA-N 0 3 326.353 0.427 20 5 ECBDHN CCN(CC)CC(=O)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174846791 528084941 /nfs/dbraw/zinc/08/49/41/528084941.db2.gz GACHBSYENGWZSW-UHFFFAOYSA-N 0 3 338.412 0.277 20 5 ECBDHN CCN1CCN(CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000788676426 578842650 /nfs/dbraw/zinc/84/26/50/578842650.db2.gz UGBYCQBNGRJHNI-UHFFFAOYSA-N 0 3 348.450 0.572 20 5 ECBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCOCC1 ZINC000776593086 579285470 /nfs/dbraw/zinc/28/54/70/579285470.db2.gz VZICOTJYWKRIRM-HOTGVXAUSA-N 0 3 339.392 0.253 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCS(=O)(=O)C2)c1 ZINC000746286062 579835460 /nfs/dbraw/zinc/83/54/60/579835460.db2.gz DZAVTUGSRZPATO-ZYHUDNBSSA-N 0 3 330.362 0.111 20 5 ECBDHN CN(C)CC[C@@](C)(O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000842252585 589024331 /nfs/dbraw/zinc/02/43/31/589024331.db2.gz KCFRLNJWQWVKQP-MRXNPFEDSA-N 0 3 349.391 0.763 20 5 ECBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000843357955 589063831 /nfs/dbraw/zinc/06/38/31/589063831.db2.gz URTIAHFYFCBEJO-LLVKDONJSA-N 0 3 337.336 0.526 20 5 ECBDHN Nc1c(C(=O)N[C@@H](CO)CN2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000808220612 587150083 /nfs/dbraw/zinc/15/00/83/587150083.db2.gz KNHCMVKAOVSSLI-SNVBAGLBSA-N 0 3 326.328 0.503 20 5 ECBDHN CC(COC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[N+](=O)[O-] ZINC000813104611 587247949 /nfs/dbraw/zinc/24/79/49/587247949.db2.gz FJKYQHPDUFPNAT-LBPRGKRZSA-N 0 3 347.327 0.267 20 5 ECBDHN CC(COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813111067 587248362 /nfs/dbraw/zinc/24/83/62/587248362.db2.gz BTTNTNFOCBAPAY-ZETCQYMHSA-N 0 3 343.317 0.994 20 5 ECBDHN COCc1nc2n(n1)C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000819154187 587470627 /nfs/dbraw/zinc/47/06/27/587470627.db2.gz OUSZDZVMATXTHC-TZMCWYRMSA-N 0 3 347.375 0.971 20 5 ECBDHN CC([C@H](OC(=O)[C@H]1CCS(=O)(=O)N1)c1ccccc1F)[N+](=O)[O-] ZINC000845876553 589173677 /nfs/dbraw/zinc/17/36/77/589173677.db2.gz HMQUGQGHIYZWSH-FXAINCCUSA-N 0 3 346.336 0.767 20 5 ECBDHN O=C1OCCN1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000852723158 589507636 /nfs/dbraw/zinc/50/76/36/589507636.db2.gz PPWFOOALJSWHLK-CYBMUJFWSA-N 0 3 339.352 0.069 20 5 ECBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000854467937 589588463 /nfs/dbraw/zinc/58/84/63/589588463.db2.gz MFIZFMAXUAUKFQ-JTQLQIEISA-N 0 3 326.309 0.464 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC2CNC2)cc1Br ZINC000123824090 590090456 /nfs/dbraw/zinc/09/04/56/590090456.db2.gz GMHCPXSBEKLNPM-UHFFFAOYSA-N 0 3 336.167 0.607 20 5 ECBDHN O=C(CN1C[C@@H]2CCCN2C[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000880071975 590365927 /nfs/dbraw/zinc/36/59/27/590365927.db2.gz MYPQUTWISWWHGA-QWHCGFSZSA-N 0 3 334.376 0.674 20 5 ECBDHN CS[C@@H]1CN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000935113885 611843683 /nfs/dbraw/zinc/84/36/83/611843683.db2.gz QUDVYJFKIZMWQV-WDEREUQCSA-N 0 3 327.410 0.604 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)c2cn[nH]c2)CC1 ZINC000939973211 610177233 /nfs/dbraw/zinc/17/72/33/610177233.db2.gz ZIIGZKSYIZFHHG-UHFFFAOYSA-N 0 3 347.379 0.836 20 5 ECBDHN CN(C(=O)CN1CCN(C)CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000933993521 611764450 /nfs/dbraw/zinc/76/44/50/611764450.db2.gz DWVDJCALCSITGP-UHFFFAOYSA-N 0 3 349.435 0.737 20 5 ECBDHN Cc1cncn1CC(=O)N(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000954088769 612648014 /nfs/dbraw/zinc/64/80/14/612648014.db2.gz BWAKUXGHMSYYEI-ZIAGYGMSSA-N 0 3 349.391 0.306 20 5 ECBDHN O=C(Cn1cncn1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001023059729 736449859 /nfs/dbraw/zinc/44/98/59/736449859.db2.gz PWTGCOUHLPODLI-BETUJISGSA-N 0 3 330.348 0.623 20 5 ECBDHN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21)c1nnc[nH]1 ZINC001026114660 740386264 /nfs/dbraw/zinc/38/62/64/740386264.db2.gz ZANSNEXZWUWKAF-PJXYFTJBSA-N 0 3 328.332 0.573 20 5 ECBDHN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21)c1ncn[nH]1 ZINC001026114660 740386267 /nfs/dbraw/zinc/38/62/67/740386267.db2.gz ZANSNEXZWUWKAF-PJXYFTJBSA-N 0 3 328.332 0.573 20 5 ECBDHN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21)c1nc[nH]n1 ZINC001026114660 740386269 /nfs/dbraw/zinc/38/62/69/740386269.db2.gz ZANSNEXZWUWKAF-PJXYFTJBSA-N 0 3 328.332 0.573 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000990029701 754664259 /nfs/dbraw/zinc/66/42/59/754664259.db2.gz MPWJYHMSYGSJPR-UHFFFAOYSA-N 0 3 333.352 0.446 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2ccnn2C)CC1 ZINC000990204345 754832016 /nfs/dbraw/zinc/83/20/16/754832016.db2.gz OQTMPTRMYXZGFH-UHFFFAOYSA-N 0 3 347.379 0.456 20 5 ECBDHN Cc1nnsc1CN1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC001048814355 757081217 /nfs/dbraw/zinc/08/12/17/757081217.db2.gz HKJSLDCEIDQXHU-WRWGMCAJSA-N 0 3 337.405 0.402 20 5 ECBDHN O=C(c1cn[nH]n1)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048914748 757390969 /nfs/dbraw/zinc/39/09/69/757390969.db2.gz YFHIUKPEBGUSCV-BETUJISGSA-N 0 3 342.359 0.917 20 5 ECBDHN CCc1[nH]nc(C(=O)N2CCO[C@H]3CCN(CC)C[C@@H]32)c1[N+](=O)[O-] ZINC000355304044 299235512 /nfs/dbraw/zinc/23/55/12/299235512.db2.gz AUPOASUFSRFAHR-RYUDHWBXSA-N 0 3 337.380 0.816 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262723904 245146923 /nfs/dbraw/zinc/14/69/23/245146923.db2.gz GLVFYOKAACXMDC-SDDRHHMPSA-N 0 3 334.376 0.922 20 5 ECBDHN COc1ccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1O ZINC000080985385 217347843 /nfs/dbraw/zinc/34/78/43/217347843.db2.gz ZEWJKZDHFWRRQK-ZDUSSCGKSA-N 0 3 336.348 0.998 20 5 ECBDHN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[C@H](N3CC=CC3)C2)c1 ZINC000266308881 248239611 /nfs/dbraw/zinc/23/96/11/248239611.db2.gz ZXJUFTFJCGVAPK-NSHDSACASA-N 0 3 338.389 0.693 20 5 ECBDHN CCN1CCN([C@@H](C)CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357297565 299558942 /nfs/dbraw/zinc/55/89/42/299558942.db2.gz HNMDPTPQOAHADZ-NSHDSACASA-N 0 3 336.396 0.527 20 5 ECBDHN COC[C@@H]1C[C@H](O)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000411914193 208167759 /nfs/dbraw/zinc/16/77/59/208167759.db2.gz STSSMLYGZWSPLB-RWMBFGLXSA-N 0 3 326.349 0.416 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000418952093 208923122 /nfs/dbraw/zinc/92/31/22/208923122.db2.gz VAWMPUJZGYNAKQ-LBPRGKRZSA-N 0 3 336.348 0.073 20 5 ECBDHN CN(C)C(=O)OC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000495794704 255044045 /nfs/dbraw/zinc/04/40/45/255044045.db2.gz UTCGSCCVQQPIIU-GFCCVEGCSA-N 0 3 341.368 0.315 20 5 ECBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000180942019 533398098 /nfs/dbraw/zinc/39/80/98/533398098.db2.gz QOYGLPDWGNCLIR-VXGBXAGGSA-N 0 3 343.405 0.888 20 5 ECBDHN COC(=O)c1cnc(NCC2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000357701768 299616702 /nfs/dbraw/zinc/61/67/02/299616702.db2.gz XNULVPSYNFRBCP-UHFFFAOYSA-N 0 3 338.364 0.893 20 5 ECBDHN O=[N+]([O-])c1cnc2ccc(N3CCN(C[C@H]4CCOC4)CC3)nn21 ZINC000301977211 296893928 /nfs/dbraw/zinc/89/39/28/296893928.db2.gz WLNORWLQVCXNCJ-GFCCVEGCSA-N 0 3 332.364 0.796 20 5 ECBDHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189391597 263163099 /nfs/dbraw/zinc/16/30/99/263163099.db2.gz QIOVVBFXLFLDTH-ZDUSSCGKSA-N 0 3 336.392 0.922 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(CCN(C)C)CC1 ZINC000195455968 263170915 /nfs/dbraw/zinc/17/09/15/263170915.db2.gz CFWQWFTWQOLFMQ-UHFFFAOYSA-N 0 3 338.412 0.196 20 5 ECBDHN CCc1n[nH]c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000267066066 263179934 /nfs/dbraw/zinc/17/99/34/263179934.db2.gz ANKMLVYJECHALV-LLVKDONJSA-N 0 3 338.412 0.494 20 5 ECBDHN Cc1c(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)cccc1[N+](=O)[O-] ZINC000269908110 263212326 /nfs/dbraw/zinc/21/23/26/263212326.db2.gz NHZZISNOVJINNN-HNNXBMFYSA-N 0 3 338.364 0.271 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](NC(N)=O)C1 ZINC000270592066 263255339 /nfs/dbraw/zinc/25/53/39/263255339.db2.gz FFGULGPWMHGONV-LLVKDONJSA-N 0 3 335.364 0.974 20 5 ECBDHN CN(C)C(=O)C1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000295218347 265054663 /nfs/dbraw/zinc/05/46/63/265054663.db2.gz XMDQMWXFERBZLC-CYBMUJFWSA-N 0 3 339.396 0.533 20 5 ECBDHN C[NH+]1CCN(c2cc(CNC(=O)c3ccc([N+](=O)[O-])[n-]3)ccn2)CC1 ZINC000298991584 265315850 /nfs/dbraw/zinc/31/58/50/265315850.db2.gz IHEABJFTWRGXLA-UHFFFAOYSA-N 0 3 344.375 1.000 20 5 ECBDHN C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)NCCN1CCCCC1 ZINC000339439037 297348813 /nfs/dbraw/zinc/34/88/13/297348813.db2.gz ZCCCXOZZBAJHPC-JTQLQIEISA-N 0 3 338.368 0.038 20 5 ECBDHN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NCCN1CCCCC1 ZINC000339439037 297348816 /nfs/dbraw/zinc/34/88/16/297348816.db2.gz ZCCCXOZZBAJHPC-JTQLQIEISA-N 0 3 338.368 0.038 20 5 ECBDHN CNC(=O)C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000361641682 300112376 /nfs/dbraw/zinc/11/23/76/300112376.db2.gz CZWRZATUFDFOEB-GJZGRUSLSA-N 0 3 347.375 0.619 20 5 ECBDHN COCCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCN(C)CC1 ZINC000362356226 300184883 /nfs/dbraw/zinc/18/48/83/300184883.db2.gz FTACBLPLQNZMNX-UHFFFAOYSA-N 0 3 340.384 0.146 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCN(C2CCOCC2)CC1 ZINC000363239415 300255355 /nfs/dbraw/zinc/25/53/55/300255355.db2.gz VWVVIAZCRTWMQO-UHFFFAOYSA-N 0 3 337.380 0.505 20 5 ECBDHN COCCCN1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000364524842 300364471 /nfs/dbraw/zinc/36/44/71/300364471.db2.gz RPOBQYPUTPMNIH-UHFFFAOYSA-N 0 3 339.396 0.821 20 5 ECBDHN CCCNC(=O)[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075676433 436173124 /nfs/dbraw/zinc/17/31/24/436173124.db2.gz GVEBHSPSVGEKNH-JSGCOSHPSA-N 0 3 339.396 0.390 20 5 ECBDHN CN1CCN(CCCCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000541906727 302193799 /nfs/dbraw/zinc/19/37/99/302193799.db2.gz FXJLEMSNMUMPFK-UHFFFAOYSA-N 0 3 336.396 0.561 20 5 ECBDHN CC1CCN(C[C@@H](O)CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000116448353 436650150 /nfs/dbraw/zinc/65/01/50/436650150.db2.gz ZHYDSAPYFHKTON-AWEZNQCLSA-N 0 3 339.396 0.390 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000116451257 436650532 /nfs/dbraw/zinc/65/05/32/436650532.db2.gz HKGNVKKJXYYZNO-ZDUSSCGKSA-N 0 3 339.396 0.309 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCN1C ZINC000139186044 436664778 /nfs/dbraw/zinc/66/47/78/436664778.db2.gz IWRYNAIPAONENM-SMDDNHRTSA-N 0 3 334.376 0.924 20 5 ECBDHN CS(=O)(=O)c1cc(C(=O)NC2(CN)CCCC2)cc([N+](=O)[O-])c1 ZINC000237423087 436734718 /nfs/dbraw/zinc/73/47/18/436734718.db2.gz ICRFEJUIIMUHJW-UHFFFAOYSA-N 0 3 341.389 1.000 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152924141 436743470 /nfs/dbraw/zinc/74/34/70/436743470.db2.gz OOSDTTYYOCRBDG-INIZCTEOSA-N 0 3 347.375 0.823 20 5 ECBDHN COCCN1CCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000069499760 436776062 /nfs/dbraw/zinc/77/60/62/436776062.db2.gz FWNOUIAWXPCHNS-LBPRGKRZSA-N 0 3 325.369 0.408 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)C[C@H]1CO ZINC000274591963 436847963 /nfs/dbraw/zinc/84/79/63/436847963.db2.gz IBPJXXVCMZQXRA-NWDGAFQWSA-N 0 3 339.348 0.360 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)C[C@H]1CO ZINC000274463133 436829037 /nfs/dbraw/zinc/82/90/37/436829037.db2.gz IBPJXXVCMZQXRA-RYUDHWBXSA-N 0 3 339.348 0.360 20 5 ECBDHN CN1CCC[C@@]2(CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000293857564 436915605 /nfs/dbraw/zinc/91/56/05/436915605.db2.gz DLZOKUPYXMONBW-MRXNPFEDSA-N 0 3 334.376 0.701 20 5 ECBDHN O=C(C[C@@H]1CNCCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000261598347 436879309 /nfs/dbraw/zinc/87/93/09/436879309.db2.gz AMSNYOBTGLOHLU-OAHLLOKOSA-N 0 3 334.376 0.622 20 5 ECBDHN O=C(C[C@@H]1CNCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261790451 436888275 /nfs/dbraw/zinc/88/82/75/436888275.db2.gz YWYVEMJCLMVDMR-CYBMUJFWSA-N 0 3 334.376 0.622 20 5 ECBDHN CN(C)CC1(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000281610082 436984527 /nfs/dbraw/zinc/98/45/27/436984527.db2.gz DXIBBAOUZUWQMC-UHFFFAOYSA-N 0 3 334.376 0.925 20 5 ECBDHN CC1(OCC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CNC1 ZINC000325893071 437232445 /nfs/dbraw/zinc/23/24/45/437232445.db2.gz MEXZFMNBXAKGFU-UHFFFAOYSA-N 0 3 334.376 0.622 20 5 ECBDHN COCCN(C)C[C@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000326877937 437235121 /nfs/dbraw/zinc/23/51/21/437235121.db2.gz WPMXFIOQRYDVOB-LBPRGKRZSA-N 0 3 336.348 0.244 20 5 ECBDHN CCN1CCN(CCCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290431246 437486085 /nfs/dbraw/zinc/48/60/85/437486085.db2.gz AUAFSRDVRBTWIB-UHFFFAOYSA-N 0 3 336.396 0.528 20 5 ECBDHN O=C(C[C@H]1CNCCO1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269186093 437464968 /nfs/dbraw/zinc/46/49/68/437464968.db2.gz IDAXBFRYAWVUEP-HNNXBMFYSA-N 0 3 334.376 0.622 20 5 ECBDHN CN1CCC(CCO)(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000354144558 437542623 /nfs/dbraw/zinc/54/26/23/437542623.db2.gz UGZSXJGUEGOMKV-UHFFFAOYSA-N 0 3 337.376 0.937 20 5 ECBDHN Cc1c(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cccc1[N+](=O)[O-] ZINC000360540204 437624348 /nfs/dbraw/zinc/62/43/48/437624348.db2.gz MBBZQZXLUSWIMU-AWEZNQCLSA-N 0 3 348.403 0.930 20 5 ECBDHN C[C@H](CO)N1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000364925443 437826667 /nfs/dbraw/zinc/82/66/67/437826667.db2.gz ZHYHETCGHDHLII-GFCCVEGCSA-N 0 3 325.369 0.097 20 5 ECBDHN COC[C@@](C)(CC(=O)OC)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000341678862 437884708 /nfs/dbraw/zinc/88/47/08/437884708.db2.gz YPIAGPVPCBILDV-CQSZACIVSA-N 0 3 327.337 0.314 20 5 ECBDHN Cn1cc([C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]2N)cn1 ZINC000424245584 437911643 /nfs/dbraw/zinc/91/16/43/437911643.db2.gz URGQNVSGICGUNW-LSDHHAIUSA-N 0 3 329.360 0.824 20 5 ECBDHN CN(C)S(=O)(=O)N1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000342241493 437988637 /nfs/dbraw/zinc/98/86/37/437988637.db2.gz ZPXBGOPRNSZNET-ZDUSSCGKSA-N 0 3 342.421 0.955 20 5 ECBDHN C[C@@H]1CC[C@H](C(N)=O)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348531287 438069993 /nfs/dbraw/zinc/06/99/93/438069993.db2.gz MEMMHOHRPMMBFN-MBNYWOFBSA-N 0 3 337.376 0.920 20 5 ECBDHN O=C(CCOC1CNC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000349006123 438125548 /nfs/dbraw/zinc/12/55/48/438125548.db2.gz SUGJLEDYFBFMTI-NSHDSACASA-N 0 3 335.364 0.381 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000358070002 438141062 /nfs/dbraw/zinc/14/10/62/438141062.db2.gz UAJLGTIHUSURSC-MRXNPFEDSA-N 0 3 336.392 0.970 20 5 ECBDHN C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H](c1ccccc1)N(C)C ZINC000349222337 438142490 /nfs/dbraw/zinc/14/24/90/438142490.db2.gz YRYCBZOYFWATOT-BXUZGUMPSA-N 0 3 332.364 0.994 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000358070041 438142780 /nfs/dbraw/zinc/14/27/80/438142780.db2.gz UDXZJNAEPOXOCE-MRXNPFEDSA-N 0 3 346.343 0.645 20 5 ECBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000373306007 438143670 /nfs/dbraw/zinc/14/36/70/438143670.db2.gz SXCYIIVNEVJCCF-OLZOCXBDSA-N 0 3 349.391 0.865 20 5 ECBDHN Cc1nn(C)c(NCCCCN2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000358211318 438181600 /nfs/dbraw/zinc/18/16/00/438181600.db2.gz ONUHAAFVGREJBT-UHFFFAOYSA-N 0 3 340.428 0.439 20 5 ECBDHN CN1CC[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000368594794 438352810 /nfs/dbraw/zinc/35/28/10/438352810.db2.gz XLNWTCBSQZWYRE-WFASDCNBSA-N 0 3 346.387 0.877 20 5 ECBDHN COc1cc(C[NH2+][C@H]2CCc3nnnn3CC2)c([N+](=O)[O-])cc1[O-] ZINC000421393890 438485873 /nfs/dbraw/zinc/48/58/73/438485873.db2.gz FJKORAMTFDVLRY-JTQLQIEISA-N 0 3 334.336 0.790 20 5 ECBDHN COC(=O)COc1ccc(CNCCn2cncn2)cc1[N+](=O)[O-] ZINC000353754317 438531521 /nfs/dbraw/zinc/53/15/21/438531521.db2.gz ARSSHMMAWARMFX-UHFFFAOYSA-N 0 3 335.320 0.528 20 5 ECBDHN C[C@H]([NH3+])C[C@H](C)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422977583 438623625 /nfs/dbraw/zinc/62/36/25/438623625.db2.gz FWLPFNOYUAXRCC-QWRGUYRKSA-N 0 3 330.410 0.589 20 5 ECBDHN COCCN(C)C[C@@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000574771780 438720250 /nfs/dbraw/zinc/72/02/50/438720250.db2.gz WKVBODMFBVDIKU-SECBINFHSA-N 0 3 342.377 0.305 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1O ZINC000575136139 438739631 /nfs/dbraw/zinc/73/96/31/438739631.db2.gz VPSLCTMSOQOWAQ-QWRGUYRKSA-N 0 3 345.302 0.943 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)[C@H](OC)C1 ZINC000451757785 438712765 /nfs/dbraw/zinc/71/27/65/438712765.db2.gz JVOJPCULPOWJAJ-TZMCWYRMSA-N 0 3 339.348 0.624 20 5 ECBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860109 438844786 /nfs/dbraw/zinc/84/47/86/438844786.db2.gz DMOOYPYFYOUJDT-VXGBXAGGSA-N 0 3 345.359 0.752 20 5 ECBDHN CCCc1[nH]nc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861923 438845296 /nfs/dbraw/zinc/84/52/96/438845296.db2.gz YNWXNFAVEHXEEL-QWRGUYRKSA-N 0 3 337.380 0.552 20 5 ECBDHN CCCc1n[nH]c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861923 438845300 /nfs/dbraw/zinc/84/53/00/438845300.db2.gz YNWXNFAVEHXEEL-QWRGUYRKSA-N 0 3 337.380 0.552 20 5 ECBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000595744031 438854197 /nfs/dbraw/zinc/85/41/97/438854197.db2.gz UNXBMTJKZSYDGP-UKRRQHHQSA-N 0 3 326.349 0.682 20 5 ECBDHN Cc1c(CC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000595949867 438896879 /nfs/dbraw/zinc/89/68/79/438896879.db2.gz ZKCUGLXKMBMKLE-UHFFFAOYSA-N 0 3 331.332 0.716 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(CO)(CO)C1 ZINC000595804756 438864343 /nfs/dbraw/zinc/86/43/43/438864343.db2.gz CYDNOGZZNSGXHK-GFCCVEGCSA-N 0 3 326.349 0.011 20 5 ECBDHN CC(C)NC(=O)[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595851213 438870386 /nfs/dbraw/zinc/87/03/86/438870386.db2.gz POUKIECFXJKBEJ-TZMCWYRMSA-N 0 3 339.396 0.389 20 5 ECBDHN CN1C(=O)CC[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000564855609 438878092 /nfs/dbraw/zinc/87/80/92/438878092.db2.gz CYFIDUPTYJOQOK-DGCLKSJQSA-N 0 3 337.332 0.072 20 5 ECBDHN CN(C)CCn1cc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cn1 ZINC000601410801 438880401 /nfs/dbraw/zinc/88/04/01/438880401.db2.gz JZLVTRMXPRXLDZ-UHFFFAOYSA-N 0 3 344.375 0.946 20 5 ECBDHN CN1CCN(CC2CN(C(=O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590399982 438917871 /nfs/dbraw/zinc/91/78/71/438917871.db2.gz NXSNXQAQQOBSIU-UHFFFAOYSA-N 0 3 348.403 0.679 20 5 ECBDHN CCN1CCN(CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000596073315 438923272 /nfs/dbraw/zinc/92/32/72/438923272.db2.gz JWXSPXOKCLGIJZ-UHFFFAOYSA-N 0 3 346.391 1.293 20 5 ECBDHN NC(=O)[C@H]1CC[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])O1 ZINC000565359370 438943972 /nfs/dbraw/zinc/94/39/72/438943972.db2.gz VBWLWKSBYJGCPP-GXFFZTMASA-N 0 3 336.348 0.546 20 5 ECBDHN C[C@@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596202176 438940802 /nfs/dbraw/zinc/94/08/02/438940802.db2.gz QRHJITLNTOCPTO-LLVKDONJSA-N 0 3 336.392 0.975 20 5 ECBDHN CCNC(=O)C(C)(C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459584286 438978210 /nfs/dbraw/zinc/97/82/10/438978210.db2.gz IKOROHILGUGUGX-LLVKDONJSA-N 0 3 325.365 0.839 20 5 ECBDHN CNc1nccc(C(=O)NC[C@@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000566982138 439103174 /nfs/dbraw/zinc/10/31/74/439103174.db2.gz CTXXWZKZMCDQHH-AWEZNQCLSA-N 0 3 339.421 1.199 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCc2nnc3n2CCC3)c1 ZINC000591727810 439077483 /nfs/dbraw/zinc/07/74/83/439077483.db2.gz VFOJILWYYHEMJU-CYBMUJFWSA-N 0 3 347.375 0.705 20 5 ECBDHN O=c1[nH]c2c(cc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000591739609 439077957 /nfs/dbraw/zinc/07/79/57/439077957.db2.gz OVXNZCLXXXCMOU-CYBMUJFWSA-N 0 3 333.348 0.531 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)CN1CCN(C)CC1 ZINC000591727535 439078129 /nfs/dbraw/zinc/07/81/29/439078129.db2.gz HGBQWTZOTCSRTE-HNNXBMFYSA-N 0 3 338.408 0.301 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000602819125 439140524 /nfs/dbraw/zinc/14/05/24/439140524.db2.gz ZBUPOSWERKLXDP-LBPRGKRZSA-N 0 3 325.413 0.877 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](O)[C@H]2CCOC2)cc1 ZINC000592431079 439226970 /nfs/dbraw/zinc/22/69/70/439226970.db2.gz LCZIUNLWOGWNFB-SMDDNHRTSA-N 0 3 344.389 0.356 20 5 ECBDHN C[C@H](N)[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475945 439237046 /nfs/dbraw/zinc/23/70/46/439237046.db2.gz WZEZDGIDGOAKFU-FZMZJTMJSA-N 0 3 343.405 0.417 20 5 ECBDHN CC1CCN(C[C@@H](O)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000581893057 439263015 /nfs/dbraw/zinc/26/30/15/439263015.db2.gz GBRRLKNPQDCVSW-NSHDSACASA-N 0 3 337.380 0.395 20 5 ECBDHN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC2CNC2)c1 ZINC000582419817 439331780 /nfs/dbraw/zinc/33/17/80/439331780.db2.gz JBVOLZJIRVZTRC-UHFFFAOYSA-N 0 3 336.167 0.607 20 5 ECBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(CN3CCN(C)CC3)C2)n1 ZINC000599109327 439359610 /nfs/dbraw/zinc/35/96/10/439359610.db2.gz UBBIISWSEDNWJI-UHFFFAOYSA-N 0 3 349.391 0.460 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593234067 439355642 /nfs/dbraw/zinc/35/56/42/439355642.db2.gz CTVWKGMYBIJZIR-UHFFFAOYSA-N 0 3 334.376 0.749 20 5 ECBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599251263 439402236 /nfs/dbraw/zinc/40/22/36/439402236.db2.gz DAHQBHNLEILFKK-SNVBAGLBSA-N 0 3 331.398 0.433 20 5 ECBDHN Cc1cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)ccc1[N+](=O)[O-] ZINC000570519515 439428731 /nfs/dbraw/zinc/42/87/31/439428731.db2.gz GQUAPUNFYMVRAL-NSHDSACASA-N 0 3 328.394 0.167 20 5 ECBDHN CN1CCC[C@H](N[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000593921158 439496803 /nfs/dbraw/zinc/49/68/03/439496803.db2.gz PWVICHPXKDHBRN-SMDDNHRTSA-N 0 3 332.360 0.911 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594025181 439508464 /nfs/dbraw/zinc/50/84/64/439508464.db2.gz CQENTZLCXCCGDD-MJBXVCDLSA-N 0 3 337.376 0.085 20 5 ECBDHN O=C(CCN1CCN2C[C@H](O)C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000594027525 439508508 /nfs/dbraw/zinc/50/85/08/439508508.db2.gz QJVUPRHPYBQAQE-QWHCGFSZSA-N 0 3 334.376 0.674 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599938025 439578810 /nfs/dbraw/zinc/57/88/10/439578810.db2.gz KOYNKXOLQKJXCX-CHWSQXEVSA-N 0 3 335.360 0.641 20 5 ECBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)N(C)C1 ZINC000572682259 439600691 /nfs/dbraw/zinc/60/06/91/439600691.db2.gz KGEJNYFHOSCEPG-CHWSQXEVSA-N 0 3 337.376 0.887 20 5 ECBDHN COc1cc(OCC(=O)N2CCN(C)C[C@H]2CN)ccc1[N+](=O)[O-] ZINC000572760142 439608399 /nfs/dbraw/zinc/60/83/99/439608399.db2.gz IMUSURZIMLPKNB-LLVKDONJSA-N 0 3 338.364 0.084 20 5 ECBDHN C[C@@H]1[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000600756639 439699324 /nfs/dbraw/zinc/69/93/24/439699324.db2.gz NJCMIUSEAMJWMQ-IJLUTSLNSA-N 0 3 344.389 0.500 20 5 ECBDHN CN1CCOC[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600757800 439700770 /nfs/dbraw/zinc/70/07/70/439700770.db2.gz SYGYJJYJYXLTID-CYBMUJFWSA-N 0 3 343.405 0.289 20 5 ECBDHN Cc1noc(CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000595399319 439721806 /nfs/dbraw/zinc/72/18/06/439721806.db2.gz ZGQGKYUWBMKEMU-GFCCVEGCSA-N 0 3 337.380 0.805 20 5 ECBDHN O=C(CCc1[nH]c(O)nc1O)Nc1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000611158211 439676895 /nfs/dbraw/zinc/67/68/95/439676895.db2.gz KQDVNACQSBCGGJ-VIFPVBQESA-N 0 3 332.276 0.398 20 5 ECBDHN COC1(CO)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000618551338 440132370 /nfs/dbraw/zinc/13/23/70/440132370.db2.gz WMFXOIZZLSUJSG-CQSZACIVSA-N 0 3 340.376 0.808 20 5 ECBDHN CNS(=O)(=O)CCN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000275884059 320569899 /nfs/dbraw/zinc/56/98/99/320569899.db2.gz LAXADMTWYRUNQQ-JTQLQIEISA-N 0 3 344.393 0.451 20 5 ECBDHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc([N+](=O)[O-])o1 ZINC000340242302 321028358 /nfs/dbraw/zinc/02/83/58/321028358.db2.gz QYGDNLCNPJOSEU-UHFFFAOYSA-N 0 3 340.380 0.308 20 5 ECBDHN C[C@H]1CN(C)C[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349684498 321312833 /nfs/dbraw/zinc/31/28/33/321312833.db2.gz KLXYZEPJDBIRAE-FZMZJTMJSA-N 0 3 327.406 0.908 20 5 ECBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000563199301 322303900 /nfs/dbraw/zinc/30/39/00/322303900.db2.gz WAPWPZPCZDSAPB-LLVKDONJSA-N 0 3 349.391 0.985 20 5 ECBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000563199302 322303911 /nfs/dbraw/zinc/30/39/11/322303911.db2.gz WAPWPZPCZDSAPB-NSHDSACASA-N 0 3 349.391 0.985 20 5 ECBDHN COc1c(C(=O)NC[C@@]2(O)CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000569235869 322647656 /nfs/dbraw/zinc/64/76/56/322647656.db2.gz RDSYMXHFKKIJOL-MRXNPFEDSA-N 0 3 335.360 0.790 20 5 ECBDHN CN1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000572480980 322745543 /nfs/dbraw/zinc/74/55/43/322745543.db2.gz IZJIDZPTWXLVAV-CYBMUJFWSA-N 0 3 333.392 0.884 20 5 ECBDHN CS(=O)(=O)C1(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000578642535 322870477 /nfs/dbraw/zinc/87/04/77/322870477.db2.gz PDHHEOWFGBVRBY-LBPRGKRZSA-N 0 3 346.409 0.099 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCCOc2ncccc2Cl)c1 ZINC000580434543 322925436 /nfs/dbraw/zinc/92/54/36/322925436.db2.gz AAYAISBKLBDCTC-LLVKDONJSA-N 0 3 341.755 0.869 20 5 ECBDHN CN(C)C[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000246058103 535969952 /nfs/dbraw/zinc/96/99/52/535969952.db2.gz YHVXCXPOTTWIIK-HOTGVXAUSA-N 0 3 348.403 0.963 20 5 ECBDHN C[C@@H](OC(=O)C1CCN(C)C1=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000772505187 579208633 /nfs/dbraw/zinc/20/86/33/579208633.db2.gz BKZMNFRARPDYSY-NXEZZACHSA-N 0 3 335.316 0.943 20 5 ECBDHN CN(C[C@H](O)CN1CCOCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593088 579285503 /nfs/dbraw/zinc/28/55/03/579285503.db2.gz VZICOTJYWKRIRM-JKSUJKDBSA-N 0 3 339.392 0.253 20 5 ECBDHN CNCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000842824861 589038386 /nfs/dbraw/zinc/03/83/86/589038386.db2.gz HYGHRVIGGYTXKR-UHFFFAOYSA-N 0 3 346.365 0.960 20 5 ECBDHN COCCNS(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108595 587248364 /nfs/dbraw/zinc/24/83/64/587248364.db2.gz IAQGUYWSPHUEKO-JTQLQIEISA-N 0 3 346.361 0.433 20 5 ECBDHN Cc1ncc2c(n1)CCC[C@H]2NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819078325 587467125 /nfs/dbraw/zinc/46/71/25/587467125.db2.gz IVDXKAVMDUCIIC-TZMCWYRMSA-N 0 3 332.364 0.918 20 5 ECBDHN CN(C)C(=O)[C@@H]1CC[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819207545 587472237 /nfs/dbraw/zinc/47/22/37/587472237.db2.gz JWZQYNSNLKOVJQ-ILXRZTDVSA-N 0 3 337.376 0.854 20 5 ECBDHN COCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821691387 587623624 /nfs/dbraw/zinc/62/36/24/587623624.db2.gz SGUOOGHWDFBBFB-UHFFFAOYSA-N 0 3 347.379 0.933 20 5 ECBDHN COCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821691387 587623626 /nfs/dbraw/zinc/62/36/26/587623626.db2.gz SGUOOGHWDFBBFB-UHFFFAOYSA-N 0 3 347.379 0.933 20 5 ECBDHN COc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1-c1nnn[n-]1 ZINC000821813930 587632402 /nfs/dbraw/zinc/63/24/02/587632402.db2.gz PKQCKWAXMYUFLU-UHFFFAOYSA-N 0 3 344.335 0.770 20 5 ECBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@](C)(O)c1ccccc1 ZINC000823592349 587732566 /nfs/dbraw/zinc/73/25/66/587732566.db2.gz RAMNOSIXAUFQKZ-HOTGVXAUSA-N 0 3 334.376 0.992 20 5 ECBDHN COCCN1CCC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825709179 587957305 /nfs/dbraw/zinc/95/73/05/587957305.db2.gz QOYGJRIQIAJXKP-LSDHHAIUSA-N 0 3 337.376 0.855 20 5 ECBDHN Cc1cc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)c(N)c([N+](=O)[O-])c1 ZINC000832814401 588506936 /nfs/dbraw/zinc/50/69/36/588506936.db2.gz AVFHZMDYVBHPTR-UHFFFAOYSA-N 0 3 346.351 0.265 20 5 ECBDHN CC([C@H](OC(=O)CN1CCOCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845884404 589174462 /nfs/dbraw/zinc/17/44/62/589174462.db2.gz YZWRHLYAURSCOI-BMIGLBTASA-N 0 3 340.307 0.934 20 5 ECBDHN NC[C@@H]1CC(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)=NO1 ZINC000852802455 589512800 /nfs/dbraw/zinc/51/28/00/589512800.db2.gz JNPMEPKZBBFJRI-NSHDSACASA-N 0 3 333.348 0.347 20 5 ECBDHN Cn1nccc1[C@H](O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000856799956 589676311 /nfs/dbraw/zinc/67/63/11/589676311.db2.gz MOHIBWXCOWDLPN-OAHLLOKOSA-N 0 3 334.380 0.970 20 5 ECBDHN CON(C)C(=O)[C@@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000863587603 590025435 /nfs/dbraw/zinc/02/54/35/590025435.db2.gz ZMDYADFJJRDQKR-MNOVXSKESA-N 0 3 327.337 0.332 20 5 ECBDHN CN(C)CCN1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1=O ZINC000865907124 590161695 /nfs/dbraw/zinc/16/16/95/590161695.db2.gz NPFSHASVUVTIRX-UHFFFAOYSA-N 0 3 340.355 0.436 20 5 ECBDHN Cc1ccc(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000876169177 590364120 /nfs/dbraw/zinc/36/41/20/590364120.db2.gz ONTNEGIDFQXHHJ-UONOGXRCSA-N 0 3 334.376 0.864 20 5 ECBDHN C[C@@H]1[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000925316161 611467849 /nfs/dbraw/zinc/46/78/49/611467849.db2.gz XBQFDZWOLIGVQS-OCCSQVGLSA-N 0 3 348.407 0.914 20 5 ECBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCC(=O)NCCN1CCCCC1 ZINC000915649477 609918511 /nfs/dbraw/zinc/91/85/11/609918511.db2.gz WIFJWKLKWUQWCO-UHFFFAOYSA-N 0 3 337.380 0.265 20 5 ECBDHN Cc1cc(OCC(=O)N(C)CCN(C)CCO)ccc1[N+](=O)[O-] ZINC000912604969 609976383 /nfs/dbraw/zinc/97/63/83/609976383.db2.gz YIQGFPGRKRZZED-UHFFFAOYSA-N 0 3 325.365 0.665 20 5 ECBDHN Cc1cncn1CC(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953929100 612457664 /nfs/dbraw/zinc/45/76/64/612457664.db2.gz VWMFAIRQMIVAAM-ZIAGYGMSSA-N 0 3 349.391 0.306 20 5 ECBDHN CCCc1noc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996429728 757658504 /nfs/dbraw/zinc/65/85/04/757658504.db2.gz UYEPFSGXMDVKPP-VXGBXAGGSA-N 0 3 337.380 0.768 20 5 ECBDHN O=C(CN1CN=NC1=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021987461 758134829 /nfs/dbraw/zinc/13/48/29/758134829.db2.gz HVUPGZSXJNOUHT-TXEJJXNPSA-N 0 3 346.347 0.329 20 5 ECBDHN O=C(N[C@H]1C[C@H](NCc2nnc(C3CC3)s2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140066 772207735 /nfs/dbraw/zinc/20/77/35/772207735.db2.gz WMNKUQMPONSAOC-GWOFURMSSA-N 0 3 337.405 0.818 20 5 ECBDHN CN(C(=O)CN1CCCC1)C1CN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001044298679 776090191 /nfs/dbraw/zinc/09/01/91/776090191.db2.gz WGPVNVWZNWIOPL-UHFFFAOYSA-N 0 3 336.396 0.067 20 5 ECBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1COc2ccccc2O1 ZINC000174710828 529961818 /nfs/dbraw/zinc/96/18/18/529961818.db2.gz HIZTWFJEBZLBDS-KBPBESRZSA-N 0 3 348.359 0.924 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000425550934 210071620 /nfs/dbraw/zinc/07/16/20/210071620.db2.gz PSKNUBBNRVTXFV-YPMHNXCESA-N 0 3 333.348 0.942 20 5 ECBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCCC[C@@H]1CN ZINC000423623551 282493955 /nfs/dbraw/zinc/49/39/55/282493955.db2.gz OHJSRPCQFJURAC-CQSZACIVSA-N 0 3 348.403 0.936 20 5 ECBDHN N[C@H]1Cc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000424074646 283645337 /nfs/dbraw/zinc/64/53/37/283645337.db2.gz KESKXIKHMFTRTH-LBPRGKRZSA-N 0 3 328.328 0.673 20 5 ECBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000193572783 240217438 /nfs/dbraw/zinc/21/74/38/240217438.db2.gz NHSQHWKLQDTDHW-GFCCVEGCSA-N 0 3 335.408 0.912 20 5 ECBDHN CCOC(=O)CC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266516037 248340613 /nfs/dbraw/zinc/34/06/13/248340613.db2.gz GKMAJLMNXACKKM-CQSZACIVSA-N 0 3 340.380 0.817 20 5 ECBDHN Cc1ccc(NCCCNC(=O)C(=O)N[C@H](C)CN)c([N+](=O)[O-])c1 ZINC000419455072 209099381 /nfs/dbraw/zinc/09/93/81/209099381.db2.gz OBPXQLJBWUUYET-LLVKDONJSA-N 0 3 337.380 0.285 20 5 ECBDHN CC(COC(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1)[N+](=O)[O-] ZINC000496343167 255092335 /nfs/dbraw/zinc/09/23/35/255092335.db2.gz LLVZGBVGDJNSOS-SECBINFHSA-N 0 3 343.340 0.625 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000246798079 165143099 /nfs/dbraw/zinc/14/30/99/165143099.db2.gz SNURYBWVCPSVGF-GXTWGEPZSA-N 0 3 335.368 0.156 20 5 ECBDHN CC(C)c1n[nH]c(C(=O)N2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000269386878 263180817 /nfs/dbraw/zinc/18/08/17/263180817.db2.gz QLVLDUHNNPMYLR-UHFFFAOYSA-N 0 3 338.412 0.761 20 5 ECBDHN CC(C)c1[nH]nc(C(=O)N2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000269386878 263180818 /nfs/dbraw/zinc/18/08/18/263180818.db2.gz QLVLDUHNNPMYLR-UHFFFAOYSA-N 0 3 338.412 0.761 20 5 ECBDHN CS[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000270521688 263248365 /nfs/dbraw/zinc/24/83/65/263248365.db2.gz SXVVFFSUXZCFPS-RYUDHWBXSA-N 0 3 327.410 0.685 20 5 ECBDHN CCc1n[nH]c(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000271003698 263292561 /nfs/dbraw/zinc/29/25/61/263292561.db2.gz GEOLYEXZOMUXBY-VHSXEESVSA-N 0 3 327.410 0.998 20 5 ECBDHN CCc1[nH]nc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000271003698 263292562 /nfs/dbraw/zinc/29/25/62/263292562.db2.gz GEOLYEXZOMUXBY-VHSXEESVSA-N 0 3 327.410 0.998 20 5 ECBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000272555021 263351863 /nfs/dbraw/zinc/35/18/63/263351863.db2.gz LCTVYJNYSFDHMR-WDEREUQCSA-N 0 3 330.348 0.998 20 5 ECBDHN CCN(CCO)CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412268811 276132762 /nfs/dbraw/zinc/13/27/62/276132762.db2.gz KMYAYKQMOLVCQN-UHFFFAOYSA-N 0 3 343.355 0.715 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000359705098 299881235 /nfs/dbraw/zinc/88/12/35/299881235.db2.gz HRZJWZBAGQZFFJ-UKRRQHHQSA-N 0 3 340.380 0.422 20 5 ECBDHN Cc1c(CNC(=O)C(=O)NC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000339639876 297367947 /nfs/dbraw/zinc/36/79/47/297367947.db2.gz VRCLJUKHCPCAGZ-UHFFFAOYSA-N 0 3 334.376 0.730 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000346177898 298233303 /nfs/dbraw/zinc/23/33/03/298233303.db2.gz AKOKSKAZLIZSTK-AAEUAGOBSA-N 0 3 348.363 0.902 20 5 ECBDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000352408380 298925409 /nfs/dbraw/zinc/92/54/09/298925409.db2.gz VAEHPRRMIXZTCC-GHMZBOCLSA-N 0 3 331.398 0.241 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363104348 300246889 /nfs/dbraw/zinc/24/68/89/300246889.db2.gz OHXYCZGZVIIHIL-UKRRQHHQSA-N 0 3 335.360 0.953 20 5 ECBDHN Cc1nn(C)c(C(=O)N2CCCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000363487633 300269099 /nfs/dbraw/zinc/26/90/99/300269099.db2.gz ZADIDDRUVVCDMY-UHFFFAOYSA-N 0 3 338.412 0.346 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCNC1(CO)Cc2ccccc2C1 ZINC000372346208 300992673 /nfs/dbraw/zinc/99/26/73/300992673.db2.gz MLVCBLVKVJTRGI-UHFFFAOYSA-N 0 3 329.356 0.876 20 5 ECBDHN CN1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000091482588 436449976 /nfs/dbraw/zinc/44/99/76/436449976.db2.gz AWZHLAJQTTVVLQ-JTQLQIEISA-N 0 3 328.394 0.996 20 5 ECBDHN O=C1[C@@H](N[C@@H]2CCc3ncnn3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109132790 436623674 /nfs/dbraw/zinc/62/36/74/436623674.db2.gz DBOIBAUZPYHDIL-RISCZKNCSA-N 0 3 342.359 0.896 20 5 ECBDHN CC(C)(C)[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000109332114 436624669 /nfs/dbraw/zinc/62/46/69/436624669.db2.gz OONJFWIUFMAJJA-AAEUAGOBSA-N 0 3 325.365 0.824 20 5 ECBDHN CCN1CCN(CCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000112918335 436634513 /nfs/dbraw/zinc/63/45/13/436634513.db2.gz IHZSEVVRCNNVIB-UHFFFAOYSA-N 0 3 336.392 0.727 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152653603 436736625 /nfs/dbraw/zinc/73/66/25/436736625.db2.gz VTPGHKFZSDLNAJ-MRXNPFEDSA-N 0 3 347.375 0.823 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000128091789 436810600 /nfs/dbraw/zinc/81/06/00/436810600.db2.gz QNAUVKJMMXVQIY-GFCCVEGCSA-N 0 3 338.412 0.099 20 5 ECBDHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000274525330 436838912 /nfs/dbraw/zinc/83/89/12/436838912.db2.gz ZAMWZDAYRKVORY-UHFFFAOYSA-N 0 3 338.364 0.272 20 5 ECBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CCCNCC1 ZINC000160829616 436880363 /nfs/dbraw/zinc/88/03/63/436880363.db2.gz FILGIRGJSJEFSB-LLVKDONJSA-N 0 3 336.348 0.614 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000162486204 436906752 /nfs/dbraw/zinc/90/67/52/436906752.db2.gz WPDMJGPWBSYOLG-CQSZACIVSA-N 0 3 336.396 0.030 20 5 ECBDHN CN(C[C@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000298111841 437028156 /nfs/dbraw/zinc/02/81/56/437028156.db2.gz OIWOWUPGTXPSGL-AWEZNQCLSA-N 0 3 335.408 0.567 20 5 ECBDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331679372 437142107 /nfs/dbraw/zinc/14/21/07/437142107.db2.gz SHVNCZHSZWHZAS-UONOGXRCSA-N 0 3 346.387 0.988 20 5 ECBDHN Nc1c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc(F)cc1[N+](=O)[O-] ZINC000326910465 437235196 /nfs/dbraw/zinc/23/51/96/437235196.db2.gz NVNYQKQDPGLIOF-QWRGUYRKSA-N 0 3 338.339 0.909 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000182738678 437359674 /nfs/dbraw/zinc/35/96/74/437359674.db2.gz OKXGYKBDCSSCAQ-MNOVXSKESA-N 0 3 339.396 0.798 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000182738678 437359678 /nfs/dbraw/zinc/35/96/78/437359678.db2.gz OKXGYKBDCSSCAQ-MNOVXSKESA-N 0 3 339.396 0.798 20 5 ECBDHN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(N2CCNCC2)cn1 ZINC000269167282 437462551 /nfs/dbraw/zinc/46/25/51/437462551.db2.gz QTYIHFLKHSWZRP-UHFFFAOYSA-N 0 3 331.336 0.235 20 5 ECBDHN CCn1cc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])n1 ZINC000330450180 437516258 /nfs/dbraw/zinc/51/62/58/437516258.db2.gz IPPODPLHMAHRJG-LLVKDONJSA-N 0 3 345.425 0.774 20 5 ECBDHN O=C(NCC1CCN(CCO)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000340551126 437689448 /nfs/dbraw/zinc/68/94/48/437689448.db2.gz OPLVQGMJELYWCR-UHFFFAOYSA-N 0 3 347.375 0.905 20 5 ECBDHN COC1CCN(C(C)(C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000341265826 437823153 /nfs/dbraw/zinc/82/31/53/437823153.db2.gz RYTIGUTZSKIVMG-UHFFFAOYSA-N 0 3 339.396 0.797 20 5 ECBDHN CN(C)C1(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000416305470 437914501 /nfs/dbraw/zinc/91/45/01/437914501.db2.gz XJWDQFHBSGXHIB-UHFFFAOYSA-N 0 3 330.348 1.000 20 5 ECBDHN COc1ccc(S(=O)(=O)NC[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000416497389 437947576 /nfs/dbraw/zinc/94/75/76/437947576.db2.gz SVAWYYFJOOXIPF-SNVBAGLBSA-N 0 3 329.378 0.833 20 5 ECBDHN CN1CCC(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000348909918 438115633 /nfs/dbraw/zinc/11/56/33/438115633.db2.gz JYVWKJGFEJLGFI-UHFFFAOYSA-N 0 3 349.391 0.604 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000358041866 438129798 /nfs/dbraw/zinc/12/97/98/438129798.db2.gz GGIVRAZDGTUCDK-MRXNPFEDSA-N 0 3 332.360 0.801 20 5 ECBDHN COc1cnccc1N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000358268954 438191204 /nfs/dbraw/zinc/19/12/04/438191204.db2.gz BBYCBENPVAVEMV-UHFFFAOYSA-N 0 3 346.347 0.694 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000418945618 438260565 /nfs/dbraw/zinc/26/05/65/438260565.db2.gz NADRUBUDLUQIEN-GFCCVEGCSA-N 0 3 336.348 0.169 20 5 ECBDHN COc1ccc(CNC(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358726664 438291081 /nfs/dbraw/zinc/29/10/81/438291081.db2.gz VAZNHJDCSGBXBM-OAHLLOKOSA-N 0 3 338.364 0.469 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@H]1CC[NH2+]C1)OCCO2 ZINC000440839220 438567539 /nfs/dbraw/zinc/56/75/39/438567539.db2.gz AKDCFYDKRYJEBN-VIFPVBQESA-N 0 3 343.361 0.254 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000493110999 438605920 /nfs/dbraw/zinc/60/59/20/438605920.db2.gz AZJSMRDOZNCGDV-FBVTZJDUSA-N 0 3 330.344 0.378 20 5 ECBDHN [NH3+][C@@H]1CCC[C@H]1NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979028 438623240 /nfs/dbraw/zinc/62/32/40/438623240.db2.gz IQVRATVKBOGKJD-GHMZBOCLSA-N 0 3 328.394 0.343 20 5 ECBDHN C[C@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000422984471 438624788 /nfs/dbraw/zinc/62/47/88/438624788.db2.gz XWIOLUVIZBGZJE-NWDGAFQWSA-N 0 3 342.421 0.603 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2C[C@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000453033428 438681362 /nfs/dbraw/zinc/68/13/62/438681362.db2.gz JQCOPRHMVMHHME-HIFRSBDPSA-N 0 3 346.387 0.796 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](CO)[C@H]1CCCO1 ZINC000447913783 438681566 /nfs/dbraw/zinc/68/15/66/438681566.db2.gz NKIVVNBMFYSIOB-MBNYWOFBSA-N 0 3 326.349 0.464 20 5 ECBDHN O=c1[nH]c(NC[C@@H]2CCCN2CCCO)nc2ccc([N+](=O)[O-])cc12 ZINC000450596696 438693531 /nfs/dbraw/zinc/69/35/31/438693531.db2.gz NSZCEXCFFGJHPE-LBPRGKRZSA-N 0 3 347.375 1.502 20 5 ECBDHN CNc1nc(C(=O)N2CCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000454360445 438715445 /nfs/dbraw/zinc/71/54/45/438715445.db2.gz OBHJPHXUZIDYQH-UHFFFAOYSA-N 0 3 336.396 0.351 20 5 ECBDHN CCS(=O)(=O)C[C@@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575174859 438741401 /nfs/dbraw/zinc/74/14/01/438741401.db2.gz WYMVUIBXCWOPJN-NEPJUHHUSA-N 0 3 346.405 0.747 20 5 ECBDHN CNc1nc(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456071349 438757870 /nfs/dbraw/zinc/75/78/70/438757870.db2.gz SPLVKESWPULBTA-ZYHUDNBSSA-N 0 3 337.380 0.559 20 5 ECBDHN CO[C@@]1(CO)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595661092 438841043 /nfs/dbraw/zinc/84/10/43/438841043.db2.gz IAZZIFWLFZUTTA-ZBFHGGJFSA-N 0 3 340.376 0.808 20 5 ECBDHN NC(=O)C1(NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595729425 438852818 /nfs/dbraw/zinc/85/28/18/438852818.db2.gz RYBIAOJLUHJIEW-UHFFFAOYSA-N 0 3 336.348 0.548 20 5 ECBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000590402417 438918558 /nfs/dbraw/zinc/91/85/58/438918558.db2.gz TUAKHAIBMJYVSS-KGLIPLIRSA-N 0 3 337.380 0.503 20 5 ECBDHN NS(=O)(=O)c1cc(N[C@@H]2CCN(C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000596091203 438924027 /nfs/dbraw/zinc/92/40/27/438924027.db2.gz YEPTUSNAXHMECO-SECBINFHSA-N 0 3 326.378 0.891 20 5 ECBDHN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCOC2(CNC2)C1 ZINC000596098092 438924174 /nfs/dbraw/zinc/92/41/74/438924174.db2.gz MPOPVOILLDHKOJ-UHFFFAOYSA-N 0 3 335.316 0.180 20 5 ECBDHN COc1cccc(C(=O)NC[C@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000578452951 438926505 /nfs/dbraw/zinc/92/65/05/438926505.db2.gz ZINJAXXYJPTEHR-INIZCTEOSA-N 0 3 335.360 0.790 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000578453653 438926581 /nfs/dbraw/zinc/92/65/81/438926581.db2.gz AQMJHEQIZNHCAG-WCBMZHEXSA-N 0 3 338.751 0.632 20 5 ECBDHN Nc1nc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)ncc1[N+](=O)[O-] ZINC000596422158 438959739 /nfs/dbraw/zinc/95/97/39/438959739.db2.gz BLSVRDKXPLETJK-CYBMUJFWSA-N 0 3 344.375 0.568 20 5 ECBDHN N[C@H]1C[C@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000579129084 438982380 /nfs/dbraw/zinc/98/23/80/438982380.db2.gz DWAXKODINJHQJZ-KBPBESRZSA-N 0 3 347.375 0.091 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000579129095 438983449 /nfs/dbraw/zinc/98/34/49/438983449.db2.gz DWAXKODINJHQJZ-ZIAGYGMSSA-N 0 3 347.375 0.091 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H]1COC[C@H]1OC ZINC000459834585 439012390 /nfs/dbraw/zinc/01/23/90/439012390.db2.gz WMXZYMMUYZWRMM-GXTWGEPZSA-N 0 3 339.348 0.935 20 5 ECBDHN COc1ccc(NC(=O)CCN[C@H]2COC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000459835973 439012806 /nfs/dbraw/zinc/01/28/06/439012806.db2.gz YRDPXIKOSNMCCF-GXTWGEPZSA-N 0 3 339.348 0.935 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000591902978 439108549 /nfs/dbraw/zinc/10/85/49/439108549.db2.gz GWWRPOJJGAZNQT-LBPRGKRZSA-N 0 3 349.391 0.856 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H]2CCCS2(=O)=O)c1 ZINC000566556673 439070819 /nfs/dbraw/zinc/07/08/19/439070819.db2.gz KNKNWSZEFQZGBY-OCCSQVGLSA-N 0 3 344.389 0.501 20 5 ECBDHN CC(C)(CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000591749652 439080823 /nfs/dbraw/zinc/08/08/23/439080823.db2.gz GTVHQIURZOQAGN-LBPRGKRZSA-N 0 3 346.405 0.747 20 5 ECBDHN CO[C@@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000591760169 439082917 /nfs/dbraw/zinc/08/29/17/439082917.db2.gz UEAVVSLVLXCRFZ-CQSZACIVSA-N 0 3 344.389 0.764 20 5 ECBDHN O=C(NCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccn[nH]1 ZINC000591758747 439082963 /nfs/dbraw/zinc/08/29/63/439082963.db2.gz DKGCEATYMSXVIU-LLVKDONJSA-N 0 3 349.347 0.077 20 5 ECBDHN COc1cc(C(=O)NC[C@H]2CNCCO2)cc([N+](=O)[O-])c1OC ZINC000521611773 439125093 /nfs/dbraw/zinc/12/50/93/439125093.db2.gz UMPBXZFFZJYGIM-SNVBAGLBSA-N 0 3 325.321 0.330 20 5 ECBDHN COC(=O)c1cc(C(=O)N2CCN(C)C[C@H]2CN)cc([N+](=O)[O-])c1 ZINC000592308221 439199873 /nfs/dbraw/zinc/19/98/73/439199873.db2.gz CAEGZDYNQMFLEG-CYBMUJFWSA-N 0 3 336.348 0.096 20 5 ECBDHN COC(=O)c1ccnc(NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000598590831 439282879 /nfs/dbraw/zinc/28/28/79/439282879.db2.gz UJZRUQGATXIUET-UHFFFAOYSA-N 0 3 338.364 1.035 20 5 ECBDHN O=[N+]([O-])c1c(N2CC[C@@H](N3CCCC3)C2)ncnc1N1CCOCC1 ZINC000598592851 439283333 /nfs/dbraw/zinc/28/33/33/439283333.db2.gz MGPJFBNXRWDGFO-CYBMUJFWSA-N 0 3 348.407 0.896 20 5 ECBDHN Cc1ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000598185193 439238128 /nfs/dbraw/zinc/23/81/28/439238128.db2.gz HLNZIWMBOQCNCE-UHFFFAOYSA-N 0 3 336.392 0.995 20 5 ECBDHN O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000582300218 439317253 /nfs/dbraw/zinc/31/72/53/439317253.db2.gz LPBBLXCDLRBRAG-UHFFFAOYSA-N 0 3 344.331 0.752 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000598869032 439322178 /nfs/dbraw/zinc/32/21/78/439322178.db2.gz VKXSOAMRAPFOHD-UHFFFAOYSA-N 0 3 336.392 0.995 20 5 ECBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915739 439326448 /nfs/dbraw/zinc/32/64/48/439326448.db2.gz NSVKYCPYVRPCFW-JOYOIKCWSA-N 0 3 336.348 0.763 20 5 ECBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915737 439326952 /nfs/dbraw/zinc/32/69/52/439326952.db2.gz NSVKYCPYVRPCFW-BXKDBHETSA-N 0 3 336.348 0.763 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000592882392 439297014 /nfs/dbraw/zinc/29/70/14/439297014.db2.gz XDPXYYIOGTUGIA-GFCCVEGCSA-N 0 3 334.376 0.716 20 5 ECBDHN C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000598665186 439300658 /nfs/dbraw/zinc/30/06/58/439300658.db2.gz LTEYJVVQEKSUTM-GHMZBOCLSA-N 0 3 335.364 0.925 20 5 ECBDHN CC[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000599178501 439373887 /nfs/dbraw/zinc/37/38/87/439373887.db2.gz IEWZDRGMMIZWFQ-NWDGAFQWSA-N 0 3 336.396 0.798 20 5 ECBDHN CCCN1CCC(N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599218902 439388007 /nfs/dbraw/zinc/38/80/07/439388007.db2.gz RJEOHTSPEQAXQM-UHFFFAOYSA-N 0 3 345.425 0.823 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN(C)C[C@H]1CN ZINC000583133215 439423247 /nfs/dbraw/zinc/42/32/47/439423247.db2.gz ZYKOUPUTCUWQEZ-CYBMUJFWSA-N 0 3 337.380 0.388 20 5 ECBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCN4C[C@H](O)C[C@H]4C3)n2)cc1 ZINC000594025412 439510532 /nfs/dbraw/zinc/51/05/32/439510532.db2.gz KERRZXLZHSABFN-UONOGXRCSA-N 0 3 345.359 0.896 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CN)C(F)(F)F ZINC000594451643 439563369 /nfs/dbraw/zinc/56/33/69/439563369.db2.gz PXWZVJXKCLYCPY-XVKPBYJWSA-N 0 3 348.281 0.719 20 5 ECBDHN Cc1ccc(NC(=O)C(=O)N[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594533841 439575395 /nfs/dbraw/zinc/57/53/95/439575395.db2.gz QMJJQTGPRONARF-SECBINFHSA-N 0 3 334.254 0.848 20 5 ECBDHN CCC(=O)N1CC[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000572393696 439579426 /nfs/dbraw/zinc/57/94/26/439579426.db2.gz ULXIGTOBGBAGGV-OLZOCXBDSA-N 0 3 337.376 0.935 20 5 ECBDHN CN1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H](CN)C1 ZINC000572600163 439595073 /nfs/dbraw/zinc/59/50/73/439595073.db2.gz CTWGGCREAUWQJB-LBPRGKRZSA-N 0 3 344.375 0.495 20 5 ECBDHN C[C@@H]1C[C@@H]1N1C[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715069 439609750 /nfs/dbraw/zinc/60/97/50/439609750.db2.gz DOALOQQSSVJSDS-FIRUKDTASA-N 0 3 349.387 0.933 20 5 ECBDHN C[C@@H]1C[C@@H]1N1C[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715071 439610543 /nfs/dbraw/zinc/61/05/43/439610543.db2.gz DOALOQQSSVJSDS-NCZKRNLISA-N 0 3 349.387 0.933 20 5 ECBDHN CCc1n[nH]c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000610913468 439658322 /nfs/dbraw/zinc/65/83/22/439658322.db2.gz YKMROIVCNGLLLK-LLVKDONJSA-N 0 3 337.380 0.863 20 5 ECBDHN COC1CCN(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610573020 439627393 /nfs/dbraw/zinc/62/73/93/439627393.db2.gz KNQNMOYJTWBGBC-UHFFFAOYSA-N 0 3 325.369 0.408 20 5 ECBDHN CC(C)c1n[nH]c(C(=O)NCC2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000340275107 321034205 /nfs/dbraw/zinc/03/42/05/321034205.db2.gz CNGXRPNWQGJTHP-UHFFFAOYSA-N 0 3 339.396 0.875 20 5 ECBDHN CN(C)C[C@@H](O)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353499837 321395571 /nfs/dbraw/zinc/39/55/71/321395571.db2.gz DOGLEGLURRNEPB-GJZGRUSLSA-N 0 3 333.392 0.930 20 5 ECBDHN CN(C)C[C@@H](O)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353504161 321396052 /nfs/dbraw/zinc/39/60/52/321396052.db2.gz QKEYAMKXGJGLLJ-LSDHHAIUSA-N 0 3 333.392 0.930 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000560564776 322247108 /nfs/dbraw/zinc/24/71/08/322247108.db2.gz WAGFFHDOJVYYIZ-SNVBAGLBSA-N 0 3 338.364 0.400 20 5 ECBDHN CC(=O)Nc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000562988051 322291212 /nfs/dbraw/zinc/29/12/12/322291212.db2.gz LGTGZQLBQKFYRQ-OAHLLOKOSA-N 0 3 333.348 0.900 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000566495824 322538448 /nfs/dbraw/zinc/53/84/48/322538448.db2.gz KSSOBJRANRMIAO-MFKMUULPSA-N 0 3 348.359 0.378 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000571344929 322718589 /nfs/dbraw/zinc/71/85/89/322718589.db2.gz XWEWYTGCMWZQNA-NWDGAFQWSA-N 0 3 338.751 0.632 20 5 ECBDHN CCc1nn(C)c(CC)c1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574393316 322778346 /nfs/dbraw/zinc/77/83/46/322778346.db2.gz UATGCTNRQAIRHL-LBPRGKRZSA-N 0 3 336.396 0.800 20 5 ECBDHN CCN1CCN(C[C@H](C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000264935835 535712783 /nfs/dbraw/zinc/71/27/83/535712783.db2.gz UJSWZUSTFGIWEQ-CYBMUJFWSA-N 0 3 338.412 0.181 20 5 ECBDHN COC(=O)c1ccc(S(=O)(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000420405206 546212067 /nfs/dbraw/zinc/21/20/67/546212067.db2.gz OMXVQMBBKVTTKC-UHFFFAOYSA-N 0 3 343.361 0.365 20 5 ECBDHN Cc1n[nH]c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000733158294 578332966 /nfs/dbraw/zinc/33/29/66/578332966.db2.gz MDXZWACGCXVBRJ-GFCCVEGCSA-N 0 3 337.380 1.000 20 5 ECBDHN C[C@@H](OC(=O)C1CCN(C)C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000772529507 579209514 /nfs/dbraw/zinc/20/95/14/579209514.db2.gz CWSHVUYFXHQYKL-BXKDBHETSA-N 0 3 335.316 0.943 20 5 ECBDHN COc1ccc([C@@H](O)CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000743259675 579796059 /nfs/dbraw/zinc/79/60/59/579796059.db2.gz JUKOYLCUBHSMJX-HIFRSBDPSA-N 0 3 336.348 0.484 20 5 ECBDHN CN1C[C@@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896912747 586277502 /nfs/dbraw/zinc/27/75/02/586277502.db2.gz FZNBICPZKZUEHA-WBMJQRKESA-N 0 3 348.407 0.609 20 5 ECBDHN Cn1cc([C@H](O)CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000843092299 589050476 /nfs/dbraw/zinc/05/04/76/589050476.db2.gz NPATVMGCMSEJBL-UKRRQHHQSA-N 0 3 336.348 0.391 20 5 ECBDHN CNS(=O)(=O)c1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813104246 587248165 /nfs/dbraw/zinc/24/81/65/587248165.db2.gz KTFKWSKVDAHMMO-JTQLQIEISA-N 0 3 330.362 0.736 20 5 ECBDHN CC(COC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)[N+](=O)[O-] ZINC000813109514 587248342 /nfs/dbraw/zinc/24/83/42/587248342.db2.gz KIQISXCAQOMEOZ-SECBINFHSA-N 0 3 328.346 0.831 20 5 ECBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)[N+](=O)[O-] ZINC000813114118 587248751 /nfs/dbraw/zinc/24/87/51/587248751.db2.gz MKLMTZHEELBCNK-SECBINFHSA-N 0 3 348.333 0.123 20 5 ECBDHN CC(COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[N+](=O)[O-] ZINC000813113498 587248907 /nfs/dbraw/zinc/24/89/07/587248907.db2.gz QZCQYTFIRMFHFV-ZETCQYMHSA-N 0 3 332.290 0.820 20 5 ECBDHN CC(COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813115284 587248944 /nfs/dbraw/zinc/24/89/44/587248944.db2.gz OGYHBNMQNSWVSL-SSDOTTSWSA-N 0 3 332.290 0.820 20 5 ECBDHN COC(=O)c1cc(-c2nc(N3CCNCC3)no2)cc([N+](=O)[O-])c1 ZINC000823330825 587716880 /nfs/dbraw/zinc/71/68/80/587716880.db2.gz VSFXGOIZKVVHSS-UHFFFAOYSA-N 0 3 333.304 0.841 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@]2(O)CCN(C)C2)c1F ZINC000832208199 588474844 /nfs/dbraw/zinc/47/48/44/588474844.db2.gz ZTVQFIUODPTRAP-CQSZACIVSA-N 0 3 329.303 0.978 20 5 ECBDHN CC([C@@H](OC(=O)Cn1ncn(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845876691 589173817 /nfs/dbraw/zinc/17/38/17/589173817.db2.gz NVSGVSRQHGGDMI-TVQRCGJNSA-N 0 3 338.295 0.671 20 5 ECBDHN COc1cc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000850593311 589370171 /nfs/dbraw/zinc/37/01/71/589370171.db2.gz LQGFOTOYKNOLGZ-NXEZZACHSA-N 0 3 333.341 0.663 20 5 ECBDHN Cc1ccc(NCCCNC(=O)C2=NO[C@H](CN)C2)c([N+](=O)[O-])c1 ZINC000852846086 589517253 /nfs/dbraw/zinc/51/72/53/589517253.db2.gz QLEVEYBOGJZNOF-NSHDSACASA-N 0 3 335.364 0.925 20 5 ECBDHN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861716556 589879126 /nfs/dbraw/zinc/87/91/26/589879126.db2.gz RPWWGPNYHSGUII-QLFBSQMISA-N 0 3 335.360 0.296 20 5 ECBDHN CS[C@@H]1CN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000935113874 611843946 /nfs/dbraw/zinc/84/39/46/611843946.db2.gz QUDVYJFKIZMWQV-GHMZBOCLSA-N 0 3 327.410 0.604 20 5 ECBDHN O=C(Cc1nc[nH]n1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022953516 736311901 /nfs/dbraw/zinc/31/19/01/736311901.db2.gz RWXCMIJNGKYGGX-TXEJJXNPSA-N 0 3 330.348 0.692 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000996900194 743009061 /nfs/dbraw/zinc/00/90/61/743009061.db2.gz MWVRZWACQWXTTP-IMRBUKKESA-N 0 3 349.391 0.301 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC000997126168 743265103 /nfs/dbraw/zinc/26/51/03/743265103.db2.gz NUVCDRUIPOKBPC-UHFFFAOYSA-N 0 3 347.379 0.375 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2cocn2)C1 ZINC000983315540 755170759 /nfs/dbraw/zinc/17/07/59/755170759.db2.gz WFJXMZFEWGQNCF-MGCOHNPYSA-N 0 3 334.336 0.615 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000990503702 755290979 /nfs/dbraw/zinc/29/09/79/755290979.db2.gz HNIFROAFQIALAK-UHFFFAOYSA-N 0 3 347.379 0.375 20 5 ECBDHN CC(C)N(C)CC(=O)NC/C=C\CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107234326 757977840 /nfs/dbraw/zinc/97/78/40/757977840.db2.gz YRKQJXGAMTTXDU-PLNGDYQASA-N 0 3 337.384 0.392 20 5 ECBDHN Cn1ccnc1CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050516496 760411423 /nfs/dbraw/zinc/41/14/23/760411423.db2.gz DDPSRLMSKHBMJS-CHWSQXEVSA-N 0 3 333.392 0.510 20 5 ECBDHN NC(=O)C(=O)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001050641006 760615774 /nfs/dbraw/zinc/61/57/74/760615774.db2.gz MIXOPHZNAJFIAF-UHFFFAOYSA-N 0 3 332.360 0.505 20 5 ECBDHN NC(=O)CC(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048734584 761071644 /nfs/dbraw/zinc/07/16/44/761071644.db2.gz URASPWXSQDECFO-BETUJISGSA-N 0 3 332.360 0.360 20 5 ECBDHN Cn1nccc1CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001017544196 768099322 /nfs/dbraw/zinc/09/93/22/768099322.db2.gz NCAVPGGWLXWKGE-LXTVHRRPSA-N 0 3 333.392 0.303 20 5 ECBDHN Cc1cncn1CC(=O)N[C@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001020397093 772540678 /nfs/dbraw/zinc/54/06/78/772540678.db2.gz RDSKGZNBINXVNN-HAQNSBGRSA-N 0 3 347.379 0.270 20 5 ECBDHN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428544805 210267016 /nfs/dbraw/zinc/26/70/16/210267016.db2.gz KGHAWGCHRDXGEX-ZDUSSCGKSA-N 0 3 346.347 0.392 20 5 ECBDHN CC[C@@H](COC)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178006694 529519495 /nfs/dbraw/zinc/51/94/95/529519495.db2.gz FROHARPEKICJAA-NSHDSACASA-N 0 3 331.394 0.888 20 5 ECBDHN C[C@@H]1OCC[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178683839 232374031 /nfs/dbraw/zinc/37/40/31/232374031.db2.gz JYBPHYLIBLYVAP-GWCFXTLKSA-N 0 3 329.378 0.640 20 5 ECBDHN CN1CCC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000072727948 216300629 /nfs/dbraw/zinc/30/06/29/216300629.db2.gz GHLYBYPNHYACNF-UHFFFAOYSA-N 0 3 330.348 1.000 20 5 ECBDHN Cc1cnn([C@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000246845483 243324288 /nfs/dbraw/zinc/32/42/88/243324288.db2.gz ZJNMPWZMHVLEGE-DZGCQCFKSA-N 0 3 334.380 0.994 20 5 ECBDHN COCCN(C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000263804054 245697275 /nfs/dbraw/zinc/69/72/75/245697275.db2.gz WVTOYIPMWXNBNW-UHFFFAOYSA-N 0 3 340.380 0.981 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCN1CCCO ZINC000452352596 211482195 /nfs/dbraw/zinc/48/21/95/211482195.db2.gz SCBIDDNLYVTRIE-CQSZACIVSA-N 0 3 337.376 0.937 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000153027292 224048038 /nfs/dbraw/zinc/04/80/38/224048038.db2.gz AUUQQUREDNKHOL-HNNXBMFYSA-N 0 3 348.363 0.218 20 5 ECBDHN NC(=O)[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000411977253 208182393 /nfs/dbraw/zinc/18/23/93/208182393.db2.gz JUTDEHOLJKFDAE-LSDHHAIUSA-N 0 3 329.360 0.992 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413476886 208332453 /nfs/dbraw/zinc/33/24/53/208332453.db2.gz FVUQRECRZQYDMF-UHFFFAOYSA-N 0 3 338.412 0.537 20 5 ECBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCNCC1 ZINC000430643408 210394398 /nfs/dbraw/zinc/39/43/98/210394398.db2.gz LSWGSFSGCIKNJJ-UHFFFAOYSA-N 0 3 349.391 0.287 20 5 ECBDHN COc1ccc(C(=O)NCC(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000299236264 296851984 /nfs/dbraw/zinc/85/19/84/296851984.db2.gz HBHHTUUMXOXFIB-SNVBAGLBSA-N 0 3 338.364 0.400 20 5 ECBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](C)C1 ZINC000250283285 165206053 /nfs/dbraw/zinc/20/60/53/165206053.db2.gz ITBJARPKCWUNIX-CHWSQXEVSA-N 0 3 336.392 0.993 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CNCCO2)cc1C ZINC000261824857 165249776 /nfs/dbraw/zinc/24/97/76/165249776.db2.gz AWZLFSILYPGOQA-LLVKDONJSA-N 0 3 329.378 0.478 20 5 ECBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H]1N(C)C ZINC000270376129 263238123 /nfs/dbraw/zinc/23/81/23/263238123.db2.gz OBKBHFSEPHRPMZ-GHMZBOCLSA-N 0 3 325.394 0.571 20 5 ECBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H]1N(C)C ZINC000270376137 263238329 /nfs/dbraw/zinc/23/83/29/263238329.db2.gz OBKBHFSEPHRPMZ-WDEREUQCSA-N 0 3 325.394 0.571 20 5 ECBDHN CS[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1N(C)C ZINC000270451211 263243079 /nfs/dbraw/zinc/24/30/79/263243079.db2.gz JJEPWEHZMIYXPI-NWDGAFQWSA-N 0 3 341.437 0.994 20 5 ECBDHN O=C1NC(=O)C2(CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000270557924 263251496 /nfs/dbraw/zinc/25/14/96/263251496.db2.gz WMHIAVOPSQUCSE-UHFFFAOYSA-N 0 3 334.332 0.648 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](NC(N)=O)C1 ZINC000270693086 263263446 /nfs/dbraw/zinc/26/34/46/263263446.db2.gz WOPMWXQKBOGYGZ-NSHDSACASA-N 0 3 335.364 0.974 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000359705097 299881238 /nfs/dbraw/zinc/88/12/38/299881238.db2.gz HRZJWZBAGQZFFJ-HIFRSBDPSA-N 0 3 340.380 0.422 20 5 ECBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCNc1ccncc1 ZINC000338076955 297239182 /nfs/dbraw/zinc/23/91/82/297239182.db2.gz LNOGBBGZSJFMIQ-UHFFFAOYSA-N 0 3 343.343 0.370 20 5 ECBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCCN2CCN(C)CC2)c1 ZINC000339120299 297320694 /nfs/dbraw/zinc/32/06/94/297320694.db2.gz NILLPVKCOJXLRN-UHFFFAOYSA-N 0 3 338.364 0.181 20 5 ECBDHN Cc1ccc([C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)N(C)C)cc1 ZINC000343344436 297863488 /nfs/dbraw/zinc/86/34/88/297863488.db2.gz ZBEWFLFYXSICSZ-CYBMUJFWSA-N 0 3 332.364 0.914 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363192840 300253285 /nfs/dbraw/zinc/25/32/85/300253285.db2.gz OVXBYAXEGNWDLK-CHWSQXEVSA-N 0 3 334.376 0.986 20 5 ECBDHN CN1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC2)C1 ZINC000363870893 300301527 /nfs/dbraw/zinc/30/15/27/300301527.db2.gz XYKWWUYMXSMYDX-LBPRGKRZSA-N 0 3 348.407 0.424 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000374872745 301130717 /nfs/dbraw/zinc/13/07/17/301130717.db2.gz FHJONCPONDTXDQ-AWEZNQCLSA-N 0 3 336.440 0.930 20 5 ECBDHN NC(=O)c1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000375356086 301169447 /nfs/dbraw/zinc/16/94/47/301169447.db2.gz QDZBLSKKBMHMLQ-DOMZBBRYSA-N 0 3 332.360 0.841 20 5 ECBDHN COC1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000079683080 436303772 /nfs/dbraw/zinc/30/37/72/436303772.db2.gz WJKGLKZDROUAAL-UHFFFAOYSA-N 0 3 325.369 0.327 20 5 ECBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1NCCc2ccccc21 ZINC000522060998 301800366 /nfs/dbraw/zinc/80/03/66/301800366.db2.gz PXJWCOAPUIBVRT-AWEZNQCLSA-N 0 3 342.355 0.760 20 5 ECBDHN CC(C)N1CCN([C@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000530665364 302022197 /nfs/dbraw/zinc/02/21/97/302022197.db2.gz CWMSPLCYHFJQIJ-HNNXBMFYSA-N 0 3 336.440 0.892 20 5 ECBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)CCN(C)C)c1[N+](=O)[O-] ZINC000537519031 302151589 /nfs/dbraw/zinc/15/15/89/302151589.db2.gz YVQBBYVETWVJDY-UHFFFAOYSA-N 0 3 326.401 0.202 20 5 ECBDHN COc1ccc(CC(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000541528029 302185223 /nfs/dbraw/zinc/18/52/23/302185223.db2.gz IHFBZHFAZZOVKB-UHFFFAOYSA-N 0 3 325.365 0.840 20 5 ECBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)NCCN(C)C ZINC000552082335 302383714 /nfs/dbraw/zinc/38/37/14/302383714.db2.gz OPIMZJUEAGFWTK-SECBINFHSA-N 0 3 326.328 0.530 20 5 ECBDHN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000552308000 302390002 /nfs/dbraw/zinc/39/00/02/302390002.db2.gz CCNIBJUWGAQSMO-LLVKDONJSA-N 0 3 338.364 0.156 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000272506627 436719039 /nfs/dbraw/zinc/71/90/39/436719039.db2.gz FKXSESZSTZKHRA-UTUOFQBUSA-N 0 3 334.376 0.922 20 5 ECBDHN COc1cc(C(=O)NC[C@]2(O)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000568647580 302490880 /nfs/dbraw/zinc/49/08/80/302490880.db2.gz SXEYGBHKXMLZCN-INIZCTEOSA-N 0 3 335.360 0.790 20 5 ECBDHN COCC[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000124563221 436752674 /nfs/dbraw/zinc/75/26/74/436752674.db2.gz RQALNSYDHLLHGL-NSHDSACASA-N 0 3 331.394 0.888 20 5 ECBDHN C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000124547020 436753534 /nfs/dbraw/zinc/75/35/34/436753534.db2.gz WVNZOMAIEXFDQP-LBPRGKRZSA-N 0 3 336.396 0.995 20 5 ECBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000157098435 436824159 /nfs/dbraw/zinc/82/41/59/436824159.db2.gz NHYIYPOUDXUZQO-OCCSQVGLSA-N 0 3 334.376 0.699 20 5 ECBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@](C)(O)CN(C)C ZINC000161450453 436891786 /nfs/dbraw/zinc/89/17/86/436891786.db2.gz DIJKMTASAUWQQC-CYBMUJFWSA-N 0 3 331.394 0.494 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000295310162 436963824 /nfs/dbraw/zinc/96/38/24/436963824.db2.gz KVECCZOAXVTRAJ-MRVPVSSYSA-N 0 3 327.318 0.185 20 5 ECBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)CN(C)C ZINC000294054784 436930488 /nfs/dbraw/zinc/93/04/88/436930488.db2.gz GNFXEIDBKGDSAM-JTQLQIEISA-N 0 3 343.405 0.926 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275155500 436933016 /nfs/dbraw/zinc/93/30/16/436933016.db2.gz SXNLXLXVTNDBFC-ZYHUDNBSSA-N 0 3 339.421 0.980 20 5 ECBDHN CC(C)([NH3+])C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262777983 436942037 /nfs/dbraw/zinc/94/20/37/436942037.db2.gz XZLFOVGYGNRDAV-UHFFFAOYSA-N 0 3 331.350 0.382 20 5 ECBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCCNS(=O)(=O)N(C)C ZINC000298064046 437023341 /nfs/dbraw/zinc/02/33/41/437023341.db2.gz KJILTLKSNAPYDI-GFCCVEGCSA-N 0 3 344.437 0.902 20 5 ECBDHN COC(=O)CNC(=O)c1ccc(NC[C@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000298442583 437036672 /nfs/dbraw/zinc/03/66/72/437036672.db2.gz DDHUGRJFGZGHSZ-JTQLQIEISA-N 0 3 338.364 0.860 20 5 ECBDHN CN(C)CCN1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173128525 437040580 /nfs/dbraw/zinc/04/05/80/437040580.db2.gz DSZUAWIZHSKOEX-UHFFFAOYSA-N 0 3 349.435 0.737 20 5 ECBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299515673 437084999 /nfs/dbraw/zinc/08/49/99/437084999.db2.gz NVBVDPBBYOXBIM-CHWSQXEVSA-N 0 3 336.392 0.993 20 5 ECBDHN CN(CCCN1CCN(C)CC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000174716664 437085995 /nfs/dbraw/zinc/08/59/95/437085995.db2.gz UGJVCCQMQJKSOE-UHFFFAOYSA-N 0 3 349.435 0.763 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000176137562 437133315 /nfs/dbraw/zinc/13/33/15/437133315.db2.gz NOBKENHNJFGCEV-CHWSQXEVSA-N 0 3 339.396 0.797 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CCN(C)C)CC1 ZINC000277620503 437238944 /nfs/dbraw/zinc/23/89/44/437238944.db2.gz QYWVHWFPWRMPJX-UHFFFAOYSA-N 0 3 336.392 0.923 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000278455295 437313990 /nfs/dbraw/zinc/31/39/90/437313990.db2.gz IROLIXPKFMJZNZ-GFCCVEGCSA-N 0 3 339.396 0.717 20 5 ECBDHN CNC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337314047 437350889 /nfs/dbraw/zinc/35/08/89/437350889.db2.gz HOGRSVMCNRUQKS-LLVKDONJSA-N 0 3 335.364 0.927 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000182738657 437360968 /nfs/dbraw/zinc/36/09/68/437360968.db2.gz OKXGYKBDCSSCAQ-GHMZBOCLSA-N 0 3 339.396 0.798 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000182738657 437360970 /nfs/dbraw/zinc/36/09/70/437360970.db2.gz OKXGYKBDCSSCAQ-GHMZBOCLSA-N 0 3 339.396 0.798 20 5 ECBDHN CN(CCN(C)C1CC1)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000184785119 437409854 /nfs/dbraw/zinc/40/98/54/437409854.db2.gz CYEUHLJXQJMQIN-UHFFFAOYSA-N 0 3 328.394 0.773 20 5 ECBDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184732955 437410505 /nfs/dbraw/zinc/41/05/05/437410505.db2.gz ONNMPHZPQGUAIT-ZDUSSCGKSA-N 0 3 331.394 0.327 20 5 ECBDHN Cc1nc([C@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000268520726 437430730 /nfs/dbraw/zinc/43/07/30/437430730.db2.gz WLSKCFDAOHWNAB-WCQYABFASA-N 0 3 335.368 0.458 20 5 ECBDHN Cc1n[nH]c([C@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268520726 437430734 /nfs/dbraw/zinc/43/07/34/437430734.db2.gz WLSKCFDAOHWNAB-WCQYABFASA-N 0 3 335.368 0.458 20 5 ECBDHN CN(C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000185798809 437450668 /nfs/dbraw/zinc/45/06/68/437450668.db2.gz KHSZLYWRWOCKCH-UHFFFAOYSA-N 0 3 343.405 0.984 20 5 ECBDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000330612986 437567718 /nfs/dbraw/zinc/56/77/18/437567718.db2.gz RNBJSCNFXYDLBS-VXGBXAGGSA-N 0 3 331.398 0.241 20 5 ECBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCCNCC1 ZINC000423600513 437772088 /nfs/dbraw/zinc/77/20/88/437772088.db2.gz ASOXGFRXZXNZDP-UHFFFAOYSA-N 0 3 334.376 0.418 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCOC2(CNC2)C1 ZINC000415899478 437878000 /nfs/dbraw/zinc/87/80/00/437878000.db2.gz VCSYZMBIKFBYJW-UHFFFAOYSA-N 0 3 334.332 0.043 20 5 ECBDHN COC1CCN(C(C)(C)CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000347253478 437860029 /nfs/dbraw/zinc/86/00/29/437860029.db2.gz ITVNQGSQHCMQMR-UHFFFAOYSA-N 0 3 339.396 0.948 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000347428717 437888612 /nfs/dbraw/zinc/88/86/12/437888612.db2.gz MINIYLBZTWJCRR-TXEJJXNPSA-N 0 3 339.396 0.948 20 5 ECBDHN C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H]1CN ZINC000418923036 438250992 /nfs/dbraw/zinc/25/09/92/438250992.db2.gz LZNJQKBKSLEZKC-SWLSCSKDSA-N 0 3 348.403 0.839 20 5 ECBDHN COc1ccc(OCCN2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368639158 438358225 /nfs/dbraw/zinc/35/82/25/438358225.db2.gz SJXFVPUQESQMCF-RYUDHWBXSA-N 0 3 349.343 0.577 20 5 ECBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@H](O)C[C@H]1CO ZINC000352022995 438372743 /nfs/dbraw/zinc/37/27/43/438372743.db2.gz STFKPOYODNKEKV-NWDGAFQWSA-N 0 3 337.332 0.320 20 5 ECBDHN Cc1nc(C)n(C[C@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000369781332 438513733 /nfs/dbraw/zinc/51/37/33/438513733.db2.gz DCEFLSSYGFYLIU-HIFRSBDPSA-N 0 3 349.395 0.525 20 5 ECBDHN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN(C2CC2)C1 ZINC000452172074 438647150 /nfs/dbraw/zinc/64/71/50/438647150.db2.gz ULEIMZRJPXQCNI-LBPRGKRZSA-N 0 3 334.376 0.699 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCN1CCCO ZINC000452786380 438673188 /nfs/dbraw/zinc/67/31/88/438673188.db2.gz VAUALZCPURNCSL-CYBMUJFWSA-N 0 3 336.392 0.970 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000575936110 438761210 /nfs/dbraw/zinc/76/12/10/438761210.db2.gz LUWJTXMHSFPVRN-GXSJLCMTSA-N 0 3 338.751 0.632 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000588866689 438846256 /nfs/dbraw/zinc/84/62/56/438846256.db2.gz PWLFEVKGPGMPES-GFCCVEGCSA-N 0 3 333.348 0.433 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588863010 438846337 /nfs/dbraw/zinc/84/63/37/438846337.db2.gz NUMSCPMEDZWRNJ-QWHCGFSZSA-N 0 3 337.380 0.157 20 5 ECBDHN CCc1ccc(S(=O)(=O)NCCNCCOC)cc1[N+](=O)[O-] ZINC000564970130 438897164 /nfs/dbraw/zinc/89/71/64/438897164.db2.gz DDZOIGQDDSFJAJ-UHFFFAOYSA-N 0 3 331.394 0.672 20 5 ECBDHN CN1C[C@H]2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C1 ZINC000590011909 438897436 /nfs/dbraw/zinc/89/74/36/438897436.db2.gz MUZCOKDNWJRZIW-MFKMUULPSA-N 0 3 348.359 0.898 20 5 ECBDHN COc1c(F)cc(S(=O)(=O)[N-][C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596048939 438919203 /nfs/dbraw/zinc/91/92/03/438919203.db2.gz GJRNXVNJROVFSG-GFCCVEGCSA-N 0 3 333.341 0.773 20 5 ECBDHN CN1CCN(CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000517091458 438950867 /nfs/dbraw/zinc/95/08/67/438950867.db2.gz BKJQQEQDXZTOKT-UHFFFAOYSA-N 0 3 338.412 0.325 20 5 ECBDHN CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](CN)C1 ZINC000579474679 439011013 /nfs/dbraw/zinc/01/10/13/439011013.db2.gz IRSYZVNHSRBWQJ-GFCCVEGCSA-N 0 3 326.784 0.892 20 5 ECBDHN Cn1ncc2ccc(CNC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000566064331 439001063 /nfs/dbraw/zinc/00/10/63/439001063.db2.gz OMMMUMYXGFCLQC-CQSZACIVSA-N 0 3 330.348 0.829 20 5 ECBDHN CNc1ccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000519700392 439054074 /nfs/dbraw/zinc/05/40/74/439054074.db2.gz FHUMCLDREPMPBG-JTQLQIEISA-N 0 3 337.380 0.433 20 5 ECBDHN CC1(C)CN[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591672864 439056740 /nfs/dbraw/zinc/05/67/40/439056740.db2.gz PATKGJCZRGGKOR-CQSZACIVSA-N 0 3 346.387 0.877 20 5 ECBDHN Cn1cc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c([N+](=O)[O-])n1 ZINC000602485251 439098237 /nfs/dbraw/zinc/09/82/37/439098237.db2.gz QSRVEIPELFRXFW-ZDUSSCGKSA-N 0 3 336.396 0.067 20 5 ECBDHN CS(=O)(=O)C1(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591764030 439083316 /nfs/dbraw/zinc/08/33/16/439083316.db2.gz PYPPLRXAWZMECL-NSHDSACASA-N 0 3 344.389 0.501 20 5 ECBDHN N[C@H]1C[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CCN2C1=O ZINC000581022679 439161551 /nfs/dbraw/zinc/16/15/51/439161551.db2.gz DRGRRVZGVGIBLK-UWVGGRQHSA-N 0 3 328.332 0.286 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000581569463 439227975 /nfs/dbraw/zinc/22/79/75/439227975.db2.gz DPDHNPRODQKILT-OAHLLOKOSA-N 0 3 337.380 0.063 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2CCNCC2(C)C)ccc1[N+](=O)[O-] ZINC000592473431 439236003 /nfs/dbraw/zinc/23/60/03/439236003.db2.gz JMYUWYADAGECRH-UHFFFAOYSA-N 0 3 334.376 0.843 20 5 ECBDHN N[C@@H]1C[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)CCN2C1=O ZINC000568532494 439257740 /nfs/dbraw/zinc/25/77/40/439257740.db2.gz GYCFPJMJBURYTH-GXTWGEPZSA-N 0 3 327.344 0.891 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000582131290 439296856 /nfs/dbraw/zinc/29/68/56/439296856.db2.gz DALRLLAITWBPGB-NXEZZACHSA-N 0 3 325.394 0.690 20 5 ECBDHN COc1cc(CNCCN2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000599010202 439343694 /nfs/dbraw/zinc/34/36/94/439343694.db2.gz SHUDCNDYXBINJC-GFCCVEGCSA-N 0 3 325.365 0.768 20 5 ECBDHN Cc1c(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000583511821 439475582 /nfs/dbraw/zinc/47/55/82/439475582.db2.gz ZFGYGCAHMWSSFC-OLZOCXBDSA-N 0 3 347.375 0.357 20 5 ECBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594233877 439529837 /nfs/dbraw/zinc/52/98/37/439529837.db2.gz PFVPZDHAUDVRPS-LSDHHAIUSA-N 0 3 334.376 0.598 20 5 ECBDHN CN1CCC[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609257702 439555362 /nfs/dbraw/zinc/55/53/62/439555362.db2.gz ITCQHIRDMZKUPE-CYBMUJFWSA-N 0 3 349.391 0.604 20 5 ECBDHN COCCN1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000609269537 439560556 /nfs/dbraw/zinc/56/05/56/439560556.db2.gz SWIZVJAYIVBAJU-CYBMUJFWSA-N 0 3 339.396 0.717 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1CN1CCN3C[C@H](O)C[C@H]3C1)OCCO2 ZINC000594614674 439580631 /nfs/dbraw/zinc/58/06/31/439580631.db2.gz YUJDMLMIVYGIFO-QWHCGFSZSA-N 0 3 335.360 0.617 20 5 ECBDHN N[C@H]1C[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000594694851 439592106 /nfs/dbraw/zinc/59/21/06/439592106.db2.gz WEVKCAAZWCNOAB-JQWIXIFHSA-N 0 3 328.332 0.286 20 5 ECBDHN C[C@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000493069768 439599954 /nfs/dbraw/zinc/59/99/54/439599954.db2.gz JBKKHXNSQQBZDN-KRZKBDHCSA-N 0 3 334.376 0.791 20 5 ECBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000610767818 439645500 /nfs/dbraw/zinc/64/55/00/439645500.db2.gz LKIJKJVTUVSJGZ-CYBMUJFWSA-N 0 3 337.380 0.551 20 5 ECBDHN CC1(C)C(=O)N[C@H]1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000572982062 439622374 /nfs/dbraw/zinc/62/23/74/439622374.db2.gz JUUVCTLLWIKNNA-HNNXBMFYSA-N 0 3 348.403 0.993 20 5 ECBDHN Cc1nn(CCC(=O)NC[C@](C)(O)CCN(C)C)c(C)c1[N+](=O)[O-] ZINC000352125560 321350029 /nfs/dbraw/zinc/35/00/29/321350029.db2.gz JBLRHHQRZSTFIC-OAHLLOKOSA-N 0 3 341.412 0.617 20 5 ECBDHN CN(C)C[C@H](O)CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353504158 321395961 /nfs/dbraw/zinc/39/59/61/321395961.db2.gz QKEYAMKXGJGLLJ-CABCVRRESA-N 0 3 333.392 0.930 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000545885190 322111600 /nfs/dbraw/zinc/11/16/00/322111600.db2.gz PQNJVLHXLCUILC-OAHLLOKOSA-N 0 3 338.364 0.339 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563976866 322357042 /nfs/dbraw/zinc/35/70/42/322357042.db2.gz PMVGHDAZPXHGEG-VXGBXAGGSA-N 0 3 333.348 0.679 20 5 ECBDHN Cn1cc(C[C@@H](CO)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000564086362 322361285 /nfs/dbraw/zinc/36/12/85/322361285.db2.gz XQXKYNGBEPNPLU-ZDUSSCGKSA-N 0 3 347.375 0.850 20 5 ECBDHN COc1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000564209006 322365453 /nfs/dbraw/zinc/36/54/53/322365453.db2.gz GGAKHDZGVFXQSG-UHFFFAOYSA-N 0 3 347.335 0.383 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CO)CN2CCCC2)c1 ZINC000571283950 322716190 /nfs/dbraw/zinc/71/61/90/322716190.db2.gz ISNFVXOPGMZGQF-UKRRQHHQSA-N 0 3 339.392 0.381 20 5 ECBDHN CC(C)N1C[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000574982733 322788467 /nfs/dbraw/zinc/78/84/67/322788467.db2.gz JASUDCKNNZXUBH-STQMWFEESA-N 0 3 337.376 0.933 20 5 ECBDHN CNc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000577508595 322837560 /nfs/dbraw/zinc/83/75/60/322837560.db2.gz KEIBZPBEAVNJBS-WDEREUQCSA-N 0 3 333.348 0.021 20 5 ECBDHN CCCNC(=O)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159813318 528340176 /nfs/dbraw/zinc/34/01/76/528340176.db2.gz DEPBKGFKEUVARK-UHFFFAOYSA-N 0 3 336.392 0.995 20 5 ECBDHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266904459 536888685 /nfs/dbraw/zinc/88/86/85/536888685.db2.gz JHXTUIPZKYQRIP-CHWSQXEVSA-N 0 3 339.396 0.654 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000619253617 546311956 /nfs/dbraw/zinc/31/19/56/546311956.db2.gz BEJNFIIMNVMIJW-CQSZACIVSA-N 0 3 325.369 0.015 20 5 ECBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCOCCN(C)C ZINC000619496314 546334770 /nfs/dbraw/zinc/33/47/70/546334770.db2.gz RMXQLQAJAJKGBT-UHFFFAOYSA-N 0 3 347.393 0.460 20 5 ECBDHN COc1ccc(CNC2CC(NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000619747997 546365773 /nfs/dbraw/zinc/36/57/73/546365773.db2.gz NSMZANBHMGQSBZ-UHFFFAOYSA-N 0 3 329.378 0.773 20 5 ECBDHN COC(=O)C[C@]1(NCCn2cc([N+](=O)[O-])ccc2=O)CCCOC1 ZINC000770709543 579174555 /nfs/dbraw/zinc/17/45/55/579174555.db2.gz PRSLAYFOFXKNEH-OAHLLOKOSA-N 0 3 339.348 0.458 20 5 ECBDHN COc1ccc([C@H](O)CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000743259676 579796094 /nfs/dbraw/zinc/79/60/94/579796094.db2.gz JUKOYLCUBHSMJX-UKRRQHHQSA-N 0 3 336.348 0.484 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000808174708 587147476 /nfs/dbraw/zinc/14/74/76/587147476.db2.gz OHKKAOZOUGAMIB-HZMBPMFUSA-N 0 3 336.348 0.127 20 5 ECBDHN CC(COC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)[N+](=O)[O-] ZINC000813102740 587248138 /nfs/dbraw/zinc/24/81/38/587248138.db2.gz UMMUGXRSQCEPDK-SECBINFHSA-N 0 3 328.346 0.949 20 5 ECBDHN CON(C)S(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813106910 587248597 /nfs/dbraw/zinc/24/85/97/587248597.db2.gz HUCDLGSJYNDSOT-SECBINFHSA-N 0 3 332.334 0.691 20 5 ECBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(OC)c1OCC(N)=O ZINC000813114406 587248745 /nfs/dbraw/zinc/24/87/45/587248745.db2.gz APLBMADXALFISQ-QMMMGPOBSA-N 0 3 342.304 0.390 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccnc2-n2ccnc2)c1 ZINC000818947947 587461655 /nfs/dbraw/zinc/46/16/55/587461655.db2.gz VEPKZQUZGBHNFT-CQSZACIVSA-N 0 3 343.347 0.523 20 5 ECBDHN CCS(=O)(=O)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819010630 587464211 /nfs/dbraw/zinc/46/42/11/587464211.db2.gz IJBMXGYHCNRPCU-NSHDSACASA-N 0 3 332.378 0.359 20 5 ECBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819208884 587472164 /nfs/dbraw/zinc/47/21/64/587472164.db2.gz STDYKXLDBFULDE-ZNMIVQPWSA-N 0 3 337.376 0.854 20 5 ECBDHN CN(C)C(=O)[C@@H]1CC[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819208882 587472203 /nfs/dbraw/zinc/47/22/03/587472203.db2.gz STDYKXLDBFULDE-KFWWJZLASA-N 0 3 337.376 0.854 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000819822464 587492420 /nfs/dbraw/zinc/49/24/20/587492420.db2.gz BLKMYNNLCIUZIT-LBPRGKRZSA-N 0 3 336.392 0.847 20 5 ECBDHN O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000824302753 587866826 /nfs/dbraw/zinc/86/68/26/587866826.db2.gz DECYCEBJPLKEPC-JJXSEGSLSA-N 0 3 331.372 0.976 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1CN1C(C)C(=O)N(C)S1(=O)=O ZINC000829561461 588330127 /nfs/dbraw/zinc/33/01/27/588330127.db2.gz TXFZWCUODLCQKU-QMMMGPOBSA-N 0 3 329.334 0.511 20 5 ECBDHN O=C1CCc2cc([N+](=O)[O-])c(N3CCN4C[C@H](O)C[C@H]4C3)cc2N1 ZINC000848767127 589310192 /nfs/dbraw/zinc/31/01/92/589310192.db2.gz FDNQBSMOFXDGJD-NWDGAFQWSA-N 0 3 332.360 0.735 20 5 ECBDHN NC[C@H]1CC(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)=NO1 ZINC000852861074 589519034 /nfs/dbraw/zinc/51/90/34/589519034.db2.gz OBAFYMSMSCHWJH-CYBMUJFWSA-N 0 3 333.348 0.347 20 5 ECBDHN CON(C)C(=O)[C@@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000863587608 590025317 /nfs/dbraw/zinc/02/53/17/590025317.db2.gz ZOPPURIHHCLPFK-PWSUYJOCSA-N 0 3 327.337 0.332 20 5 ECBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000876471018 590378448 /nfs/dbraw/zinc/37/84/48/590378448.db2.gz KGMKJQUTEIJKFA-HNNXBMFYSA-N 0 3 340.380 0.353 20 5 ECBDHN CCn1ccc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)n1 ZINC001167635701 736186864 /nfs/dbraw/zinc/18/68/64/736186864.db2.gz NSWOXYYIBUQAJC-UHFFFAOYSA-N 0 3 335.368 0.454 20 5 ECBDHN Cc1n[nH]cc1C(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC000984499467 746519669 /nfs/dbraw/zinc/51/96/69/746519669.db2.gz VLJTYBBGGRHZEI-XYPYZODXSA-N 0 3 347.379 0.658 20 5 ECBDHN CN(C)C(=O)CC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001167803441 749158602 /nfs/dbraw/zinc/15/86/02/749158602.db2.gz SMSHZLKKKCAIGG-UHFFFAOYSA-N 0 3 328.394 0.731 20 5 ECBDHN CN(Cc1ncccn1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964545 750114637 /nfs/dbraw/zinc/11/46/37/750114637.db2.gz OEZYNHKDICXKJU-ZIAGYGMSSA-N 0 3 333.392 0.812 20 5 ECBDHN Cn1nc(C2CC2)nc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063852 758226258 /nfs/dbraw/zinc/22/62/58/758226258.db2.gz MTFUBBYCSABHEM-WRWGMCAJSA-N 0 3 334.380 0.095 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1(C)CCOCC1 ZINC001168459065 767541412 /nfs/dbraw/zinc/54/14/12/767541412.db2.gz YAARBNNDMMZTHT-UHFFFAOYSA-N 0 3 339.396 0.741 20 5 ECBDHN CNS(=O)(=O)CCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447595800 290758188 /nfs/dbraw/zinc/75/81/88/290758188.db2.gz ATXFCLNSLAINGL-WDEREUQCSA-N 0 3 331.398 0.414 20 5 ECBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)CN1CCN(C)CC1 ZINC000184403405 235388868 /nfs/dbraw/zinc/38/88/68/235388868.db2.gz NSFHBONQGGNWRT-LBPRGKRZSA-N 0 3 335.408 0.790 20 5 ECBDHN CCN1CC[C@@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)[C@@H]2C1 ZINC000355345236 299241612 /nfs/dbraw/zinc/24/16/12/299241612.db2.gz MZWPJADGNPZICV-OLZOCXBDSA-N 0 3 337.380 0.421 20 5 ECBDHN C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1 ZINC000356366630 299381564 /nfs/dbraw/zinc/38/15/64/299381564.db2.gz LIVMYAFTUQFNHI-QWRGUYRKSA-N 0 3 348.359 0.529 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCCN1CCN(C)CC1 ZINC000110865260 220073145 /nfs/dbraw/zinc/07/31/45/220073145.db2.gz GDBVVTKHIRJJHR-UHFFFAOYSA-N 0 3 338.412 0.196 20 5 ECBDHN COc1cc(C(=O)NC[C@](C)(O)CN(C)C)cc([N+](=O)[O-])c1C ZINC000189721190 165014452 /nfs/dbraw/zinc/01/44/52/165014452.db2.gz CUULWUJTNVTONH-HNNXBMFYSA-N 0 3 325.365 0.954 20 5 ECBDHN C[C@H]1NCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H]1C ZINC000262744045 165380660 /nfs/dbraw/zinc/38/06/60/165380660.db2.gz JIQZEOSFJXBKDG-GHMZBOCLSA-N 0 3 330.348 0.998 20 5 ECBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000184313456 263158522 /nfs/dbraw/zinc/15/85/22/263158522.db2.gz OMXQVJCCVZMZLS-ZDUSSCGKSA-N 0 3 338.412 0.324 20 5 ECBDHN O=C(CNC[C@@H]1CCCO1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237892229 263175206 /nfs/dbraw/zinc/17/52/06/263175206.db2.gz KHHXGRCDYZFEKD-JSGCOSHPSA-N 0 3 349.391 0.771 20 5 ECBDHN CN(C)CCOc1cc(CNc2ncc([N+](=O)[O-])c(N)n2)ccn1 ZINC000270702652 263264903 /nfs/dbraw/zinc/26/49/03/263264903.db2.gz IYYFBBVRFGTNOQ-UHFFFAOYSA-N 0 3 333.352 0.915 20 5 ECBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCN1CCC(O)CC1 ZINC000283911564 264167305 /nfs/dbraw/zinc/16/73/05/264167305.db2.gz JPVCFFARSVTBCG-UHFFFAOYSA-N 0 3 340.355 0.893 20 5 ECBDHN CN1CC[C@@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285105576 264278429 /nfs/dbraw/zinc/27/84/29/264278429.db2.gz UKTUWUSOQWGHBI-GJZGRUSLSA-N 0 3 334.376 0.938 20 5 ECBDHN COC(=O)C1CCN(CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285319738 264301871 /nfs/dbraw/zinc/30/18/71/264301871.db2.gz XPZYYKWKHDPPJY-UHFFFAOYSA-N 0 3 339.352 0.323 20 5 ECBDHN CN(C)S(=O)(=O)NCCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000291519807 264706024 /nfs/dbraw/zinc/70/60/24/264706024.db2.gz YXXZRQXTULHPLY-FNORWQNLSA-N 0 3 328.394 0.594 20 5 ECBDHN Cc1c([C@H]2OCC[C@@H]2NCCn2cc([N+](=O)[O-])ccc2=O)cnn1C ZINC000431976513 280257884 /nfs/dbraw/zinc/25/78/84/280257884.db2.gz DUWHFVNEGABNDS-GOEBONIOSA-N 0 3 347.375 0.918 20 5 ECBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000344461001 298023954 /nfs/dbraw/zinc/02/39/54/298023954.db2.gz NEMWYXPIUZWROU-UHFFFAOYSA-N 0 3 337.380 0.595 20 5 ECBDHN C[C@H]1[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCCN1C ZINC000344603114 298041229 /nfs/dbraw/zinc/04/12/29/298041229.db2.gz QBVHEKOYAXAONF-FZMZJTMJSA-N 0 3 334.376 0.924 20 5 ECBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000345264740 298137100 /nfs/dbraw/zinc/13/71/00/298137100.db2.gz KADCTFUFVCXMSJ-UHFFFAOYSA-N 0 3 338.364 0.222 20 5 ECBDHN CN(C)CCN(C)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000346212481 298239018 /nfs/dbraw/zinc/23/90/18/298239018.db2.gz DSMHZMGROZARBH-UHFFFAOYSA-N 0 3 348.359 0.882 20 5 ECBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000370058897 300791591 /nfs/dbraw/zinc/79/15/91/300791591.db2.gz CJAQHBCHSDABCA-AWEZNQCLSA-N 0 3 339.396 0.121 20 5 ECBDHN CCN1CCN(CCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000042590082 436309090 /nfs/dbraw/zinc/30/90/90/436309090.db2.gz LZTPITFKQBTAFS-UHFFFAOYSA-N 0 3 336.392 0.727 20 5 ECBDHN COC[C@@]1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC[NH2+]1 ZINC000520406514 301770914 /nfs/dbraw/zinc/77/09/14/301770914.db2.gz JNRAFBMYQCQXLF-LBPRGKRZSA-N 0 3 330.366 0.037 20 5 ECBDHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104102433 436557712 /nfs/dbraw/zinc/55/77/12/436557712.db2.gz INQMKSPJNWYVDO-UHFFFAOYSA-N 0 3 344.437 0.709 20 5 ECBDHN CN(C)CCOCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000543392266 302212638 /nfs/dbraw/zinc/21/26/38/302212638.db2.gz KTJMFIITOHBZAK-UHFFFAOYSA-N 0 3 339.348 0.674 20 5 ECBDHN Cc1c(CC(=O)N[C@@H](C)C(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000552082516 302383906 /nfs/dbraw/zinc/38/39/06/302383906.db2.gz UYDAWPNGMAMDSY-LBPRGKRZSA-N 0 3 336.392 0.628 20 5 ECBDHN C[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000195297713 436687384 /nfs/dbraw/zinc/68/73/84/436687384.db2.gz FKLNYGDCDKWRPS-ZCFIWIBFSA-N 0 3 338.183 0.983 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000120621261 436693170 /nfs/dbraw/zinc/69/31/70/436693170.db2.gz LMINDBOHLMQJNW-INIZCTEOSA-N 0 3 347.375 0.823 20 5 ECBDHN CN1CCN(c2ncccc2CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000120757574 436698379 /nfs/dbraw/zinc/69/83/79/436698379.db2.gz MRWBUMDUAITJNJ-UHFFFAOYSA-N 0 3 345.363 0.395 20 5 ECBDHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000557307764 302459170 /nfs/dbraw/zinc/45/91/70/302459170.db2.gz ZPUGISHOHCBJLF-CYBMUJFWSA-N 0 3 348.403 0.969 20 5 ECBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(S(N)(=O)=O)c1 ZINC000272868247 436723844 /nfs/dbraw/zinc/72/38/44/436723844.db2.gz SBKSHKZFCVPYQA-SNVBAGLBSA-N 0 3 339.377 0.790 20 5 ECBDHN COCCNCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237338287 436730792 /nfs/dbraw/zinc/73/07/92/436730792.db2.gz HJQSLNUUFKNILY-UHFFFAOYSA-N 0 3 333.348 0.746 20 5 ECBDHN Cc1nc(N2CC(N(C)C)C2)nc(N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000273346634 436748305 /nfs/dbraw/zinc/74/83/05/436748305.db2.gz UPNMSKGBERSNNP-UHFFFAOYSA-N 0 3 335.412 0.194 20 5 ECBDHN COc1cc(CN2C(C)C(=O)N(C)S2(=O)=O)c([N+](=O)[O-])cc1F ZINC000295411281 436966767 /nfs/dbraw/zinc/96/67/67/436966767.db2.gz SPOJWRYURNWXKE-SSDOTTSWSA-N 0 3 347.324 0.650 20 5 ECBDHN COCCN1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000264467074 437033238 /nfs/dbraw/zinc/03/32/38/437033238.db2.gz FRVXGMNPLNPXKY-GFCCVEGCSA-N 0 3 325.369 0.327 20 5 ECBDHN CN(CCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000296219991 436986246 /nfs/dbraw/zinc/98/62/46/436986246.db2.gz ADPCHMWHHTXIJK-UHFFFAOYSA-N 0 3 348.407 0.916 20 5 ECBDHN CCN(CCOCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000282100340 437009686 /nfs/dbraw/zinc/00/96/86/437009686.db2.gz PEURJTAEEZSGPX-CQSZACIVSA-N 0 3 328.365 0.665 20 5 ECBDHN COC(=O)CCN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCO1 ZINC000174864291 437088875 /nfs/dbraw/zinc/08/88/75/437088875.db2.gz VQYQERBMAPUACZ-ZDUSSCGKSA-N 0 3 326.353 0.835 20 5 ECBDHN CN1CCC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301210492 437114954 /nfs/dbraw/zinc/11/49/54/437114954.db2.gz SSQMNQOYAVFTDD-SNVBAGLBSA-N 0 3 328.394 0.996 20 5 ECBDHN COCCN(C)C[C@@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000326877935 437235156 /nfs/dbraw/zinc/23/51/56/437235156.db2.gz WPMXFIOQRYDVOB-GFCCVEGCSA-N 0 3 336.348 0.244 20 5 ECBDHN Cc1n[nH]c(C(=O)NCCCN2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000278347890 437305860 /nfs/dbraw/zinc/30/58/60/437305860.db2.gz AQORSSKKTWLPGJ-SNVBAGLBSA-N 0 3 325.369 0.857 20 5 ECBDHN NC(=O)c1ccc(CN2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000267010935 437277456 /nfs/dbraw/zinc/27/74/56/437277456.db2.gz MJCZJFDOCFKWBU-UHFFFAOYSA-N 0 3 348.403 0.990 20 5 ECBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](CO)CN1CCCCC1 ZINC000288134811 437284480 /nfs/dbraw/zinc/28/44/80/437284480.db2.gz BDJHWVRWZNROCC-LBPRGKRZSA-N 0 3 325.369 0.144 20 5 ECBDHN Cc1ccc(CN(CCO)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000181988484 437334899 /nfs/dbraw/zinc/33/48/99/437334899.db2.gz KIAKENVODWMAFF-INIZCTEOSA-N 0 3 334.376 0.955 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccn(CCN(C)C)n1 ZINC000338648137 437412162 /nfs/dbraw/zinc/41/21/62/437412162.db2.gz UWBNBANZWFFBFZ-UHFFFAOYSA-N 0 3 335.368 0.887 20 5 ECBDHN Cc1nc([C@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000268520724 437429930 /nfs/dbraw/zinc/42/99/30/437429930.db2.gz WLSKCFDAOHWNAB-AAEUAGOBSA-N 0 3 335.368 0.458 20 5 ECBDHN Cc1n[nH]c([C@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268520724 437429933 /nfs/dbraw/zinc/42/99/33/437429933.db2.gz WLSKCFDAOHWNAB-AAEUAGOBSA-N 0 3 335.368 0.458 20 5 ECBDHN Cc1nn(C)c(C(=O)NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000331261857 437728951 /nfs/dbraw/zinc/72/89/51/437728951.db2.gz CYHREEQUKVKAOG-UHFFFAOYSA-N 0 3 338.412 0.393 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1(N(C)C)CC1 ZINC000416286261 437901239 /nfs/dbraw/zinc/90/12/39/437901239.db2.gz AGKAAGYQLBNPOG-LLVKDONJSA-N 0 3 334.376 0.924 20 5 ECBDHN CC1(C)CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000357340545 437968176 /nfs/dbraw/zinc/96/81/76/437968176.db2.gz JHLAJUPFPCJRRO-UHFFFAOYSA-N 0 3 349.391 0.604 20 5 ECBDHN CC(C)CN1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000372185197 438046719 /nfs/dbraw/zinc/04/67/19/438046719.db2.gz INVIIMCAQNOQNK-UHFFFAOYSA-N 0 3 336.392 0.947 20 5 ECBDHN O=C(CCOC1CNC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000349031282 438127421 /nfs/dbraw/zinc/12/74/21/438127421.db2.gz UWXNFHFRSLZHPD-UHFFFAOYSA-N 0 3 334.376 0.622 20 5 ECBDHN COCCNCCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418081775 438106587 /nfs/dbraw/zinc/10/65/87/438106587.db2.gz HGXLFFFOQMREBW-UHFFFAOYSA-N 0 3 336.352 0.506 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000418952091 438261339 /nfs/dbraw/zinc/26/13/39/438261339.db2.gz VAWMPUJZGYNAKQ-GFCCVEGCSA-N 0 3 336.348 0.073 20 5 ECBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000351071304 438251028 /nfs/dbraw/zinc/25/10/28/438251028.db2.gz CKSJZPOASSMBLW-UHFFFAOYSA-N 0 3 349.391 0.947 20 5 ECBDHN Nc1nccc([C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000368455290 438331621 /nfs/dbraw/zinc/33/16/21/438331621.db2.gz OCHMDPOAUSZNAI-YPMHNXCESA-N 0 3 347.379 0.404 20 5 ECBDHN CCCc1n[nH]c(C(=O)NC[C@@](C)(O)CCN(C)C)c1[N+](=O)[O-] ZINC000352099346 438381271 /nfs/dbraw/zinc/38/12/71/438381271.db2.gz WQYXJTMZZMODFW-AWEZNQCLSA-N 0 3 327.385 0.703 20 5 ECBDHN O=C(CN[C@@H](CO)C1CCOCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000359856872 438511383 /nfs/dbraw/zinc/51/13/83/438511383.db2.gz CWACDSVKBDJDPO-HNNXBMFYSA-N 0 3 349.387 0.861 20 5 ECBDHN COC(=O)COc1ccc(CN[C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000353782418 438535832 /nfs/dbraw/zinc/53/58/32/438535832.db2.gz UWIUSTBMQFJRGN-LLVKDONJSA-N 0 3 337.332 0.515 20 5 ECBDHN CCO[C@@H]1COC[C@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451943102 438619658 /nfs/dbraw/zinc/61/96/58/438619658.db2.gz HJVXHRHACXKSCU-BPLDGKMQSA-N 0 3 326.349 0.728 20 5 ECBDHN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN(C2CC2)C1 ZINC000452172073 438646381 /nfs/dbraw/zinc/64/63/81/438646381.db2.gz ULEIMZRJPXQCNI-GFCCVEGCSA-N 0 3 334.376 0.699 20 5 ECBDHN COCCNCCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000423474660 438680820 /nfs/dbraw/zinc/68/08/20/438680820.db2.gz IJPFIEMDLZKJHW-UHFFFAOYSA-N 0 3 325.321 0.347 20 5 ECBDHN O=c1[nH]c(NC[C@H]2CCCN2CCCO)nc2ccc([N+](=O)[O-])cc12 ZINC000450596693 438692980 /nfs/dbraw/zinc/69/29/80/438692980.db2.gz NSZCEXCFFGJHPE-GFCCVEGCSA-N 0 3 347.375 1.502 20 5 ECBDHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000453922140 438700433 /nfs/dbraw/zinc/70/04/33/438700433.db2.gz UVKPMGVVXMQFDP-RNCFNFMXSA-N 0 3 336.323 0.835 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCOCCO)C1CCC1 ZINC000595595675 438831052 /nfs/dbraw/zinc/83/10/52/438831052.db2.gz KMIONPIAVCRHHM-UHFFFAOYSA-N 0 3 325.365 0.620 20 5 ECBDHN COC(=O)[C@@H]1OCC[C@@H]1NCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000595661357 438840336 /nfs/dbraw/zinc/84/03/36/438840336.db2.gz HPJCZHYJAJJYEI-SMDDNHRTSA-N 0 3 340.332 0.902 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860520 438843317 /nfs/dbraw/zinc/84/33/17/438843317.db2.gz GRYZIXIVESCJFA-ZIAGYGMSSA-N 0 3 335.360 0.641 20 5 ECBDHN COc1ccc(OCCNC2(C(N)=O)CCOCC2)c([N+](=O)[O-])c1 ZINC000595728198 438848088 /nfs/dbraw/zinc/84/80/88/438848088.db2.gz LLVWVKOMAHGFCI-UHFFFAOYSA-N 0 3 339.348 0.606 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590281508 438907027 /nfs/dbraw/zinc/90/70/27/438907027.db2.gz OBLOSYUXCYARMA-ZWNOBZJWSA-N 0 3 348.359 0.704 20 5 ECBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@H]2CNCCO2)CC1 ZINC000595891762 438878019 /nfs/dbraw/zinc/87/80/19/438878019.db2.gz OCDSUBYFEGGHES-LLVKDONJSA-N 0 3 340.405 0.403 20 5 ECBDHN CN1CCC[C@@H](N2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC2)C1 ZINC000589573424 438878197 /nfs/dbraw/zinc/87/81/97/438878197.db2.gz KPNPGJJBAYAWFN-GFCCVEGCSA-N 0 3 348.407 0.305 20 5 ECBDHN CN1C(=O)CC[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000564855610 438879677 /nfs/dbraw/zinc/87/96/77/438879677.db2.gz CYFIDUPTYJOQOK-WCQYABFASA-N 0 3 337.332 0.072 20 5 ECBDHN CCN(CC)CC(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596108200 438925071 /nfs/dbraw/zinc/92/50/71/438925071.db2.gz QRZGSQXYSDYERN-UHFFFAOYSA-N 0 3 337.380 0.686 20 5 ECBDHN COc1cc(C(=O)N[C@H](C)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000565207318 438929096 /nfs/dbraw/zinc/92/90/96/438929096.db2.gz ICMXUWVFWHWIJS-SNVBAGLBSA-N 0 3 338.364 0.400 20 5 ECBDHN Nc1ccc(N2CCN([C@@H]3CCNC(=O)CC3)CC2)nc1[N+](=O)[O-] ZINC000596260422 438945893 /nfs/dbraw/zinc/94/58/93/438945893.db2.gz GXSMUIHSNBAKBH-NSHDSACASA-N 0 3 334.380 0.363 20 5 ECBDHN CN(C)CCN1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1=O ZINC000596289486 438950887 /nfs/dbraw/zinc/95/08/87/438950887.db2.gz CQLYEMKYGQAMDG-UHFFFAOYSA-N 0 3 327.772 0.853 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2COc3ccc(F)cc3C2)c1 ZINC000519594560 439042005 /nfs/dbraw/zinc/04/20/05/439042005.db2.gz HEKLGFHBJIKHNS-GXTWGEPZSA-N 0 3 336.323 0.885 20 5 ECBDHN CCN[C@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602453545 439089045 /nfs/dbraw/zinc/08/90/45/439089045.db2.gz HXOPQWFNROQITD-GFCCVEGCSA-N 0 3 334.376 0.877 20 5 ECBDHN CCN(C)C(=O)[C@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591763456 439082276 /nfs/dbraw/zinc/08/22/76/439082276.db2.gz HNIMSOAYBWIYSN-WCQYABFASA-N 0 3 325.365 0.791 20 5 ECBDHN CN1Cc2ccccc2[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591757253 439082459 /nfs/dbraw/zinc/08/24/59/439082459.db2.gz DYXJARLOVCQUIM-GOEBONIOSA-N 0 3 331.376 0.929 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)C[C@H]1CO ZINC000602904775 439158497 /nfs/dbraw/zinc/15/84/97/439158497.db2.gz LPZRTAOOLFOEJM-AWEZNQCLSA-N 0 3 336.392 0.840 20 5 ECBDHN COc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000568534260 439258401 /nfs/dbraw/zinc/25/84/01/439258401.db2.gz ZWFVOVWKYBRYMS-NEPJUHHUSA-N 0 3 348.359 0.296 20 5 ECBDHN CN1CCC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000604198266 439302923 /nfs/dbraw/zinc/30/29/23/439302923.db2.gz FAGBOLFZGAGMPH-ZDUSSCGKSA-N 0 3 334.376 0.925 20 5 ECBDHN C[NH2+]CCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599108272 439359680 /nfs/dbraw/zinc/35/96/80/439359680.db2.gz VEXYIJSTLAQYGO-UHFFFAOYSA-N 0 3 337.785 0.763 20 5 ECBDHN COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000599111123 439362144 /nfs/dbraw/zinc/36/21/44/439362144.db2.gz DPRBAKLXIWRHAL-OIBJUYFYSA-N 0 3 333.341 0.771 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)n1 ZINC000599263813 439406333 /nfs/dbraw/zinc/40/63/33/439406333.db2.gz RTIUCWKJGGJTSC-GHMZBOCLSA-N 0 3 343.409 0.433 20 5 ECBDHN CCN1CCN([C@H](C)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000571102983 439476016 /nfs/dbraw/zinc/47/60/16/439476016.db2.gz YIXHUDWDZJKCBO-LLVKDONJSA-N 0 3 336.396 0.328 20 5 ECBDHN CCOc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000571179042 439482070 /nfs/dbraw/zinc/48/20/70/439482070.db2.gz FWPUJBRVKDHODW-RYUDHWBXSA-N 0 3 348.359 0.378 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)CCN2C1=O ZINC000583575995 439483397 /nfs/dbraw/zinc/48/33/97/439483397.db2.gz YWYJFIQRPASGNG-CHWSQXEVSA-N 0 3 327.344 0.891 20 5 ECBDHN CNc1c(C(=O)NC[C@]2(O)CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000594357851 439547556 /nfs/dbraw/zinc/54/75/56/439547556.db2.gz PFQFRUDXCWWYHZ-INIZCTEOSA-N 0 3 334.376 0.823 20 5 ECBDHN C[C@@H]1C[C@@H]1N1C[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000573676841 439659631 /nfs/dbraw/zinc/65/96/31/439659631.db2.gz RIZGKOKWNIAQHG-OSFYFWSMSA-N 0 3 349.387 0.933 20 5 ECBDHN COC(=O)COc1ccc(CNC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600775187 439700734 /nfs/dbraw/zinc/70/07/34/439700734.db2.gz LOHANYFCAGFNAE-GFCCVEGCSA-N 0 3 339.348 0.225 20 5 ECBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCN1CC[C@H](O)C1 ZINC000600808718 439704027 /nfs/dbraw/zinc/70/40/27/439704027.db2.gz QCPDPPMFGSKZIZ-HNNXBMFYSA-N 0 3 336.392 0.970 20 5 ECBDHN COC1CCN(C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000343571329 321135275 /nfs/dbraw/zinc/13/52/75/321135275.db2.gz COGBWYJZIWLQHR-UHFFFAOYSA-N 0 3 325.369 0.937 20 5 ECBDHN COC1CCN(C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000343571329 321135276 /nfs/dbraw/zinc/13/52/76/321135276.db2.gz COGBWYJZIWLQHR-UHFFFAOYSA-N 0 3 325.369 0.937 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1COC[C@H]1O ZINC000352795813 321372417 /nfs/dbraw/zinc/37/24/17/321372417.db2.gz FUPHLUJVJAOJKY-QWHCGFSZSA-N 0 3 339.348 0.624 20 5 ECBDHN NC(C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000353479099 321393907 /nfs/dbraw/zinc/39/39/07/321393907.db2.gz GOBHSCMZMXJKNS-OIBJUYFYSA-N 0 3 333.270 0.892 20 5 ECBDHN CN(C)CCOc1cnccc1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000356473097 321532830 /nfs/dbraw/zinc/53/28/30/321532830.db2.gz JOKZAMBERWHWQI-UHFFFAOYSA-N 0 3 348.363 0.594 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563976863 322357046 /nfs/dbraw/zinc/35/70/46/322357046.db2.gz PMVGHDAZPXHGEG-NEPJUHHUSA-N 0 3 333.348 0.679 20 5 ECBDHN CN1C(=O)CC[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000564855597 322400368 /nfs/dbraw/zinc/40/03/68/322400368.db2.gz CYFIDUPTYJOQOK-AAEUAGOBSA-N 0 3 337.332 0.072 20 5 ECBDHN [NH3+][C@H]1CCC[C@H](NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000571178518 322712793 /nfs/dbraw/zinc/71/27/93/322712793.db2.gz GQJCKHXMSICCHX-RYUDHWBXSA-N 0 3 342.421 0.733 20 5 ECBDHN CS(=O)(=O)CCCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572393333 322744026 /nfs/dbraw/zinc/74/40/26/322744026.db2.gz FWCGEAVTVFOZQB-NSHDSACASA-N 0 3 332.378 0.359 20 5 ECBDHN CCO[C@H]1C[C@](N)(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000577103960 322825312 /nfs/dbraw/zinc/82/53/12/322825312.db2.gz GSDYNWVRGFXPRE-FZMZJTMJSA-N 0 3 325.369 0.440 20 5 ECBDHN CC[NH+]1CCN(CCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000186928843 529144820 /nfs/dbraw/zinc/14/48/20/529144820.db2.gz IJBRZCNLZQBSHT-UHFFFAOYSA-N 0 3 337.380 0.453 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000266441055 536000413 /nfs/dbraw/zinc/00/04/13/536000413.db2.gz GVMNOINMRGRLKC-UHFFFAOYSA-N 0 3 333.352 0.576 20 5 ECBDHN CNC(=O)C1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000784181015 578749451 /nfs/dbraw/zinc/74/94/51/578749451.db2.gz KFNBPTBBOBRATC-LBPRGKRZSA-N 0 3 337.376 0.983 20 5 ECBDHN COc1ccccc1[C@@H](O)CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743260346 579796112 /nfs/dbraw/zinc/79/61/12/579796112.db2.gz BJJATHXTVXYHPU-OCCSQVGLSA-N 0 3 336.348 0.484 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H](O)c2c(F)cccc2F)c1 ZINC000843086912 589050149 /nfs/dbraw/zinc/05/01/49/589050149.db2.gz JPDWVGIIILOERC-MFKMUULPSA-N 0 3 342.302 0.754 20 5 ECBDHN CC(COC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)[N+](=O)[O-] ZINC000813101947 587248207 /nfs/dbraw/zinc/24/82/07/587248207.db2.gz LRYNRKQGFUHKFW-OPASDULOSA-N 0 3 327.337 0.696 20 5 ECBDHN CC(COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)[N+](=O)[O-] ZINC000813108833 587248632 /nfs/dbraw/zinc/24/86/32/587248632.db2.gz MAVSIAVECDTNNC-FRRDWIJNSA-N 0 3 326.349 0.636 20 5 ECBDHN CS(=O)(=O)N1CCC[C@@H]1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819189074 587471953 /nfs/dbraw/zinc/47/19/53/587471953.db2.gz DMQWNHZNYYTGLV-KGLIPLIRSA-N 0 3 343.405 0.642 20 5 ECBDHN CC[C@H](CNS(C)(=O)=O)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819342682 587476990 /nfs/dbraw/zinc/47/69/90/587476990.db2.gz AOVPSRJHOVCJFZ-YPMHNXCESA-N 0 3 331.394 0.546 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1CN1C(C)C(=O)N(C)S1(=O)=O ZINC000829561460 588330176 /nfs/dbraw/zinc/33/01/76/588330176.db2.gz TXFZWCUODLCQKU-MRVPVSSYSA-N 0 3 329.334 0.511 20 5 ECBDHN Cc1cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc([N+](=O)[O-])c1F ZINC000844227025 589104453 /nfs/dbraw/zinc/10/44/53/589104453.db2.gz QIYANZHYMWVUET-JTQLQIEISA-N 0 3 346.384 0.306 20 5 ECBDHN C[C@H](NC[C@]1(OCCO)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850506210 589368925 /nfs/dbraw/zinc/36/89/25/589368925.db2.gz CMCDFUGLOAGYCE-XHDPSFHLSA-N 0 3 325.365 0.996 20 5 ECBDHN Cc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000861710210 589877545 /nfs/dbraw/zinc/87/75/45/589877545.db2.gz AOJKHTUOKSLLLU-VXGBXAGGSA-N 0 3 334.376 0.767 20 5 ECBDHN CCn1ccc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000985426864 747978994 /nfs/dbraw/zinc/97/89/94/747978994.db2.gz UYVZVMMVUUXRRW-HUUCEWRRSA-N 0 3 335.408 0.991 20 5 ECBDHN Cc1cc(C(=O)N[C@H]2C[C@H](CNCc3c([N+](=O)[O-])ncn3C)C2)on1 ZINC000983122847 754686222 /nfs/dbraw/zinc/68/62/22/754686222.db2.gz CAEAQHIRKQPWDZ-XYPYZODXSA-N 0 3 348.363 0.923 20 5 ECBDHN Cc1[nH]cnc1CC(=O)NC/C=C\CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107286229 758168934 /nfs/dbraw/zinc/16/89/34/758168934.db2.gz YFZCFRNMVNSRQO-IHWYPQMZSA-N 0 3 346.351 0.326 20 5 ECBDHN O=C(N[C@H]1C[C@@H](NCc2nc(-c3ccoc3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063950 758227601 /nfs/dbraw/zinc/22/76/01/758227601.db2.gz QMUZKCKHEXPARG-WRWGMCAJSA-N 0 3 347.331 0.732 20 5 ECBDHN O=C(N[C@H]1C[C@H](NCc2noc3c2CCCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138952 772205531 /nfs/dbraw/zinc/20/55/31/772205531.db2.gz JHWFLKUXTYCGGI-BGOOENEXSA-N 0 3 334.376 0.955 20 5 ECBDHN COc1nccc(CN2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001045436626 775609926 /nfs/dbraw/zinc/60/99/26/775609926.db2.gz UAILRZANKNJQIZ-CHWSQXEVSA-N 0 3 349.391 0.621 20 5 ECBDHN CN(C(=O)CN1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001045436815 775610273 /nfs/dbraw/zinc/61/02/73/775610273.db2.gz WGGKXBOTNBQRNK-CHWSQXEVSA-N 0 3 338.408 0.243 20 5 ECBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1CS(=O)(=O)C1 ZINC001266710214 836181591 /nfs/dbraw/zinc/18/15/91/836181591.db2.gz JEXYTCMBLUIHEI-UHFFFAOYSA-N 0 3 341.389 0.187 20 5 ECBDHN CNS(=O)(=O)CCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447595799 290758216 /nfs/dbraw/zinc/75/82/16/290758216.db2.gz ATXFCLNSLAINGL-QWRGUYRKSA-N 0 3 331.398 0.414 20 5 ECBDHN COc1c(F)cc(S(=O)(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000420485030 209375088 /nfs/dbraw/zinc/37/50/88/209375088.db2.gz YZNXYXFCAWVCDG-MRVPVSSYSA-N 0 3 349.340 0.009 20 5 ECBDHN NCCNC(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000419781315 209203122 /nfs/dbraw/zinc/20/31/22/209203122.db2.gz OROGKVMYKKHHSR-UHFFFAOYSA-N 0 3 334.254 0.305 20 5 ECBDHN CN(C)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)Cc2ccccc2C1 ZINC000356299359 299374567 /nfs/dbraw/zinc/37/45/67/299374567.db2.gz KHZFYXBZGTYVNO-UHFFFAOYSA-N 0 3 344.375 0.402 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN[C@H](C)[C@H]1C ZINC000262723903 245146802 /nfs/dbraw/zinc/14/68/02/245146802.db2.gz GLVFYOKAACXMDC-GRYCIOLGSA-N 0 3 334.376 0.922 20 5 ECBDHN CN(C)CCN(Cc1ccsc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000458205663 211756633 /nfs/dbraw/zinc/75/66/33/211756633.db2.gz SJBQXBZHTQMFQZ-UHFFFAOYSA-N 0 3 338.393 0.838 20 5 ECBDHN NC(=O)[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000411968078 208181711 /nfs/dbraw/zinc/18/17/11/208181711.db2.gz FKNYQBIMSMKALL-UONOGXRCSA-N 0 3 329.360 0.992 20 5 ECBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2CNCCO2)cc1 ZINC000420475292 209374282 /nfs/dbraw/zinc/37/42/82/209374282.db2.gz GRRSXKRRHWBUSO-CYBMUJFWSA-N 0 3 329.378 0.045 20 5 ECBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000119553991 221346594 /nfs/dbraw/zinc/34/65/94/221346594.db2.gz ZZNLOIJLNVVBMF-OCCSQVGLSA-N 0 3 344.375 0.823 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@H]1CC[NH2+]C1 ZINC000261975648 165271008 /nfs/dbraw/zinc/27/10/08/165271008.db2.gz QOOVWMMYSCGYHM-SNVBAGLBSA-N 0 3 329.378 0.881 20 5 ECBDHN CS(=O)(=O)c1ccc(NCCNC(=O)C2(N)CC2)c([N+](=O)[O-])c1 ZINC000262320123 165329361 /nfs/dbraw/zinc/32/93/61/165329361.db2.gz QVPITFZLMXJQNF-UHFFFAOYSA-N 0 3 342.377 0.018 20 5 ECBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000123807933 222334735 /nfs/dbraw/zinc/33/47/35/222334735.db2.gz VESDYCGCKKBGJQ-AWEZNQCLSA-N 0 3 340.336 0.854 20 5 ECBDHN Cc1n[nH]c(C(=O)NCc2ccnc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000270822596 263276161 /nfs/dbraw/zinc/27/61/61/263276161.db2.gz ZPZIDIUIVPOGGG-UHFFFAOYSA-N 0 3 348.363 0.892 20 5 ECBDHN CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@@H+]1CCOC ZINC000285950550 264354226 /nfs/dbraw/zinc/35/42/26/264354226.db2.gz ZJDIKKVMIRVDJD-NSHDSACASA-N 0 3 325.369 0.891 20 5 ECBDHN CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@H+]1CCOC ZINC000285950550 264354227 /nfs/dbraw/zinc/35/42/27/264354227.db2.gz ZJDIKKVMIRVDJD-NSHDSACASA-N 0 3 325.369 0.891 20 5 ECBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420456488 276529803 /nfs/dbraw/zinc/52/98/03/276529803.db2.gz AMVXKDMTLGXFLR-MRVPVSSYSA-N 0 3 331.350 0.382 20 5 ECBDHN COC[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000178001467 277596775 /nfs/dbraw/zinc/59/67/75/277596775.db2.gz UYRQVYZGERAEKH-AWEZNQCLSA-N 0 3 343.405 0.888 20 5 ECBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C[NH+]1CCN(C)CC1 ZINC000176013487 278207322 /nfs/dbraw/zinc/20/73/22/278207322.db2.gz BGYFOZUVRHYOAL-LLVKDONJSA-N 0 3 337.380 0.309 20 5 ECBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000354398339 437605498 /nfs/dbraw/zinc/60/54/98/437605498.db2.gz GIBZSODEWFVDGX-LLVKDONJSA-N 0 3 336.396 0.328 20 5 ECBDHN CCNC(=O)NC(=O)C(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000338224713 297246233 /nfs/dbraw/zinc/24/62/33/297246233.db2.gz GELCEUOIGWXQQU-QMMMGPOBSA-N 0 3 329.334 0.603 20 5 ECBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)CN(C)C ZINC000346219036 298239424 /nfs/dbraw/zinc/23/94/24/298239424.db2.gz JMYAISCVLSFSNF-MWLCHTKSSA-N 0 3 326.401 0.894 20 5 ECBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN([C@@H]4COC[C@@H]4O)CC3)nc2c1 ZINC000361333417 300083371 /nfs/dbraw/zinc/08/33/71/300083371.db2.gz AEAREVXTEHRDSZ-CABCVRRESA-N 0 3 347.375 0.743 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000362995486 300239869 /nfs/dbraw/zinc/23/98/69/300239869.db2.gz XYXMEUSCBNLSGP-CHWSQXEVSA-N 0 3 337.380 0.469 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000364203304 300335229 /nfs/dbraw/zinc/33/52/29/300335229.db2.gz WHXZHBWPHXYNHZ-GFCCVEGCSA-N 0 3 339.396 0.405 20 5 ECBDHN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCCC2)C1 ZINC000072089581 436032132 /nfs/dbraw/zinc/03/21/32/436032132.db2.gz COWOJEQSOMUQMZ-GFCCVEGCSA-N 0 3 340.405 0.917 20 5 ECBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000375405722 301172188 /nfs/dbraw/zinc/17/21/88/301172188.db2.gz SFTXZDGWLXOGRP-LLVKDONJSA-N 0 3 335.364 0.555 20 5 ECBDHN CC(C)C(=O)NCCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000028265441 436187876 /nfs/dbraw/zinc/18/78/76/436187876.db2.gz YSAVHHQWFAHKMV-LBPRGKRZSA-N 0 3 325.365 0.696 20 5 ECBDHN CCN1CCN(CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000042595280 436308758 /nfs/dbraw/zinc/30/87/58/436308758.db2.gz BCPPUDYASLBLIN-UHFFFAOYSA-N 0 3 338.412 0.325 20 5 ECBDHN CC(C)(C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000519558497 301745944 /nfs/dbraw/zinc/74/59/44/301745944.db2.gz VFIFTLWAFQZCQU-UONOGXRCSA-N 0 3 346.387 0.643 20 5 ECBDHN CC(C)(C)N1C[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000521613702 301790897 /nfs/dbraw/zinc/79/08/97/301790897.db2.gz YAKDJRPUEUWLJC-CMPLNLGQSA-N 0 3 325.369 0.141 20 5 ECBDHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC000535727600 302123962 /nfs/dbraw/zinc/12/39/62/302123962.db2.gz IDEKHEDGASVLBE-GFCCVEGCSA-N 0 3 336.396 0.558 20 5 ECBDHN Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000151620025 436705700 /nfs/dbraw/zinc/70/57/00/436705700.db2.gz XTFKDXSXYCMEKM-LBPRGKRZSA-N 0 3 336.396 0.380 20 5 ECBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067159449 436707159 /nfs/dbraw/zinc/70/71/59/436707159.db2.gz YRTKGUQSFLBTJH-UHFFFAOYSA-N 0 3 339.348 0.674 20 5 ECBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568783494 302499529 /nfs/dbraw/zinc/49/95/29/302499529.db2.gz VRWGVMJKZLRHBU-NEPJUHHUSA-N 0 3 347.375 0.987 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152923959 436743695 /nfs/dbraw/zinc/74/36/95/436743695.db2.gz OOSDTTYYOCRBDG-MRXNPFEDSA-N 0 3 347.375 0.823 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])NCCCN1CCC(O)CC1 ZINC000172344366 437011502 /nfs/dbraw/zinc/01/15/02/437011502.db2.gz OXDQZEBOUXSZMD-UHFFFAOYSA-N 0 3 336.392 0.970 20 5 ECBDHN C[C@H](O)CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000276149051 437064213 /nfs/dbraw/zinc/06/42/13/437064213.db2.gz DNLCHJADQBPDPL-RWMBFGLXSA-N 0 3 328.365 0.398 20 5 ECBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000331993567 437192178 /nfs/dbraw/zinc/19/21/78/437192178.db2.gz YGTRNERTCOZALL-OLZOCXBDSA-N 0 3 334.376 0.842 20 5 ECBDHN O=C(CNC(=O)c1ccc([N+](=O)[O-])o1)NCCN1CCCCCC1 ZINC000339059713 437439290 /nfs/dbraw/zinc/43/92/90/437439290.db2.gz IOECGJLTBOREDC-UHFFFAOYSA-N 0 3 338.364 0.910 20 5 ECBDHN COCCCN(C)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269043038 437448439 /nfs/dbraw/zinc/44/84/39/437448439.db2.gz NHONFBAQUAIPBZ-UHFFFAOYSA-N 0 3 328.373 0.059 20 5 ECBDHN C[C@H]1COCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192567794 437681997 /nfs/dbraw/zinc/68/19/97/437681997.db2.gz SDNMSYNZPRGTHV-RYUDHWBXSA-N 0 3 343.405 0.888 20 5 ECBDHN COc1c(F)cc(S(=O)(=O)NCCNC2CC2)cc1[N+](=O)[O-] ZINC000193258842 437707033 /nfs/dbraw/zinc/70/70/33/437707033.db2.gz FOIDPPAJXQCIOS-UHFFFAOYSA-N 0 3 333.341 0.773 20 5 ECBDHN Cn1cc([C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]2N)cn1 ZINC000424228474 437907875 /nfs/dbraw/zinc/90/78/75/437907875.db2.gz SXWKUNXRNGHRLH-LSDHHAIUSA-N 0 3 329.360 0.824 20 5 ECBDHN CS[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000342543607 438029570 /nfs/dbraw/zinc/02/95/70/438029570.db2.gz KFRCZRPKRIZKJQ-YNEHKIRRSA-N 0 3 329.426 0.130 20 5 ECBDHN COC(=O)c1cnc(N2CC[C@@H](OCCN(C)C)C2)c([N+](=O)[O-])c1 ZINC000357695138 438046586 /nfs/dbraw/zinc/04/65/86/438046586.db2.gz IPTGFUIXKGBZER-GFCCVEGCSA-N 0 3 338.364 0.933 20 5 ECBDHN COCCCN(C(=O)c1cc([N+](=O)[O-])nn1C)C1CCN(C)CC1 ZINC000358224250 438186043 /nfs/dbraw/zinc/18/60/43/438186043.db2.gz BODSVEWTYRDPRV-UHFFFAOYSA-N 0 3 339.396 0.901 20 5 ECBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CN2CCN1CCC2 ZINC000367149707 438173562 /nfs/dbraw/zinc/17/35/62/438173562.db2.gz XLMSVFSLVPYBBQ-OAHLLOKOSA-N 0 3 333.392 0.513 20 5 ECBDHN CCCC[C@@H](CN)NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418863999 438225716 /nfs/dbraw/zinc/22/57/16/438225716.db2.gz HVUKFTSTKBGGSN-ZDUSSCGKSA-N 0 3 336.392 0.887 20 5 ECBDHN O=C1NC[C@@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000368073460 438284718 /nfs/dbraw/zinc/28/47/18/438284718.db2.gz ZYAWYDNVDXHFGH-FRRDWIJNSA-N 0 3 335.360 0.402 20 5 ECBDHN CN(C)CCOCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351565424 438290066 /nfs/dbraw/zinc/29/00/66/438290066.db2.gz AOYHMDDUBCMPAP-UHFFFAOYSA-N 0 3 342.327 0.367 20 5 ECBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@@H](O)C[C@H]1CO ZINC000352022996 438371424 /nfs/dbraw/zinc/37/14/24/438371424.db2.gz STFKPOYODNKEKV-RYUDHWBXSA-N 0 3 337.332 0.320 20 5 ECBDHN CC[C@@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000435807824 438387071 /nfs/dbraw/zinc/38/70/71/438387071.db2.gz JZDJRRJBIUPHLR-SNVBAGLBSA-N 0 3 333.414 0.820 20 5 ECBDHN CC[C@@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000435807824 438387075 /nfs/dbraw/zinc/38/70/75/438387075.db2.gz JZDJRRJBIUPHLR-SNVBAGLBSA-N 0 3 333.414 0.820 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000390258575 438431597 /nfs/dbraw/zinc/43/15/97/438431597.db2.gz VHKCCRGYKJOYKQ-SNVBAGLBSA-N 0 3 349.796 0.905 20 5 ECBDHN CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)CC1 ZINC000369251962 438443471 /nfs/dbraw/zinc/44/34/71/438443471.db2.gz DGAOZSLXZYJSMM-LLVKDONJSA-N 0 3 349.391 0.594 20 5 ECBDHN CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)CC1 ZINC000369251962 438443476 /nfs/dbraw/zinc/44/34/76/438443476.db2.gz DGAOZSLXZYJSMM-LLVKDONJSA-N 0 3 349.391 0.594 20 5 ECBDHN C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)CC1 ZINC000369251962 438443479 /nfs/dbraw/zinc/44/34/79/438443479.db2.gz DGAOZSLXZYJSMM-LLVKDONJSA-N 0 3 349.391 0.594 20 5 ECBDHN CN(C[C@@H]1CCCN1C)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000420630613 438415202 /nfs/dbraw/zinc/41/52/02/438415202.db2.gz FCFTWLHDFZQKSW-NSHDSACASA-N 0 3 328.394 0.773 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000369379699 438462567 /nfs/dbraw/zinc/46/25/67/438462567.db2.gz NYZSYUSGBOYTDM-TZMCWYRMSA-N 0 3 335.368 0.298 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@H]2Cn2ccnn2)c1 ZINC000369379696 438462583 /nfs/dbraw/zinc/46/25/83/438462583.db2.gz NYZSYUSGBOYTDM-GXTWGEPZSA-N 0 3 335.368 0.298 20 5 ECBDHN [NH3+]CCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440351495 438545341 /nfs/dbraw/zinc/54/53/41/438545341.db2.gz AUSAZGPAOVWMEN-UHFFFAOYSA-N 0 3 338.183 0.984 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000493866742 438654203 /nfs/dbraw/zinc/65/42/03/438654203.db2.gz DFJBACXJWQTUIQ-OQOSRZTISA-N 0 3 330.344 0.378 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576123555 438770608 /nfs/dbraw/zinc/77/06/08/438770608.db2.gz PTDXXSFVUSTDAJ-QWRGUYRKSA-N 0 3 349.347 0.379 20 5 ECBDHN COc1ccc(CNC[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000555911908 438779583 /nfs/dbraw/zinc/77/95/83/438779583.db2.gz FCUHZPZXYPOGQH-ZDUSSCGKSA-N 0 3 325.365 0.386 20 5 ECBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000514799990 438832069 /nfs/dbraw/zinc/83/20/69/438832069.db2.gz ZQSCRSYXRRBLER-SWHYSGLUSA-N 0 3 347.375 0.166 20 5 ECBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000516085391 438889902 /nfs/dbraw/zinc/88/99/02/438889902.db2.gz OKWSKSDWOAHXME-MRXNPFEDSA-N 0 3 349.343 0.510 20 5 ECBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000590402418 438919278 /nfs/dbraw/zinc/91/92/78/438919278.db2.gz TUAKHAIBMJYVSS-UONOGXRCSA-N 0 3 337.380 0.503 20 5 ECBDHN N[C@H]1C[C@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000578453654 438925639 /nfs/dbraw/zinc/92/56/39/438925639.db2.gz AQMJHEQIZNHCAG-WPRPVWTQSA-N 0 3 338.751 0.632 20 5 ECBDHN CN(CC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000590551473 438931552 /nfs/dbraw/zinc/93/15/52/438931552.db2.gz YIHTVXOYNDWSAZ-KBPBESRZSA-N 0 3 348.403 0.699 20 5 ECBDHN CN1CC[C@@H]2CN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000596263635 438949599 /nfs/dbraw/zinc/94/95/99/438949599.db2.gz LORHYTGJICARFN-SKDRFNHKSA-N 0 3 326.378 0.383 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1O ZINC000596585878 438977339 /nfs/dbraw/zinc/97/73/39/438977339.db2.gz ATKMLDVHDQURFM-STQMWFEESA-N 0 3 348.363 0.287 20 5 ECBDHN COc1c(C(=O)N[C@H](C)C(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000565786019 438979770 /nfs/dbraw/zinc/97/97/70/438979770.db2.gz YQPYMENMCLEKIJ-SNVBAGLBSA-N 0 3 338.364 0.400 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc3c(c2)OCCO3)c1 ZINC000579190752 438987837 /nfs/dbraw/zinc/98/78/37/438987837.db2.gz BXBCHSDKFOKABF-ZDUSSCGKSA-N 0 3 334.332 0.713 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccnc(N3CCCC3)c2)c1 ZINC000566107533 439007832 /nfs/dbraw/zinc/00/78/32/439007832.db2.gz LKUFTFCRNTZKNV-OAHLLOKOSA-N 0 3 346.391 0.937 20 5 ECBDHN O=C(CCOC1CNC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591675048 439058682 /nfs/dbraw/zinc/05/86/82/439058682.db2.gz OXOJKXADFDFMMH-UHFFFAOYSA-N 0 3 335.364 0.017 20 5 ECBDHN COc1nc(C)cc(C)c1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591737042 439077932 /nfs/dbraw/zinc/07/79/32/439077932.db2.gz SKKPGFFXWZHNOY-CYBMUJFWSA-N 0 3 335.364 0.962 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000597652867 439150123 /nfs/dbraw/zinc/15/01/23/439150123.db2.gz FNTDQSCMNZIRTE-SNVBAGLBSA-N 0 3 343.405 0.332 20 5 ECBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@]1(O)CN2CCC1CC2 ZINC000567626846 439159108 /nfs/dbraw/zinc/15/91/08/439159108.db2.gz YWGBANSHTLMTIM-KRWDZBQOSA-N 0 3 349.387 0.937 20 5 ECBDHN CC(C)N1C[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000567682371 439164849 /nfs/dbraw/zinc/16/48/49/439164849.db2.gz OYFZEAGVFUZRAY-JSGCOSHPSA-N 0 3 337.376 0.933 20 5 ECBDHN CC(C)[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000598576399 439279547 /nfs/dbraw/zinc/27/95/47/439279547.db2.gz SAERVHGBPWINRT-CQSZACIVSA-N 0 3 334.376 0.781 20 5 ECBDHN C[C@H](CN1CCC(C)CC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000598261007 439245091 /nfs/dbraw/zinc/24/50/91/439245091.db2.gz CLAHPHRCCROESX-CYBMUJFWSA-N 0 3 336.392 0.993 20 5 ECBDHN O=C(CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCNCC1 ZINC000581878607 439258712 /nfs/dbraw/zinc/25/87/12/439258712.db2.gz SINDLFOWYHRZDJ-CHWSQXEVSA-N 0 3 336.396 0.296 20 5 ECBDHN CC(C)N1CC[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000582416139 439332350 /nfs/dbraw/zinc/33/23/50/439332350.db2.gz XMVRSMIQUZQNLW-DZGCQCFKSA-N 0 3 337.376 0.933 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Cn3cnnc3)CC2)c1 ZINC000593076269 439338196 /nfs/dbraw/zinc/33/81/96/439338196.db2.gz KTJQWPKTDBFBEK-CQSZACIVSA-N 0 3 335.368 0.156 20 5 ECBDHN CCc1n[nH]c(C(=O)N2CCOC3(CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000592898645 439300042 /nfs/dbraw/zinc/30/00/42/439300042.db2.gz LGBNMXPTWVQEQK-UHFFFAOYSA-N 0 3 337.380 0.817 20 5 ECBDHN CCc1[nH]nc(C(=O)N2CCOC3(CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000592898645 439300046 /nfs/dbraw/zinc/30/00/46/439300046.db2.gz LGBNMXPTWVQEQK-UHFFFAOYSA-N 0 3 337.380 0.817 20 5 ECBDHN CN(C)CCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593131454 439347166 /nfs/dbraw/zinc/34/71/66/439347166.db2.gz JNYWDYOJHWRSJI-UHFFFAOYSA-N 0 3 335.364 0.833 20 5 ECBDHN COc1cc(C(=O)N2CCN(C)C[C@H]2CN)cc([N+](=O)[O-])c1OC ZINC000569602676 439347851 /nfs/dbraw/zinc/34/78/51/439347851.db2.gz JMQAPQMGFSKBTK-LLVKDONJSA-N 0 3 338.364 0.327 20 5 ECBDHN Cc1cc(OCC(=O)NC[C@@]2(O)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000569865796 439370756 /nfs/dbraw/zinc/37/07/56/439370756.db2.gz RXQUTHRKJHJXTN-QGZVFWFLSA-N 0 3 349.387 0.855 20 5 ECBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000599244983 439397717 /nfs/dbraw/zinc/39/77/17/439397717.db2.gz OUXZDVAZBRIHNS-MNOVXSKESA-N 0 3 345.425 0.679 20 5 ECBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593546468 439400900 /nfs/dbraw/zinc/40/09/00/439400900.db2.gz LQQGARSYFKYJQO-NSHDSACASA-N 0 3 328.394 0.952 20 5 ECBDHN CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593560659 439405656 /nfs/dbraw/zinc/40/56/56/439405656.db2.gz UYBRVDKTUOIINK-GFCCVEGCSA-N 0 3 346.409 0.625 20 5 ECBDHN CN(C)CCN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1=O ZINC000593485712 439387037 /nfs/dbraw/zinc/38/70/37/439387037.db2.gz BLCQZYQSTBOKFE-UHFFFAOYSA-N 0 3 344.375 0.748 20 5 ECBDHN C[C@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000583020263 439408365 /nfs/dbraw/zinc/40/83/65/439408365.db2.gz QWDCHJGSZZDMQC-SNVBAGLBSA-N 0 3 329.378 0.946 20 5 ECBDHN CNc1c(C(=O)N2CCN(CCN(C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000593784887 439465552 /nfs/dbraw/zinc/46/55/52/439465552.db2.gz VDWZNBXYODODFM-UHFFFAOYSA-N 0 3 349.391 0.483 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000583511173 439476227 /nfs/dbraw/zinc/47/62/27/439476227.db2.gz RZFVBTOAMOHLOP-JOYOIKCWSA-N 0 3 338.751 0.632 20 5 ECBDHN [NH3+][C@@H]1CCC[C@H](NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000571178516 439481344 /nfs/dbraw/zinc/48/13/44/439481344.db2.gz GQJCKHXMSICCHX-NEPJUHHUSA-N 0 3 342.421 0.733 20 5 ECBDHN CCC(C)(C)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000594020837 439507034 /nfs/dbraw/zinc/50/70/34/439507034.db2.gz MICCDECLVVOMMT-CQSZACIVSA-N 0 3 325.413 0.958 20 5 ECBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594026648 439508564 /nfs/dbraw/zinc/50/85/64/439508564.db2.gz GKCOVFFLMNZURT-TUKIKUTGSA-N 0 3 334.376 0.673 20 5 ECBDHN CNC(=O)c1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000583376532 439456746 /nfs/dbraw/zinc/45/67/46/439456746.db2.gz RQCCLXWIHSNPEE-AWEZNQCLSA-N 0 3 333.348 0.302 20 5 ECBDHN CNc1c(C(=O)N[C@H](C)C(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000594359980 439547512 /nfs/dbraw/zinc/54/75/12/439547512.db2.gz WCBPBKYDMIIDNK-SNVBAGLBSA-N 0 3 337.380 0.433 20 5 ECBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594385095 439552525 /nfs/dbraw/zinc/55/25/25/439552525.db2.gz CHEZCINMTBRCSJ-WDEREUQCSA-N 0 3 341.314 0.693 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)CCN2C1=O ZINC000594694868 439591968 /nfs/dbraw/zinc/59/19/68/439591968.db2.gz WQDMGBTWPDYMSK-ZWNOBZJWSA-N 0 3 327.344 0.891 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)CCN2C1=O ZINC000594702760 439593309 /nfs/dbraw/zinc/59/33/09/439593309.db2.gz XGHNABXNDCTHIP-VXNVDRBHSA-N 0 3 334.361 0.348 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594736729 439599179 /nfs/dbraw/zinc/59/91/79/439599179.db2.gz QWAQQDNGCPNKRR-KBPBESRZSA-N 0 3 334.376 0.737 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000574271704 439694478 /nfs/dbraw/zinc/69/44/78/439694478.db2.gz YDGCNLYFOVRXBV-VXGBXAGGSA-N 0 3 344.389 0.501 20 5 ECBDHN C[C@](CO)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000347724735 321248633 /nfs/dbraw/zinc/24/86/33/321248633.db2.gz VENAVDSMXGADBE-LSDHHAIUSA-N 0 3 336.348 0.355 20 5 ECBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1COC[C@H]1O ZINC000352799831 321372940 /nfs/dbraw/zinc/37/29/40/321372940.db2.gz MYPRFESLRQIYEH-CHWSQXEVSA-N 0 3 337.332 0.584 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1COC[C@@H]1O ZINC000352801786 321373474 /nfs/dbraw/zinc/37/34/74/321373474.db2.gz KMNBAKNUZUYWCI-STQMWFEESA-N 0 3 339.348 0.624 20 5 ECBDHN CCCN(CCN1CCN(CC)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000356590012 321539087 /nfs/dbraw/zinc/53/90/87/321539087.db2.gz CDUZNUYSJBXLQY-UHFFFAOYSA-N 0 3 338.412 0.808 20 5 ECBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000564570384 322380943 /nfs/dbraw/zinc/38/09/43/322380943.db2.gz VRYGYTYMJYRJSY-UHFFFAOYSA-N 0 3 345.377 0.644 20 5 ECBDHN COC(=O)c1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000566491245 322537561 /nfs/dbraw/zinc/53/75/61/322537561.db2.gz SVKBNMSFDFKGIC-DGCLKSJQSA-N 0 3 348.359 0.438 20 5 ECBDHN N[C@H]1C[C@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CCN2C1=O ZINC000568883590 322636530 /nfs/dbraw/zinc/63/65/30/322636530.db2.gz NEHMNZIEGCXLHE-YUMQZZPRSA-N 0 3 345.281 0.757 20 5 ECBDHN C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000569383454 322652923 /nfs/dbraw/zinc/65/29/23/322652923.db2.gz XOQWYYDGWNGTEP-SECBINFHSA-N 0 3 326.328 0.530 20 5 ECBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000572519188 322746161 /nfs/dbraw/zinc/74/61/61/322746161.db2.gz CSJZDNBJEIJQNP-UHFFFAOYSA-N 0 3 345.363 0.992 20 5 ECBDHN COCCCN(C)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000266178436 536500834 /nfs/dbraw/zinc/50/08/34/536500834.db2.gz WVPAVBMWWSBZNL-UHFFFAOYSA-N 0 3 327.385 0.574 20 5 ECBDHN CN(C)C[C@H](O)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000732566896 578327582 /nfs/dbraw/zinc/32/75/82/578327582.db2.gz YCZSXLYOWNRAGN-GFCCVEGCSA-N 0 3 347.375 0.894 20 5 ECBDHN C[NH+](C)C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736763553 578450578 /nfs/dbraw/zinc/45/05/78/578450578.db2.gz MHBFEHOCWAEELW-SNVBAGLBSA-N 0 3 332.368 0.948 20 5 ECBDHN C[NH+](C)C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736763553 578450579 /nfs/dbraw/zinc/45/05/79/578450579.db2.gz MHBFEHOCWAEELW-SNVBAGLBSA-N 0 3 332.368 0.948 20 5 ECBDHN CC(COC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O)[N+](=O)[O-] ZINC000835454431 588910678 /nfs/dbraw/zinc/91/06/78/588910678.db2.gz JQMZPEYHSXBKQR-LURJTMIESA-N 0 3 327.318 0.121 20 5 ECBDHN Cc1nc(NC[C@@H]2CCN2C)nc(NC[C@H]2CCN2C)c1[N+](=O)[O-] ZINC000895769778 586204341 /nfs/dbraw/zinc/20/43/41/586204341.db2.gz IMUFBEPQDNMHOK-NEPJUHHUSA-N 0 3 335.412 0.925 20 5 ECBDHN CO[C@@]1(CNCCc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 ZINC000896681908 586266687 /nfs/dbraw/zinc/26/66/87/586266687.db2.gz HPLXZSKOHZDEEV-CQSZACIVSA-N 0 3 328.390 0.931 20 5 ECBDHN COc1cccc([C@@H](O)CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000843069653 589049321 /nfs/dbraw/zinc/04/93/21/589049321.db2.gz UDIYZAOSBXDPCF-ZFWWWQNUSA-N 0 3 336.348 0.484 20 5 ECBDHN Cn1cc([C@H](O)CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000843086340 589049989 /nfs/dbraw/zinc/04/99/89/589049989.db2.gz BKPVQQWQJOGDJN-GXTWGEPZSA-N 0 3 336.348 0.391 20 5 ECBDHN O=C(CCN1CCC[C@](O)(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839147827 586838202 /nfs/dbraw/zinc/83/82/02/586838202.db2.gz SBORZAHIKARPFK-OAHLLOKOSA-N 0 3 341.339 0.882 20 5 ECBDHN O=[N+]([O-])CCN[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000905112402 586871277 /nfs/dbraw/zinc/87/12/77/586871277.db2.gz YXPKGFDRILPAQU-ZDUSSCGKSA-N 0 3 336.396 0.148 20 5 ECBDHN COC(=O)[C@H]1CN(C)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839630836 586884945 /nfs/dbraw/zinc/88/49/45/586884945.db2.gz POOFWDJFLYKQKO-DZGCQCFKSA-N 0 3 337.376 0.665 20 5 ECBDHN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])n(C)c1 ZINC000813101839 587248253 /nfs/dbraw/zinc/24/82/53/587248253.db2.gz JWIGHVKXJSXEFT-SNVBAGLBSA-N 0 3 347.393 0.878 20 5 ECBDHN CN1C[C@H]2[C@@H](CCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000816952328 587330120 /nfs/dbraw/zinc/33/01/20/587330120.db2.gz IDCWGUTZZFDTMQ-JSGCOSHPSA-N 0 3 333.344 0.949 20 5 ECBDHN CC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000819141081 587470117 /nfs/dbraw/zinc/47/01/17/587470117.db2.gz UXBJNMGFRLITKL-LSDHHAIUSA-N 0 3 337.376 0.855 20 5 ECBDHN CS(=O)(=O)N1CCC[C@@H]1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819188852 587471876 /nfs/dbraw/zinc/47/18/76/587471876.db2.gz AVBSFOURDWPFMD-KGLIPLIRSA-N 0 3 343.405 0.642 20 5 ECBDHN CS(=O)(=O)N1CCC[C@@H]1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819189078 587471918 /nfs/dbraw/zinc/47/19/18/587471918.db2.gz DMQWNHZNYYTGLV-ZIAGYGMSSA-N 0 3 343.405 0.642 20 5 ECBDHN COC1CC[NH+](CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821679693 587619100 /nfs/dbraw/zinc/61/91/00/587619100.db2.gz IJGSHHDUIZRFHQ-UHFFFAOYSA-N 0 3 348.367 0.693 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000826676894 588077228 /nfs/dbraw/zinc/07/72/28/588077228.db2.gz GPCSFRBJGNKQLL-LLVKDONJSA-N 0 3 332.364 0.799 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000826676895 588077419 /nfs/dbraw/zinc/07/74/19/588077419.db2.gz GPCSFRBJGNKQLL-NSHDSACASA-N 0 3 332.364 0.799 20 5 ECBDHN C[C@@H](NC[C@@]1(OCCO)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850506207 589368902 /nfs/dbraw/zinc/36/89/02/589368902.db2.gz CMCDFUGLOAGYCE-ABAIWWIYSA-N 0 3 325.365 0.996 20 5 ECBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1NCC12CCOCC2 ZINC000852776914 589511482 /nfs/dbraw/zinc/51/14/82/589511482.db2.gz NTVSEGSISNKNBG-AWEZNQCLSA-N 0 3 334.376 0.892 20 5 ECBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856097574 589654306 /nfs/dbraw/zinc/65/43/06/589654306.db2.gz CNIDVXGZCCXDPZ-HZPDHXFCSA-N 0 3 349.387 0.998 20 5 ECBDHN O=C([C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1)N1CCNCC1 ZINC000886827814 590886690 /nfs/dbraw/zinc/88/66/90/590886690.db2.gz SAQNZVINLCQFOB-AWEZNQCLSA-N 0 3 333.392 0.634 20 5 ECBDHN CN(C)c1ccncc1C(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954847321 612742068 /nfs/dbraw/zinc/74/20/68/612742068.db2.gz ZNHYRMPKOAUCGG-BXUZGUMPSA-N 0 3 347.375 0.096 20 5 ECBDHN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21)c1cn[nH]n1 ZINC001025851773 740021941 /nfs/dbraw/zinc/02/19/41/740021941.db2.gz UZQPRMFYTJZQNH-YABSGUDNSA-N 0 3 328.332 0.573 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2ccnnc2)CC1 ZINC000997044982 743165740 /nfs/dbraw/zinc/16/57/40/743165740.db2.gz YMQPUTNLRQEEHG-UHFFFAOYSA-N 0 3 345.363 0.513 20 5 ECBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CNCc2csnn2)CC1 ZINC000997771677 743801143 /nfs/dbraw/zinc/80/11/43/743801143.db2.gz JKPKQNPNJOQNJB-VXGBXAGGSA-N 0 3 325.394 0.532 20 5 ECBDHN Cn1cc(Cl)c(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983653662 744998845 /nfs/dbraw/zinc/99/88/45/744998845.db2.gz KTGBGCODSPZSOJ-VWMGYNLJSA-N 0 3 341.799 0.723 20 5 ECBDHN Cc1cc(CN2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ncn1 ZINC001000675849 745689708 /nfs/dbraw/zinc/68/97/08/745689708.db2.gz WXTDOLIUOAGZJU-HUUCEWRRSA-N 0 3 331.376 0.699 20 5 ECBDHN CN(Cc1cnns1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964653 750117328 /nfs/dbraw/zinc/11/73/28/750117328.db2.gz UADJTBJQMLPVGP-CHWSQXEVSA-N 0 3 339.421 0.874 20 5 ECBDHN CC(C)c1noc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996428396 757653438 /nfs/dbraw/zinc/65/34/38/757653438.db2.gz AZIHJZDKGNZTAD-VXGBXAGGSA-N 0 3 337.380 0.939 20 5 ECBDHN Cc1cncn1CC(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017446417 767996850 /nfs/dbraw/zinc/99/68/50/767996850.db2.gz PBNNKQJZSXMXQD-ZIAGYGMSSA-N 0 3 347.375 0.132 20 5 ECBDHN Cn1ccc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])cc1=O ZINC001017545886 768101089 /nfs/dbraw/zinc/10/10/89/768101089.db2.gz MMWPGHRTFHZNPS-LXTVHRRPSA-N 0 3 346.387 0.226 20 5 ECBDHN CC(=O)N1CC(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)C1 ZINC001020107109 772165867 /nfs/dbraw/zinc/16/58/67/772165867.db2.gz JCQHPGIAIBIESM-SHTZXODSSA-N 0 3 346.387 0.810 20 5 ECBDHN CN(CCNC(=O)CCc1c[nH]nn1)Cc1cccc([N+](=O)[O-])c1 ZINC001266326665 835705172 /nfs/dbraw/zinc/70/51/72/835705172.db2.gz GQUVMCMTVWTVKH-UHFFFAOYSA-N 0 3 332.364 0.894 20 5 ECBDHN CCC(C)(C)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266900968 836453745 /nfs/dbraw/zinc/45/37/45/836453745.db2.gz YPVSIVTVZPGDSX-DIACKHNESA-N 0 3 338.408 0.003 20 5 ECBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000159585579 529872214 /nfs/dbraw/zinc/87/22/14/529872214.db2.gz DNFQVVREZKXVRZ-UHFFFAOYSA-N 0 3 325.365 0.846 20 5 ECBDHN COCC(C)(C)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000425504444 210066145 /nfs/dbraw/zinc/06/61/45/210066145.db2.gz LSKXGTWFZLTYRH-AWEZNQCLSA-N 0 3 341.412 0.195 20 5 ECBDHN CN1CCN(CCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102487068 219206637 /nfs/dbraw/zinc/20/66/37/219206637.db2.gz VBCZBLAZIWPLCJ-UHFFFAOYSA-N 0 3 338.412 0.280 20 5 ECBDHN CN1CC[C@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067483456 215151767 /nfs/dbraw/zinc/15/17/67/215151767.db2.gz SXEIUQIABCFIAG-LLVKDONJSA-N 0 3 330.348 0.857 20 5 ECBDHN CCc1[nH]nc(C(=O)N2CCO[C@H]3CCN(CC)C[C@H]32)c1[N+](=O)[O-] ZINC000355304043 299235316 /nfs/dbraw/zinc/23/53/16/299235316.db2.gz AUPOASUFSRFAHR-NEPJUHHUSA-N 0 3 337.380 0.816 20 5 ECBDHN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355417542 299252180 /nfs/dbraw/zinc/25/21/80/299252180.db2.gz KCGXJNDPEPFJPY-CQSZACIVSA-N 0 3 344.375 0.919 20 5 ECBDHN CN1CCNC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000420262103 209346181 /nfs/dbraw/zinc/34/61/81/209346181.db2.gz ABWSQORMNVOQIP-NSHDSACASA-N 0 3 328.394 0.314 20 5 ECBDHN CNC(=O)[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000111269664 220130131 /nfs/dbraw/zinc/13/01/31/220130131.db2.gz MGOXWVQYJYEIPI-JSGCOSHPSA-N 0 3 337.376 0.793 20 5 ECBDHN CO[C@H](C)[C@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000268865865 252315201 /nfs/dbraw/zinc/31/52/01/252315201.db2.gz WOGOJFLZBGURCN-WDEREUQCSA-N 0 3 331.394 0.886 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000153472748 224109944 /nfs/dbraw/zinc/10/99/44/224109944.db2.gz XYADGOXYLDBKPQ-HNNXBMFYSA-N 0 3 348.363 0.218 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CNCCO2)c1C ZINC000420471603 292292110 /nfs/dbraw/zinc/29/21/10/292292110.db2.gz BAXMLHUORONNDS-NSHDSACASA-N 0 3 329.378 0.478 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000262809489 165389607 /nfs/dbraw/zinc/38/96/07/165389607.db2.gz XTWYBKATUNOLSC-MWLCHTKSSA-N 0 3 329.378 0.880 20 5 ECBDHN CN(C)CCn1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)ccc1=O ZINC000270255314 263230450 /nfs/dbraw/zinc/23/04/50/263230450.db2.gz QXGWMWXDYFSYSW-UHFFFAOYSA-N 0 3 348.363 0.543 20 5 ECBDHN C[C@H]1CN(CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270795313 263273271 /nfs/dbraw/zinc/27/32/71/263273271.db2.gz MRZDDZZWMZQYGS-QWRGUYRKSA-N 0 3 325.369 0.937 20 5 ECBDHN C[C@H]1CN(CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270795313 263273272 /nfs/dbraw/zinc/27/32/72/263273272.db2.gz MRZDDZZWMZQYGS-QWRGUYRKSA-N 0 3 325.369 0.937 20 5 ECBDHN CCc1n[nH]c(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000271003690 263292547 /nfs/dbraw/zinc/29/25/47/263292547.db2.gz GEOLYEXZOMUXBY-UWVGGRQHSA-N 0 3 327.410 0.998 20 5 ECBDHN CCc1[nH]nc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000271003690 263292548 /nfs/dbraw/zinc/29/25/48/263292548.db2.gz GEOLYEXZOMUXBY-UWVGGRQHSA-N 0 3 327.410 0.998 20 5 ECBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCCNCCOC)cc1OC ZINC000271195456 263305795 /nfs/dbraw/zinc/30/57/95/263305795.db2.gz YHIXBOGJEXABNM-UHFFFAOYSA-N 0 3 341.364 0.968 20 5 ECBDHN CC(C)(C)[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000330715308 437597265 /nfs/dbraw/zinc/59/72/65/437597265.db2.gz SNCFVPFQHBSALB-MCIONIFRSA-N 0 3 326.397 0.881 20 5 ECBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1CC(C)(C)O ZINC000189925854 437614308 /nfs/dbraw/zinc/61/43/08/437614308.db2.gz RIUXBYHYTFAWNV-CYBMUJFWSA-N 0 3 338.408 0.534 20 5 ECBDHN CCN1CC[C@H]2OCCN(CCn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000339396427 297345474 /nfs/dbraw/zinc/34/54/74/297345474.db2.gz WRAFSMSSKZBNSP-HUUCEWRRSA-N 0 3 336.392 0.552 20 5 ECBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCCCN1CCC(O)CC1 ZINC000346268461 298246820 /nfs/dbraw/zinc/24/68/20/298246820.db2.gz ILMCEZSQPPBSHF-UHFFFAOYSA-N 0 3 325.369 0.144 20 5 ECBDHN O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[n-]1 ZINC000354519496 299063496 /nfs/dbraw/zinc/06/34/96/299063496.db2.gz FRFGBNJXVHEGOF-STQMWFEESA-N 0 3 345.359 0.683 20 5 ECBDHN O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[n-]1 ZINC000354519496 299063501 /nfs/dbraw/zinc/06/35/01/299063501.db2.gz FRFGBNJXVHEGOF-STQMWFEESA-N 0 3 345.359 0.683 20 5 ECBDHN C[C@@H](O)COC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375636464 301193520 /nfs/dbraw/zinc/19/35/20/301193520.db2.gz UTVINGJQLQQZCL-LLVKDONJSA-N 0 3 326.353 0.742 20 5 ECBDHN CS(=O)(=O)CCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000517556860 301706649 /nfs/dbraw/zinc/70/66/49/301706649.db2.gz RAXQXRXHFCLXRP-LBPRGKRZSA-N 0 3 332.378 0.359 20 5 ECBDHN COCCNCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237316693 436731043 /nfs/dbraw/zinc/73/10/43/436731043.db2.gz JPQUZWKLVJBECW-UHFFFAOYSA-N 0 3 334.332 0.402 20 5 ECBDHN CN(C)[C@@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000068486303 436744877 /nfs/dbraw/zinc/74/48/77/436744877.db2.gz XGOIRVARJYCEDX-CQSZACIVSA-N 0 3 334.376 0.877 20 5 ECBDHN NC(=O)CC[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247458600 436794112 /nfs/dbraw/zinc/79/41/12/436794112.db2.gz ICZSUBJBDSQVIO-AAEUAGOBSA-N 0 3 325.369 0.130 20 5 ECBDHN CC(C)C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000132671902 436869426 /nfs/dbraw/zinc/86/94/26/436869426.db2.gz OGBROVTWHOMIAR-JTQLQIEISA-N 0 3 340.384 0.140 20 5 ECBDHN CC[C@H](COC)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161971526 436899986 /nfs/dbraw/zinc/89/99/86/436899986.db2.gz BNUIVDBZTQLPOL-LLVKDONJSA-N 0 3 331.394 0.888 20 5 ECBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280638132 436909705 /nfs/dbraw/zinc/90/97/05/436909705.db2.gz XYVKOUGHJQNWQK-GJZGRUSLSA-N 0 3 347.375 0.701 20 5 ECBDHN COCCN(C)CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000171192647 436972750 /nfs/dbraw/zinc/97/27/50/436972750.db2.gz UQBJFAVLQSESOU-UHFFFAOYSA-N 0 3 339.396 0.884 20 5 ECBDHN COCCCN(CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275496644 436976603 /nfs/dbraw/zinc/97/66/03/436976603.db2.gz QEQMSWQVQQCQAA-CYBMUJFWSA-N 0 3 328.365 0.665 20 5 ECBDHN CN(C)[C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000170858123 436956672 /nfs/dbraw/zinc/95/66/72/436956672.db2.gz ZNEUFMDCFGTPKN-LBPRGKRZSA-N 0 3 330.348 0.952 20 5 ECBDHN CN1CCN(CC2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000263934163 437003254 /nfs/dbraw/zinc/00/32/54/437003254.db2.gz BSTYCJIWPXCJBJ-UHFFFAOYSA-N 0 3 335.412 0.431 20 5 ECBDHN COc1ccc(NC(=O)CCN(CCO)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000298626225 437045092 /nfs/dbraw/zinc/04/50/92/437045092.db2.gz VINJOLJKMXKFDW-NSHDSACASA-N 0 3 341.364 0.607 20 5 ECBDHN CN(CCCN1CCN(C)CC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264730363 437074115 /nfs/dbraw/zinc/07/41/15/437074115.db2.gz ICJUVAFWZCZYFT-UHFFFAOYSA-N 0 3 338.412 0.277 20 5 ECBDHN Cn1ccnc1[C@@H]1CNCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000261679975 302998702 /nfs/dbraw/zinc/99/87/02/302998702.db2.gz DBDPTDQHYPIKCW-AWEZNQCLSA-N 0 3 344.375 0.574 20 5 ECBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299515679 437086015 /nfs/dbraw/zinc/08/60/15/437086015.db2.gz NVBVDPBBYOXBIM-STQMWFEESA-N 0 3 336.392 0.993 20 5 ECBDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331688174 437144975 /nfs/dbraw/zinc/14/49/75/437144975.db2.gz WHGKTSILBMYTIO-KBPBESRZSA-N 0 3 346.387 0.988 20 5 ECBDHN CCOC[C@@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178006001 437202705 /nfs/dbraw/zinc/20/27/05/437202705.db2.gz NJZYLYGNGMWOIX-LLVKDONJSA-N 0 3 331.394 0.888 20 5 ECBDHN C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000332085634 437204855 /nfs/dbraw/zinc/20/48/55/437204855.db2.gz FVPAKGLPXBPRRM-LBPRGKRZSA-N 0 3 335.364 0.302 20 5 ECBDHN C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000332085634 437204859 /nfs/dbraw/zinc/20/48/59/437204859.db2.gz FVPAKGLPXBPRRM-LBPRGKRZSA-N 0 3 335.364 0.302 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000332085634 437204863 /nfs/dbraw/zinc/20/48/63/437204863.db2.gz FVPAKGLPXBPRRM-LBPRGKRZSA-N 0 3 335.364 0.302 20 5 ECBDHN COCCN(CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000265645395 437168083 /nfs/dbraw/zinc/16/80/83/437168083.db2.gz LMBITLTYVOFCLF-UHFFFAOYSA-N 0 3 341.364 0.873 20 5 ECBDHN CNc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000324747175 437228904 /nfs/dbraw/zinc/22/89/04/437228904.db2.gz QIOVJZCYXFAFRV-UHFFFAOYSA-N 0 3 335.408 0.956 20 5 ECBDHN COCCNC(=O)[C@H]1CC[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266904469 437263012 /nfs/dbraw/zinc/26/30/12/437263012.db2.gz JHXTUIPZKYQRIP-STQMWFEESA-N 0 3 339.396 0.654 20 5 ECBDHN Cc1cn[nH]c1CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000290012972 437456627 /nfs/dbraw/zinc/45/66/27/437456627.db2.gz UPCLTHNNQWBSSU-UHFFFAOYSA-N 0 3 339.377 0.694 20 5 ECBDHN C[C@H](c1ccccc1)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000292394846 437684973 /nfs/dbraw/zinc/68/49/73/437684973.db2.gz ZYUIBAZVSONMEE-UGFHNGPFSA-N 0 3 347.375 0.399 20 5 ECBDHN CN(C)CCOc1cnccc1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000356453181 437766749 /nfs/dbraw/zinc/76/67/49/437766749.db2.gz BVUDPKRLINFWTP-UHFFFAOYSA-N 0 3 334.336 0.583 20 5 ECBDHN Cc1n[n-]c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000331300621 437737803 /nfs/dbraw/zinc/73/78/03/437737803.db2.gz UTVFAUXNDRXIMI-SECBINFHSA-N 0 3 325.369 0.544 20 5 ECBDHN Cc1n[n-]c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000331300621 437737805 /nfs/dbraw/zinc/73/78/05/437737805.db2.gz UTVFAUXNDRXIMI-SECBINFHSA-N 0 3 325.369 0.544 20 5 ECBDHN CN(C)C(=O)CCN1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000344407281 437752661 /nfs/dbraw/zinc/75/26/61/437752661.db2.gz JUNMBUOYNOXCAX-UHFFFAOYSA-N 0 3 337.384 0.322 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000416291663 437905143 /nfs/dbraw/zinc/90/51/43/437905143.db2.gz PIJYXGJEFBBVNH-UHFFFAOYSA-N 0 3 334.376 0.843 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)n1 ZINC000427830104 438085463 /nfs/dbraw/zinc/08/54/63/438085463.db2.gz GDIRBCLAOKJSLW-GFCCVEGCSA-N 0 3 338.412 0.425 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358066068 438139145 /nfs/dbraw/zinc/13/91/45/438139145.db2.gz MAGUMZHCQGOSRO-CQSZACIVSA-N 0 3 345.302 0.993 20 5 ECBDHN CN1CCC(n2ccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)n2)CC1 ZINC000373294482 438143661 /nfs/dbraw/zinc/14/36/61/438143661.db2.gz XZZFKEVDQIRYTJ-UHFFFAOYSA-N 0 3 347.379 1.283 20 5 ECBDHN O=C(NC[C@H]1CNCCO1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418773783 438187319 /nfs/dbraw/zinc/18/73/19/438187319.db2.gz URLKNBFTOQGCPU-CYBMUJFWSA-N 0 3 336.348 0.356 20 5 ECBDHN CN(C)CCOCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000359248412 438391670 /nfs/dbraw/zinc/39/16/70/438391670.db2.gz YVSSQEYVSWHLMD-UHFFFAOYSA-N 0 3 332.382 0.232 20 5 ECBDHN CN1CC[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000368594791 438352687 /nfs/dbraw/zinc/35/26/87/438352687.db2.gz XLNWTCBSQZWYRE-DOMZBBRYSA-N 0 3 346.387 0.877 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(OCCN(C)C)CC1 ZINC000351882339 438353439 /nfs/dbraw/zinc/35/34/39/438353439.db2.gz FSNCBQKQZFOQHJ-UHFFFAOYSA-N 0 3 339.396 0.669 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCN2C)cc1C ZINC000394070384 438445171 /nfs/dbraw/zinc/44/51/71/438445171.db2.gz VDAOIWFBNRFIPZ-GFCCVEGCSA-N 0 3 342.421 0.394 20 5 ECBDHN CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)CC1 ZINC000369251963 438442989 /nfs/dbraw/zinc/44/29/89/438442989.db2.gz DGAOZSLXZYJSMM-NSHDSACASA-N 0 3 349.391 0.594 20 5 ECBDHN CN1CCC([N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)CC1 ZINC000369251963 438442992 /nfs/dbraw/zinc/44/29/92/438442992.db2.gz DGAOZSLXZYJSMM-NSHDSACASA-N 0 3 349.391 0.594 20 5 ECBDHN C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)CC1 ZINC000369251963 438442995 /nfs/dbraw/zinc/44/29/95/438442995.db2.gz DGAOZSLXZYJSMM-NSHDSACASA-N 0 3 349.391 0.594 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000369379698 438463267 /nfs/dbraw/zinc/46/32/67/438463267.db2.gz NYZSYUSGBOYTDM-OCCSQVGLSA-N 0 3 335.368 0.298 20 5 ECBDHN CC(C)(C(=O)N[C@@H]1CCCN(CCCO)C1)n1cc([N+](=O)[O-])cn1 ZINC000452796513 438673898 /nfs/dbraw/zinc/67/38/98/438673898.db2.gz NJCUPWLFSLNLQX-GFCCVEGCSA-N 0 3 339.396 0.489 20 5 ECBDHN CCc1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000576399205 438781275 /nfs/dbraw/zinc/78/12/75/438781275.db2.gz JGCCURBFZKOJRF-NSHDSACASA-N 0 3 329.378 0.424 20 5 ECBDHN COc1ccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000556899979 438792590 /nfs/dbraw/zinc/79/25/90/438792590.db2.gz COHNWQXGWSULPJ-SNVBAGLBSA-N 0 3 338.364 0.400 20 5 ECBDHN C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCN1CC(C)(C)O ZINC000588027256 438813816 /nfs/dbraw/zinc/81/38/16/438813816.db2.gz YMOJFFNHASNYSA-NSHDSACASA-N 0 3 338.408 0.951 20 5 ECBDHN COc1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864038 438845388 /nfs/dbraw/zinc/84/53/88/438845388.db2.gz XFXAOVGRYUAZIL-STQMWFEESA-N 0 3 335.360 0.885 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588863009 438846080 /nfs/dbraw/zinc/84/60/80/438846080.db2.gz NUMSCPMEDZWRNJ-OLZOCXBDSA-N 0 3 337.380 0.157 20 5 ECBDHN O=C1CC[C@@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000595742152 438853586 /nfs/dbraw/zinc/85/35/86/438853586.db2.gz OOLJOAUTZFFYLH-XNRPHZJLSA-N 0 3 349.387 0.935 20 5 ECBDHN NC(=O)c1ccnc(NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000589583213 438877975 /nfs/dbraw/zinc/87/79/75/438877975.db2.gz SUDGVOZPWPHEOY-LLVKDONJSA-N 0 3 335.364 0.754 20 5 ECBDHN CN(C)C(=O)CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516761517 438923032 /nfs/dbraw/zinc/92/30/32/438923032.db2.gz HUVZPLXKXKSUPI-UHFFFAOYSA-N 0 3 343.405 0.827 20 5 ECBDHN CS(=O)(=O)C1(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000578642534 438942398 /nfs/dbraw/zinc/94/23/98/438942398.db2.gz PDHHEOWFGBVRBY-GFCCVEGCSA-N 0 3 346.409 0.099 20 5 ECBDHN CCc1cccc(NC(=O)CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591728898 439078980 /nfs/dbraw/zinc/07/89/80/439078980.db2.gz VQRHMAGYYRJKGK-OAHLLOKOSA-N 0 3 347.375 0.943 20 5 ECBDHN CC[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598535504 439275504 /nfs/dbraw/zinc/27/55/04/439275504.db2.gz DTEKVRRFTCQGOQ-WCQYABFASA-N 0 3 334.376 0.924 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(c2ccncc2)CC1 ZINC000604529844 439318773 /nfs/dbraw/zinc/31/87/73/439318773.db2.gz RRNLJCHPZIDKJC-UHFFFAOYSA-N 0 3 343.343 0.500 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000592870045 439294088 /nfs/dbraw/zinc/29/40/88/439294088.db2.gz CDHAPCKGVFYSCZ-JTQLQIEISA-N 0 3 335.364 0.369 20 5 ECBDHN CS[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000582131291 439296850 /nfs/dbraw/zinc/29/68/50/439296850.db2.gz DALRLLAITWBPGB-UWVGGRQHSA-N 0 3 325.394 0.690 20 5 ECBDHN C[C@@H]1NCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000598666201 439299549 /nfs/dbraw/zinc/29/95/49/439299549.db2.gz VSVWQWACHPIJNK-QWRGUYRKSA-N 0 3 335.364 0.925 20 5 ECBDHN Cc1cccc(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593234733 439356092 /nfs/dbraw/zinc/35/60/92/439356092.db2.gz IHEPKWIIVUACEL-UHFFFAOYSA-N 0 3 334.376 0.749 20 5 ECBDHN C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000582735956 439374338 /nfs/dbraw/zinc/37/43/38/439374338.db2.gz PIJFAOKHLFEVPP-RYUDHWBXSA-N 0 3 336.392 0.881 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)nc1 ZINC000593525541 439393784 /nfs/dbraw/zinc/39/37/84/439393784.db2.gz GQRAREKPLJUDML-UHFFFAOYSA-N 0 3 349.372 0.896 20 5 ECBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599237071 439395375 /nfs/dbraw/zinc/39/53/75/439395375.db2.gz KNTOCDOWVWOGSZ-SNVBAGLBSA-N 0 3 331.398 0.291 20 5 ECBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599244986 439396694 /nfs/dbraw/zinc/39/66/94/439396694.db2.gz OUXZDVAZBRIHNS-WDEREUQCSA-N 0 3 345.425 0.679 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)c3ccncc32)n1 ZINC000599256125 439401328 /nfs/dbraw/zinc/40/13/28/439401328.db2.gz SXXPPMTVFYNCPN-UHFFFAOYSA-N 0 3 338.349 0.368 20 5 ECBDHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599274152 439410899 /nfs/dbraw/zinc/41/08/99/439410899.db2.gz MMXDDYUYSCNICO-SNVBAGLBSA-N 0 3 345.425 0.679 20 5 ECBDHN CN(Cc1ccccc1)C(=O)CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583258404 439440882 /nfs/dbraw/zinc/44/08/82/439440882.db2.gz TVTZZULZEDKXDL-HNNXBMFYSA-N 0 3 347.375 0.400 20 5 ECBDHN COC(=O)COc1ccc(CN[C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000593670145 439442396 /nfs/dbraw/zinc/44/23/96/439442396.db2.gz NAHHBGZVDVIJID-PHIMTYICSA-N 0 3 337.332 0.500 20 5 ECBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000608799915 439545712 /nfs/dbraw/zinc/54/57/12/439545712.db2.gz QRWAQSNCZZNJBG-NSHDSACASA-N 0 3 336.348 0.742 20 5 ECBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000584230812 439566654 /nfs/dbraw/zinc/56/66/54/439566654.db2.gz ZOZLMRFDIGWAIJ-UHFFFAOYSA-N 0 3 332.324 0.078 20 5 ECBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000609665536 439582608 /nfs/dbraw/zinc/58/26/08/439582608.db2.gz UEJAJJQOJQGARX-ZDUSSCGKSA-N 0 3 335.408 0.785 20 5 ECBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000610262212 439606920 /nfs/dbraw/zinc/60/69/20/439606920.db2.gz PPBUORKWKPRFSD-GHMZBOCLSA-N 0 3 326.378 0.895 20 5 ECBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000610262212 439606923 /nfs/dbraw/zinc/60/69/23/439606923.db2.gz PPBUORKWKPRFSD-GHMZBOCLSA-N 0 3 326.378 0.895 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](CO)[C@H](O)C1 ZINC000573754613 439664046 /nfs/dbraw/zinc/66/40/46/439664046.db2.gz IGHAWFMDQHUPPK-SWLSCSKDSA-N 0 3 337.376 0.907 20 5 ECBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCN1CC[C@@H](O)C1 ZINC000600528212 439674493 /nfs/dbraw/zinc/67/44/93/439674493.db2.gz QCPDPPMFGSKZIZ-OAHLLOKOSA-N 0 3 336.392 0.970 20 5 ECBDHN Cc1c(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595230196 439676361 /nfs/dbraw/zinc/67/63/61/439676361.db2.gz MFXBWNSUNBVIEY-QWRGUYRKSA-N 0 3 333.348 0.679 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H](n2cccn2)C(F)(F)F)c1 ZINC000600744504 439697222 /nfs/dbraw/zinc/69/72/22/439697222.db2.gz GOXYZPQOONBLHA-QWRGUYRKSA-N 0 3 348.285 0.742 20 5 ECBDHN COC(=O)CC[C@H](N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000288563088 320654988 /nfs/dbraw/zinc/65/49/88/320654988.db2.gz GVSRFOWPEMCEOK-JTQLQIEISA-N 0 3 325.321 0.500 20 5 ECBDHN CNS(=O)(=O)CCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331113628 320888424 /nfs/dbraw/zinc/88/84/24/320888424.db2.gz CTJGONALLLXTSA-UHFFFAOYSA-N 0 3 331.398 0.368 20 5 ECBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](OCCN(C)C)C2)n1 ZINC000342641539 321097188 /nfs/dbraw/zinc/09/71/88/321097188.db2.gz WUROJWXMQLGELN-NSHDSACASA-N 0 3 338.364 0.933 20 5 ECBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000353927150 321426402 /nfs/dbraw/zinc/42/64/02/321426402.db2.gz UJAYYEZLEKNVKM-LLVKDONJSA-N 0 3 349.347 0.872 20 5 ECBDHN COC[C@H](C)OC[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373242232 321802853 /nfs/dbraw/zinc/80/28/53/321802853.db2.gz LMYOSTGYCZHBCG-GXTWGEPZSA-N 0 3 342.396 0.841 20 5 ECBDHN CC(C)N1CCN([C@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000531340868 322038346 /nfs/dbraw/zinc/03/83/46/322038346.db2.gz ZFJYSMPMHGXNRV-HNNXBMFYSA-N 0 3 336.440 0.892 20 5 ECBDHN C[C@@H](CN1CCCC1=O)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000555338749 322179251 /nfs/dbraw/zinc/17/92/51/322179251.db2.gz MUBWIAFVVFGICU-JSGCOSHPSA-N 0 3 337.376 0.935 20 5 ECBDHN C[C@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000567605259 322589158 /nfs/dbraw/zinc/58/91/58/322589158.db2.gz KUHNCCNRNQSONB-PWSUYJOCSA-N 0 3 332.378 0.357 20 5 ECBDHN N[C@@H]1C[C@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])CCN2C1=O ZINC000569355531 322651719 /nfs/dbraw/zinc/65/17/19/322651719.db2.gz PWSUAILHMQBVGR-CMPLNLGQSA-N 0 3 327.344 0.891 20 5 ECBDHN N[C@H]1C[C@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000571344930 322718449 /nfs/dbraw/zinc/71/84/49/322718449.db2.gz XWEWYTGCMWZQNA-RYUDHWBXSA-N 0 3 338.751 0.632 20 5 ECBDHN O=C(NC[C@@H]1CNCCO1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000572878354 322752774 /nfs/dbraw/zinc/75/27/74/322752774.db2.gz AFUSNCIGNRLRRK-JTQLQIEISA-N 0 3 332.316 0.567 20 5 ECBDHN C[C@@H]1C[C@@H]1N1C[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000573676837 322765909 /nfs/dbraw/zinc/76/59/09/322765909.db2.gz RIZGKOKWNIAQHG-BHPKHCPMSA-N 0 3 349.387 0.933 20 5 ECBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000574523200 322780790 /nfs/dbraw/zinc/78/07/90/322780790.db2.gz LXGMCPVEBMFZJK-ZDUSSCGKSA-N 0 3 342.421 0.421 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000578453651 322864914 /nfs/dbraw/zinc/86/49/14/322864914.db2.gz AQMJHEQIZNHCAG-PSASIEDQSA-N 0 3 338.751 0.632 20 5 ECBDHN O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738370659 579624674 /nfs/dbraw/zinc/62/46/74/579624674.db2.gz XMKZFZJVUZJCNF-JTQLQIEISA-N 0 3 330.352 0.844 20 5 ECBDHN O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000738370659 579624675 /nfs/dbraw/zinc/62/46/75/579624675.db2.gz XMKZFZJVUZJCNF-JTQLQIEISA-N 0 3 330.352 0.844 20 5 ECBDHN CCC[C@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCN1 ZINC000895059075 586159042 /nfs/dbraw/zinc/15/90/42/586159042.db2.gz RBCQLMGJJAVWFI-LBPRGKRZSA-N 0 3 336.396 0.800 20 5 ECBDHN COC(=O)[C@@H]1CN(C)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839630838 586884960 /nfs/dbraw/zinc/88/49/60/586884960.db2.gz POOFWDJFLYKQKO-UKRRQHHQSA-N 0 3 337.376 0.665 20 5 ECBDHN CC(COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813112123 587248356 /nfs/dbraw/zinc/24/83/56/587248356.db2.gz BUZCJEISUJNECJ-SECBINFHSA-N 0 3 325.277 0.923 20 5 ECBDHN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105739 587248485 /nfs/dbraw/zinc/24/84/85/587248485.db2.gz TYLJUTZHWANOCS-NXEZZACHSA-N 0 3 346.361 0.570 20 5 ECBDHN CC(COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)[N+](=O)[O-] ZINC000813109078 587248503 /nfs/dbraw/zinc/24/85/03/587248503.db2.gz DXGSGNXRLACHDB-RBZYPMLTSA-N 0 3 327.337 0.696 20 5 ECBDHN Cc1c(C(=O)NC[C@H]2CNCCO2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818012132 587396959 /nfs/dbraw/zinc/39/69/59/587396959.db2.gz SAVULSOYTWVERF-SNVBAGLBSA-N 0 3 338.320 0.838 20 5 ECBDHN CN1CCN(C(=O)CCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819059169 587466567 /nfs/dbraw/zinc/46/65/67/587466567.db2.gz BLSNFDNRGNHQQO-HNNXBMFYSA-N 0 3 336.392 0.382 20 5 ECBDHN CN(C)CCN1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823970480 587846393 /nfs/dbraw/zinc/84/63/93/587846393.db2.gz DBVDWRDBGJZZHS-OAHLLOKOSA-N 0 3 336.392 0.334 20 5 ECBDHN CC([C@H](OC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccccc1F)[N+](=O)[O-] ZINC000845876559 589173851 /nfs/dbraw/zinc/17/38/51/589173851.db2.gz HMQUGQGHIYZWSH-ZHAHWJHGSA-N 0 3 346.336 0.767 20 5 ECBDHN CNc1nccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000847406507 589245920 /nfs/dbraw/zinc/24/59/20/589245920.db2.gz CQSIKZBCGPCLMZ-GHMZBOCLSA-N 0 3 335.364 0.625 20 5 ECBDHN C[NH+](C)C[C@](C)(O)C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848585541 589300899 /nfs/dbraw/zinc/30/08/99/589300899.db2.gz MQPCEZNHFIXLJL-CYBMUJFWSA-N 0 3 347.318 0.995 20 5 ECBDHN Cc1c(C(=O)N[C@@H](CO)CN(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000854466779 589588107 /nfs/dbraw/zinc/58/81/07/589588107.db2.gz KKVVCYQMGCKPQK-SNVBAGLBSA-N 0 3 340.336 0.772 20 5 ECBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000868343993 589894302 /nfs/dbraw/zinc/89/43/02/589894302.db2.gz MRCBWAWTHIPRRJ-QWHCGFSZSA-N 0 3 337.351 0.944 20 5 ECBDHN COCCN(CC1CCN(C)CC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000869764173 589977599 /nfs/dbraw/zinc/97/75/99/589977599.db2.gz NHIYYHFFODRTPO-UHFFFAOYSA-N 0 3 339.396 0.759 20 5 ECBDHN Cc1cc(C(=O)N[C@H]2C[C@H](CNCc3c([N+](=O)[O-])ncn3C)C2)no1 ZINC000983105502 754620450 /nfs/dbraw/zinc/62/04/50/754620450.db2.gz KOGRIAFYVFBKSZ-XYPYZODXSA-N 0 3 348.363 0.923 20 5 ECBDHN O=C(N[C@H]1C[C@@H](NCc2noc3c2CCCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063729 758226841 /nfs/dbraw/zinc/22/68/41/758226841.db2.gz JHWFLKUXTYCGGI-IQOUGMIPSA-N 0 3 334.376 0.955 20 5 ECBDHN O=C(CN1CCOCC1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020083790 772138090 /nfs/dbraw/zinc/13/80/90/772138090.db2.gz XWEZCFMTRMMXKM-SHTZXODSSA-N 0 3 348.403 0.664 20 5 ECBDHN CCN1CCn2c(nnc2C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001074109710 787897508 /nfs/dbraw/zinc/89/75/08/787897508.db2.gz ICVMHEFUYXKLHE-CHWSQXEVSA-N 0 3 348.407 0.485 20 5 ECBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1CC(=O)NC(=O)C1 ZINC001267440850 837420503 /nfs/dbraw/zinc/42/05/03/837420503.db2.gz YQTQRUSLHHPIRK-UHFFFAOYSA-N 0 3 348.359 0.196 20 5 ECBDHN NC(=O)CCN(Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174709733 231285544 /nfs/dbraw/zinc/28/55/44/231285544.db2.gz UROVEEWJFGCLST-HNNXBMFYSA-N 0 3 347.375 0.530 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2CCNC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000183756926 235217661 /nfs/dbraw/zinc/21/76/61/235217661.db2.gz GSADIAFSYSLODS-UHFFFAOYSA-N 0 3 334.376 0.843 20 5 ECBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000355309184 299236705 /nfs/dbraw/zinc/23/67/05/299236705.db2.gz CFYVRWQROIJJKI-LLVKDONJSA-N 0 3 325.369 0.809 20 5 ECBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000355309184 299236707 /nfs/dbraw/zinc/23/67/07/299236707.db2.gz CFYVRWQROIJJKI-LLVKDONJSA-N 0 3 325.369 0.809 20 5 ECBDHN Cc1n[nH]c(C(=O)NCc2ccncc2OCCN(C)C)c1[N+](=O)[O-] ZINC000356477001 299393504 /nfs/dbraw/zinc/39/35/04/299393504.db2.gz NINOLTCJQIRHPZ-UHFFFAOYSA-N 0 3 348.363 0.892 20 5 ECBDHN COc1cc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1O ZINC000080846828 217337067 /nfs/dbraw/zinc/33/70/67/217337067.db2.gz TZXXTASHIQOEKD-CYBMUJFWSA-N 0 3 336.348 0.998 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]CC[N@H+](CC)C(C)C)c([N+](=O)[O-])n1 ZINC000444165734 211054522 /nfs/dbraw/zinc/05/45/22/211054522.db2.gz HRLNKBQURXUNBZ-UHFFFAOYSA-N 0 3 333.414 0.820 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]CC[N@@H+](CC)C(C)C)c([N+](=O)[O-])n1 ZINC000444165734 211054529 /nfs/dbraw/zinc/05/45/29/211054529.db2.gz HRLNKBQURXUNBZ-UHFFFAOYSA-N 0 3 333.414 0.820 20 5 ECBDHN NC(=O)[C@@]1(c2ccccc2)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000411955962 208178694 /nfs/dbraw/zinc/17/86/94/208178694.db2.gz ARYGMPZITXNUTP-INIZCTEOSA-N 0 3 329.360 0.920 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000193154227 165053002 /nfs/dbraw/zinc/05/30/02/165053002.db2.gz FZQNXLBFMUFTEC-UHFFFAOYSA-N 0 3 346.391 0.791 20 5 ECBDHN CS(=O)(=O)C1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCNCC1 ZINC000262055128 165282581 /nfs/dbraw/zinc/28/25/81/165282581.db2.gz HVKRSEIAZPXCLG-UHFFFAOYSA-N 0 3 341.389 0.378 20 5 ECBDHN COC[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC[NH2+]1 ZINC000262343476 165333283 /nfs/dbraw/zinc/33/32/83/165333283.db2.gz SYDGDYLTRWNUNM-NSHDSACASA-N 0 3 335.407 0.703 20 5 ECBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(c2ccncc2)CC1 ZINC000301078654 296881810 /nfs/dbraw/zinc/88/18/10/296881810.db2.gz IHNIRSAMPHIDFW-UHFFFAOYSA-N 0 3 328.332 0.810 20 5 ECBDHN CS[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1N1CCCC1 ZINC000331639214 296950486 /nfs/dbraw/zinc/95/04/86/296950486.db2.gz UISAISCHWFHOLE-NEPJUHHUSA-N 0 3 339.421 0.980 20 5 ECBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331688175 296957292 /nfs/dbraw/zinc/95/72/92/296957292.db2.gz WHGKTSILBMYTIO-KGLIPLIRSA-N 0 3 346.387 0.988 20 5 ECBDHN COc1cc(C(=O)NC[C@@](C)(O)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000269875843 263209763 /nfs/dbraw/zinc/20/97/63/263209763.db2.gz GZKVJNPHEFBBIJ-OAHLLOKOSA-N 0 3 341.364 0.654 20 5 ECBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H]1N(C)C ZINC000270376135 263238095 /nfs/dbraw/zinc/23/80/95/263238095.db2.gz OBKBHFSEPHRPMZ-QWRGUYRKSA-N 0 3 325.394 0.571 20 5 ECBDHN CN(CCCN1CCN(C)CC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272378268 263345634 /nfs/dbraw/zinc/34/56/34/263345634.db2.gz FJZJSMZRJQWHRB-UHFFFAOYSA-N 0 3 335.408 0.887 20 5 ECBDHN C[C@@H](CO)[C@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000295796151 265080408 /nfs/dbraw/zinc/08/04/08/265080408.db2.gz SBOVCNVSISRYHN-IUCAKERBSA-N 0 3 325.321 0.869 20 5 ECBDHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000189389537 437597364 /nfs/dbraw/zinc/59/73/64/437597364.db2.gz NTMRUEUXXGSNSG-CYBMUJFWSA-N 0 3 336.392 0.922 20 5 ECBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000331851548 296974419 /nfs/dbraw/zinc/97/44/19/296974419.db2.gz OOROBZSDVGXCMB-UHFFFAOYSA-N 0 3 335.364 0.303 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]CC[N@H+](C)C2CCCC2)c([N+](=O)[O-])n1 ZINC000339043253 297316448 /nfs/dbraw/zinc/31/64/48/297316448.db2.gz WRJYLCBMPVABPC-UHFFFAOYSA-N 0 3 345.425 0.964 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]CC[N@@H+](C)C2CCCC2)c([N+](=O)[O-])n1 ZINC000339043253 297316450 /nfs/dbraw/zinc/31/64/50/297316450.db2.gz WRJYLCBMPVABPC-UHFFFAOYSA-N 0 3 345.425 0.964 20 5 ECBDHN CNC(=O)NC(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345646812 298179191 /nfs/dbraw/zinc/17/91/91/298179191.db2.gz TUHKJZVENDPZBO-SNVBAGLBSA-N 0 3 336.352 0.322 20 5 ECBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN([C@H]4COC[C@@H]4O)CC3)nc2c1 ZINC000361333418 300083415 /nfs/dbraw/zinc/08/34/15/300083415.db2.gz AEAREVXTEHRDSZ-GJZGRUSLSA-N 0 3 347.375 0.743 20 5 ECBDHN C[C@@H]1OCC[C@@H]1N(CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361588429 300108749 /nfs/dbraw/zinc/10/87/49/300108749.db2.gz RSBFUKOIYUVQJX-NOLJZWGESA-N 0 3 340.376 0.806 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(CCN(C)C)CC1 ZINC000077456341 436239354 /nfs/dbraw/zinc/23/93/54/436239354.db2.gz SSLOAIGSFFKOLJ-UHFFFAOYSA-N 0 3 338.412 0.196 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCCC1 ZINC000053283875 436528167 /nfs/dbraw/zinc/52/81/67/436528167.db2.gz JBKJGVVIUCIPOY-LBPRGKRZSA-N 0 3 334.376 0.925 20 5 ECBDHN COCCNCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000237338500 436730758 /nfs/dbraw/zinc/73/07/58/436730758.db2.gz QONGQBVTWFCMEK-UHFFFAOYSA-N 0 3 334.336 0.141 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237454089 436736850 /nfs/dbraw/zinc/73/68/50/436736850.db2.gz FKXSESZSTZKHRA-WOPDTQHZSA-N 0 3 334.376 0.922 20 5 ECBDHN CC[NH+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000124910645 436758289 /nfs/dbraw/zinc/75/82/89/436758289.db2.gz XHNYNJWLXAIHDX-UHFFFAOYSA-N 0 3 337.380 0.453 20 5 ECBDHN COCCN1CCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000069499780 436776289 /nfs/dbraw/zinc/77/62/89/436776289.db2.gz WUXXBQDNRKYPGS-ZDUSSCGKSA-N 0 3 339.396 0.717 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C ZINC000161438512 436889563 /nfs/dbraw/zinc/88/95/63/436889563.db2.gz AYXLSLXXZHNYSN-ZDUSSCGKSA-N 0 3 331.394 0.494 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1 ZINC000161414148 436890570 /nfs/dbraw/zinc/89/05/70/436890570.db2.gz PKVVWHWSGFZSIF-UHFFFAOYSA-N 0 3 343.405 0.577 20 5 ECBDHN Cc1nn(C)c(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000161860849 436898456 /nfs/dbraw/zinc/89/84/56/436898456.db2.gz IUVLGMUEVKHKNO-LBPRGKRZSA-N 0 3 336.396 0.555 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@]2(CO)CCc3ccccc32)c1 ZINC000136186647 436929511 /nfs/dbraw/zinc/92/95/11/436929511.db2.gz IVOFMJQJRTVFLH-HOCLYGCPSA-N 0 3 332.360 0.576 20 5 ECBDHN COCCN(C)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000263759039 436984905 /nfs/dbraw/zinc/98/49/05/436984905.db2.gz KSQHVTXFLADTJQ-UHFFFAOYSA-N 0 3 340.380 0.981 20 5 ECBDHN COC(=O)C1CCN(CCCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000298727222 437049309 /nfs/dbraw/zinc/04/93/09/437049309.db2.gz QTWQHYPWXOBGML-UHFFFAOYSA-N 0 3 338.368 0.654 20 5 ECBDHN CC(C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)S(C)(=O)=O ZINC000276352072 437092899 /nfs/dbraw/zinc/09/28/99/437092899.db2.gz NWNROFPMJOSULA-SECBINFHSA-N 0 3 328.346 0.618 20 5 ECBDHN Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000316266671 437185588 /nfs/dbraw/zinc/18/55/88/437185588.db2.gz AZKHALBPXCCBIT-LLVKDONJSA-N 0 3 328.394 0.167 20 5 ECBDHN COC[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178006909 437202821 /nfs/dbraw/zinc/20/28/21/437202821.db2.gz XXUZEDYBWVTUQV-AWEZNQCLSA-N 0 3 343.405 0.888 20 5 ECBDHN Nc1c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc(F)cc1[N+](=O)[O-] ZINC000326910467 437234569 /nfs/dbraw/zinc/23/45/69/437234569.db2.gz NVNYQKQDPGLIOF-WDEREUQCSA-N 0 3 338.339 0.909 20 5 ECBDHN COCCN(C)C[C@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000326758924 437235317 /nfs/dbraw/zinc/23/53/17/437235317.db2.gz NJJGFFUIEPPLTC-AWEZNQCLSA-N 0 3 335.364 0.792 20 5 ECBDHN O=C1c2ccccc2C(=O)N1CCNCCn1cc([N+](=O)[O-])cn1 ZINC000278497344 437317863 /nfs/dbraw/zinc/31/78/63/437317863.db2.gz MWXDVLQEARGMMC-UHFFFAOYSA-N 0 3 329.316 0.677 20 5 ECBDHN CN(C)[C@]1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCSC1 ZINC000267120656 437291524 /nfs/dbraw/zinc/29/15/24/437291524.db2.gz TWDLZJGWSPGHTN-ZDUSSCGKSA-N 0 3 325.394 0.938 20 5 ECBDHN CCN(C)CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000354021889 437507044 /nfs/dbraw/zinc/50/70/44/437507044.db2.gz IKNAKUADVKUBSO-UHFFFAOYSA-N 0 3 336.348 0.388 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291790496 437627019 /nfs/dbraw/zinc/62/70/19/437627019.db2.gz MRMVRTLSROKOLY-IAGOWNOFSA-N 0 3 346.387 0.788 20 5 ECBDHN CN1CC[C@]2(CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C2)C1 ZINC000292329133 437680432 /nfs/dbraw/zinc/68/04/32/437680432.db2.gz PHEZCBGWSOWQBW-AWEZNQCLSA-N 0 3 340.405 0.774 20 5 ECBDHN C[C@@H]1COCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192567779 437682316 /nfs/dbraw/zinc/68/23/16/437682316.db2.gz SDNMSYNZPRGTHV-NEPJUHHUSA-N 0 3 343.405 0.888 20 5 ECBDHN CN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000192974025 437696546 /nfs/dbraw/zinc/69/65/46/437696546.db2.gz NIXOVRXJIDNFCQ-UHFFFAOYSA-N 0 3 334.376 0.877 20 5 ECBDHN CN1C[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000192921807 437696897 /nfs/dbraw/zinc/69/68/97/437696897.db2.gz UFYSPMKMTSELER-BETUJISGSA-N 0 3 325.390 0.918 20 5 ECBDHN CCn1cc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)c([N+](=O)[O-])n1 ZINC000331238850 437724657 /nfs/dbraw/zinc/72/46/57/437724657.db2.gz VXAILERVANNZOP-SNVBAGLBSA-N 0 3 331.398 0.526 20 5 ECBDHN CC(C)c1[nH]nc(C(=O)N2CCCN([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347098154 437831798 /nfs/dbraw/zinc/83/17/98/437831798.db2.gz LKHFOBWIVBEIEB-LLVKDONJSA-N 0 3 339.396 0.970 20 5 ECBDHN C[C@@H](C[NH3+])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000347637732 437920235 /nfs/dbraw/zinc/92/02/35/437920235.db2.gz ZKKYMBYCZFMNEQ-LURJTMIESA-N 0 3 338.183 0.983 20 5 ECBDHN COc1ccc(S(=O)(=O)NC[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000416492644 437944071 /nfs/dbraw/zinc/94/40/71/437944071.db2.gz AQJCJVJEXFPSMK-JTQLQIEISA-N 0 3 329.378 0.833 20 5 ECBDHN C[C@@H](CCN1CCN(C)CC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357452759 437991202 /nfs/dbraw/zinc/99/12/02/437991202.db2.gz ICGOPFLJIMCCMX-NSHDSACASA-N 0 3 336.396 0.527 20 5 ECBDHN COc1cnccc1N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000358287280 438192309 /nfs/dbraw/zinc/19/23/09/438192309.db2.gz HTXLTYSFRTZWBL-UHFFFAOYSA-N 0 3 346.347 0.544 20 5 ECBDHN CN(C[C@H]1CCCN1C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000420637416 438417365 /nfs/dbraw/zinc/41/73/65/438417365.db2.gz OMTHJQJSFLDEJY-SNVBAGLBSA-N 0 3 328.394 0.773 20 5 ECBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000359581287 438463047 /nfs/dbraw/zinc/46/30/47/438463047.db2.gz WRMXASHOBNUNSR-WFASDCNBSA-N 0 3 326.349 0.418 20 5 ECBDHN O=C(CN[C@H](CO)C1CCOCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000359856873 438511122 /nfs/dbraw/zinc/51/11/22/438511122.db2.gz CWACDSVKBDJDPO-OAHLLOKOSA-N 0 3 349.387 0.861 20 5 ECBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)CN3CCOCC3)CC2)n1 ZINC000370058898 438548341 /nfs/dbraw/zinc/54/83/41/438548341.db2.gz CJAQHBCHSDABCA-CQSZACIVSA-N 0 3 339.396 0.121 20 5 ECBDHN C[C@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422984472 438624284 /nfs/dbraw/zinc/62/42/84/438624284.db2.gz XWIOLUVIZBGZJE-RYUDHWBXSA-N 0 3 342.421 0.603 20 5 ECBDHN Cc1ccsc1[C@H](CO)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494636855 438700715 /nfs/dbraw/zinc/70/07/15/438700715.db2.gz MMAVKYBYWQOBDT-RYUDHWBXSA-N 0 3 326.378 0.845 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](Cn2ccnn2)C1 ZINC000595608415 438833753 /nfs/dbraw/zinc/83/37/53/438833753.db2.gz PGPQHHXDPDWIKS-ZIAGYGMSSA-N 0 3 347.375 0.948 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000514952065 438841562 /nfs/dbraw/zinc/84/15/62/438841562.db2.gz SBUDBGDHPNNPCO-NWDGAFQWSA-N 0 3 337.311 0.510 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000514952070 438841751 /nfs/dbraw/zinc/84/17/51/438841751.db2.gz SBUDBGDHPNNPCO-VXGBXAGGSA-N 0 3 337.311 0.510 20 5 ECBDHN O=C1CC[C@@H]2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000595742151 438855033 /nfs/dbraw/zinc/85/50/33/438855033.db2.gz OOLJOAUTZFFYLH-IVMMDQJWSA-N 0 3 349.387 0.935 20 5 ECBDHN CN(C)CCOc1cc(CNc2ccc(N)c([N+](=O)[O-])n2)ccn1 ZINC000596179110 438936861 /nfs/dbraw/zinc/93/68/61/438936861.db2.gz MJHUBWJVXQZITB-UHFFFAOYSA-N 0 3 332.364 1.520 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@](O)(CO)C2)c1 ZINC000459652094 438984970 /nfs/dbraw/zinc/98/49/70/438984970.db2.gz QBQQNWBPJIQAQE-DZGCQCFKSA-N 0 3 326.349 0.154 20 5 ECBDHN O=C(Nc1ccncc1[N+](=O)[O-])NC1CCN([C@@H]2CCOC2)CC1 ZINC000596817839 439004757 /nfs/dbraw/zinc/00/47/57/439004757.db2.gz SPGVXYKEENQRBG-GFCCVEGCSA-N 0 3 335.364 0.787 20 5 ECBDHN [NH3+]CCCCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592145115 439165176 /nfs/dbraw/zinc/16/51/76/439165176.db2.gz PTXNBCYRDXODLE-UHFFFAOYSA-N 0 3 344.393 0.118 20 5 ECBDHN COC(=O)c1cc(C(=O)N2CCN(C)C[C@@H]2CN)cc([N+](=O)[O-])c1 ZINC000592308222 439199537 /nfs/dbraw/zinc/19/95/37/439199537.db2.gz CAEGZDYNQMFLEG-ZDUSSCGKSA-N 0 3 336.348 0.096 20 5 ECBDHN COCCN(C)C[C@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000569235239 439315726 /nfs/dbraw/zinc/31/57/26/439315726.db2.gz RXBXPQVWVLZOJR-HNNXBMFYSA-N 0 3 339.392 0.728 20 5 ECBDHN COC[C@@H]1C[C@@H](O)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593060586 439335214 /nfs/dbraw/zinc/33/52/14/439335214.db2.gz CPLUGDNJBSBCOO-MJBXVCDLSA-N 0 3 326.349 0.416 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1=O ZINC000593235639 439355748 /nfs/dbraw/zinc/35/57/48/439355748.db2.gz WZOVQJGGWIFSDA-UHFFFAOYSA-N 0 3 326.378 0.502 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([NH3+])CCOCC2)cc1C ZINC000599101049 439356844 /nfs/dbraw/zinc/35/68/44/439356844.db2.gz HCZPAKHXSOTZCH-UHFFFAOYSA-N 0 3 343.405 0.998 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CO)Cc2ccncc2)c1 ZINC000582785396 439380392 /nfs/dbraw/zinc/38/03/92/439380392.db2.gz DXQKMQGHRXRFIS-GOEBONIOSA-N 0 3 347.371 0.923 20 5 ECBDHN CC(C)(CO)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000570791142 439450566 /nfs/dbraw/zinc/45/05/66/439450566.db2.gz RNEAKDXTKDVITL-LSDHHAIUSA-N 0 3 349.391 0.897 20 5 ECBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027057 439510211 /nfs/dbraw/zinc/51/02/11/439510211.db2.gz LARFDEZFINTTIA-RWMBFGLXSA-N 0 3 334.376 0.673 20 5 ECBDHN N[C@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000583511172 439475830 /nfs/dbraw/zinc/47/58/30/439475830.db2.gz RZFVBTOAMOHLOP-CABZTGNLSA-N 0 3 338.751 0.632 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027425 439510556 /nfs/dbraw/zinc/51/05/56/439510556.db2.gz OQDYOLLDFTYUDP-QWHCGFSZSA-N 0 3 334.376 0.593 20 5 ECBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594393745 439553771 /nfs/dbraw/zinc/55/37/71/439553771.db2.gz OTSVPBMAKNIYIX-QWHCGFSZSA-N 0 3 335.360 0.641 20 5 ECBDHN CCN(CCN)C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599942730 439582686 /nfs/dbraw/zinc/58/26/86/439582686.db2.gz YDXAEYYDGBEINT-UHFFFAOYSA-N 0 3 342.783 0.714 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)CCN2C1=O ZINC000594702742 439593407 /nfs/dbraw/zinc/59/34/07/439593407.db2.gz WHEZWDGYJJQXKX-DGCLKSJQSA-N 0 3 327.344 0.891 20 5 ECBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC(=O)N(C)C1 ZINC000572682261 439601100 /nfs/dbraw/zinc/60/11/00/439601100.db2.gz KGEJNYFHOSCEPG-QWHCGFSZSA-N 0 3 337.376 0.887 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572856912 439613498 /nfs/dbraw/zinc/61/34/98/439613498.db2.gz HTJDQUNAGSIXFO-NWDGAFQWSA-N 0 3 347.375 0.987 20 5 ECBDHN COc1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595231229 439676553 /nfs/dbraw/zinc/67/65/53/439676553.db2.gz NYELLBAHGRZGQK-MNOVXSKESA-N 0 3 349.347 0.379 20 5 ECBDHN Cc1c(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000595273525 439686728 /nfs/dbraw/zinc/68/67/28/439686728.db2.gz HQHCEQJLMDOQFI-UHFFFAOYSA-N 0 3 346.347 0.857 20 5 ECBDHN C[C@@H](CN(C)C)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000287283849 320648788 /nfs/dbraw/zinc/64/87/88/320648788.db2.gz UCDCPUVUWZXGID-VIFPVBQESA-N 0 3 340.405 0.852 20 5 ECBDHN COc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000324725748 320720866 /nfs/dbraw/zinc/72/08/66/320720866.db2.gz GNAUXZIBQURUAG-ZDUSSCGKSA-N 0 3 336.348 0.959 20 5 ECBDHN CN(C)C[C@H](O)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353499836 321395647 /nfs/dbraw/zinc/39/56/47/321395647.db2.gz DOGLEGLURRNEPB-CABCVRRESA-N 0 3 333.392 0.930 20 5 ECBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000353927153 321426411 /nfs/dbraw/zinc/42/64/11/321426411.db2.gz UJAYYEZLEKNVKM-NSHDSACASA-N 0 3 349.347 0.872 20 5 ECBDHN COCCCN(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000362346145 321635713 /nfs/dbraw/zinc/63/57/13/321635713.db2.gz SSJAHRPUKGHGOZ-UHFFFAOYSA-N 0 3 339.396 0.901 20 5 ECBDHN N[C@H]1C[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CCN2C1=O ZINC000563430840 322317213 /nfs/dbraw/zinc/31/72/13/322317213.db2.gz BAASCBRXPXJOTJ-RYUDHWBXSA-N 0 3 327.344 0.891 20 5 ECBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569379443 322652925 /nfs/dbraw/zinc/65/29/25/322652925.db2.gz CRUNLXGZNLXEIM-WOPDTQHZSA-N 0 3 347.375 0.166 20 5 ECBDHN CC(C)Oc1nc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000570409012 322686834 /nfs/dbraw/zinc/68/68/34/322686834.db2.gz DYPWVBXTWTXUQR-QWRGUYRKSA-N 0 3 335.364 0.525 20 5 ECBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)NC1CNC1 ZINC000572501141 322746019 /nfs/dbraw/zinc/74/60/19/322746019.db2.gz VFWNHWGAQDRJCK-UHFFFAOYSA-N 0 3 346.265 0.318 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000574340549 322777724 /nfs/dbraw/zinc/77/77/24/322777724.db2.gz JJWXMRBNHBAGPX-VXGBXAGGSA-N 0 3 347.375 0.987 20 5 ECBDHN N[C@@H]1C[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C1=O ZINC000577077746 322824424 /nfs/dbraw/zinc/82/44/24/322824424.db2.gz OTDYXKOIPZGDRL-WDEREUQCSA-N 0 3 331.332 0.480 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000266592818 536000771 /nfs/dbraw/zinc/00/07/71/536000771.db2.gz XVVWVJPXWRPRGK-NSHDSACASA-N 0 3 337.380 0.675 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CCO)c2cccs2)c1 ZINC000754381803 579417337 /nfs/dbraw/zinc/41/73/37/579417337.db2.gz LBNMIXKKCOCFMT-NWDGAFQWSA-N 0 3 326.378 0.927 20 5 ECBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000726163898 578138606 /nfs/dbraw/zinc/13/86/06/578138606.db2.gz OQPBYZYLYHBJBR-QWRGUYRKSA-N 0 3 349.343 0.917 20 5 ECBDHN CN(C)CCOc1ccc(N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000732005625 578318282 /nfs/dbraw/zinc/31/82/82/578318282.db2.gz FNXAGWXDKVRKJW-UHFFFAOYSA-N 0 3 348.363 0.790 20 5 ECBDHN O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2nnn[n-]2)c1 ZINC000738373500 579624979 /nfs/dbraw/zinc/62/49/79/579624979.db2.gz DWCXUFACBKJVSU-GXSJLCMTSA-N 0 3 346.351 0.445 20 5 ECBDHN O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2nnn[n-]2)c1 ZINC000738373500 579624980 /nfs/dbraw/zinc/62/49/80/579624980.db2.gz DWCXUFACBKJVSU-GXSJLCMTSA-N 0 3 346.351 0.445 20 5 ECBDHN COc1ccc([C@H](O)CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000743259674 579796106 /nfs/dbraw/zinc/79/61/06/579796106.db2.gz JUKOYLCUBHSMJX-DZGCQCFKSA-N 0 3 336.348 0.484 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000808173581 587147537 /nfs/dbraw/zinc/14/75/37/587147537.db2.gz BXQRDLOMTMOPIB-MRVPVSSYSA-N 0 3 325.350 0.252 20 5 ECBDHN COc1ccc(C(=O)NCC(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813102213 587248070 /nfs/dbraw/zinc/24/80/70/587248070.db2.gz PIDYJANGEZLQBF-SECBINFHSA-N 0 3 326.305 0.642 20 5 ECBDHN CC(COC(=O)CN1C(=O)c2ccccc2S1(=O)=O)[N+](=O)[O-] ZINC000813102757 587248159 /nfs/dbraw/zinc/24/81/59/587248159.db2.gz USQNVXZWYMCUFC-QMMMGPOBSA-N 0 3 328.302 0.040 20 5 ECBDHN CC(COC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)[N+](=O)[O-] ZINC000813112117 587248552 /nfs/dbraw/zinc/24/85/52/587248552.db2.gz ZZBVEZUTSWZRHW-VIFPVBQESA-N 0 3 341.345 0.276 20 5 ECBDHN CC(COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[N+](=O)[O-] ZINC000813113495 587248966 /nfs/dbraw/zinc/24/89/66/587248966.db2.gz QZCQYTFIRMFHFV-SSDOTTSWSA-N 0 3 332.290 0.820 20 5 ECBDHN COC(=O)c1cn(CCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000819296643 587475485 /nfs/dbraw/zinc/47/54/85/587475485.db2.gz AWBBLAUVYZRWCQ-ZDUSSCGKSA-N 0 3 335.320 0.296 20 5 ECBDHN CC(C)S(=O)(=O)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819317188 587476596 /nfs/dbraw/zinc/47/65/96/587476596.db2.gz PJOBTFUIYGPMCL-GFCCVEGCSA-N 0 3 346.405 0.747 20 5 ECBDHN CC[C@H](CNS(C)(=O)=O)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819342680 587476983 /nfs/dbraw/zinc/47/69/83/587476983.db2.gz AOVPSRJHOVCJFZ-DGCLKSJQSA-N 0 3 331.394 0.546 20 5 ECBDHN CC[C@@H](CNS(C)(=O)=O)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819342678 587477012 /nfs/dbraw/zinc/47/70/12/587477012.db2.gz AOVPSRJHOVCJFZ-AAEUAGOBSA-N 0 3 331.394 0.546 20 5 ECBDHN CN1CCC(ONC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000819692060 587485705 /nfs/dbraw/zinc/48/57/05/587485705.db2.gz DSGWDZJUECONEC-UHFFFAOYSA-N 0 3 346.347 0.931 20 5 ECBDHN CN(C)CCN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000844377923 589109819 /nfs/dbraw/zinc/10/98/19/589109819.db2.gz YWKAVOSGRLDFFA-OAHLLOKOSA-N 0 3 336.392 0.334 20 5 ECBDHN CC([C@@H](OC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccccc1F)[N+](=O)[O-] ZINC000845876557 589173849 /nfs/dbraw/zinc/17/38/49/589173849.db2.gz HMQUGQGHIYZWSH-JFUSQASVSA-N 0 3 346.336 0.767 20 5 ECBDHN CC([C@@H](OC(=O)CN1CCOCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845884407 589174405 /nfs/dbraw/zinc/17/44/05/589174405.db2.gz YZWRHLYAURSCOI-ZUZCIYMTSA-N 0 3 340.307 0.934 20 5 ECBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848766786 589310250 /nfs/dbraw/zinc/31/02/50/589310250.db2.gz YFTCRUVEDOLTSU-QWHCGFSZSA-N 0 3 348.359 0.807 20 5 ECBDHN O=C1OCCN1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000852723160 589507375 /nfs/dbraw/zinc/50/73/75/589507375.db2.gz PPWFOOALJSWHLK-ZDUSSCGKSA-N 0 3 339.352 0.069 20 5 ECBDHN CN(C)CCN1C[C@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000854497655 589589684 /nfs/dbraw/zinc/58/96/84/589589684.db2.gz UJAGRTOYPBGURO-SNVBAGLBSA-N 0 3 335.364 0.526 20 5 ECBDHN Cc1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000861710208 589877576 /nfs/dbraw/zinc/87/75/76/589877576.db2.gz AOJKHTUOKSLLLU-NWDGAFQWSA-N 0 3 334.376 0.767 20 5 ECBDHN CON(C)C(=O)[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000863587600 590025411 /nfs/dbraw/zinc/02/54/11/590025411.db2.gz ZMDYADFJJRDQKR-GHMZBOCLSA-N 0 3 327.337 0.332 20 5 ECBDHN CON(C)C(=O)[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000863588058 590025728 /nfs/dbraw/zinc/02/57/28/590025728.db2.gz ZOPPURIHHCLPFK-JQWIXIFHSA-N 0 3 327.337 0.332 20 5 ECBDHN CN1CCC(NC(=O)Cn2cc(Cl)cc([N+](=O)[O-])c2=O)CC1 ZINC000865360199 590141308 /nfs/dbraw/zinc/14/13/08/590141308.db2.gz DBLUUGZLPDPOPI-UHFFFAOYSA-N 0 3 328.756 0.620 20 5 ECBDHN O=C1COC[C@@]2(CNC/C=C/c3ccccc3[N+](=O)[O-])COCCN12 ZINC000865800614 590158773 /nfs/dbraw/zinc/15/87/73/590158773.db2.gz KZGYCFHSKZDVBS-NJELEJDNSA-N 0 3 347.371 0.825 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(N2CCN(C)CC2)CC1 ZINC000879594607 590326856 /nfs/dbraw/zinc/32/68/56/590326856.db2.gz NYGNTLXTECYZAA-UHFFFAOYSA-N 0 3 336.440 0.812 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)c2ncc[nH]2)CC1 ZINC000940099670 610212943 /nfs/dbraw/zinc/21/29/43/610212943.db2.gz TXNKDXXJXIYQIY-UHFFFAOYSA-N 0 3 347.379 0.836 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CNCCO2)c1 ZINC000842483681 611313541 /nfs/dbraw/zinc/31/35/41/611313541.db2.gz PZXDAROLJRQXDX-VIFPVBQESA-N 0 3 349.796 0.823 20 5 ECBDHN O=C(CCc1c[nH]cn1)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000949077036 611843510 /nfs/dbraw/zinc/84/35/10/611843510.db2.gz YHDZEOQVIBUEHZ-ZIAGYGMSSA-N 0 3 349.391 0.362 20 5 ECBDHN Cn1cncc1C(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000996775222 742842934 /nfs/dbraw/zinc/84/29/34/742842934.db2.gz IJDIXGREAWBOGW-UHFFFAOYSA-N 0 3 347.379 0.456 20 5 ECBDHN Cc1nocc1C(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC000984726682 746880671 /nfs/dbraw/zinc/88/06/71/746880671.db2.gz VCXUAQWNIGBQEU-XYPYZODXSA-N 0 3 348.363 0.923 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000984958372 747168826 /nfs/dbraw/zinc/16/88/26/747168826.db2.gz HMIWNPDQTUGLEC-XYPYZODXSA-N 0 3 347.379 0.279 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2cnccn2)C1 ZINC000983037935 754478603 /nfs/dbraw/zinc/47/86/03/754478603.db2.gz VQMLTMDGWGPHJY-XYPYZODXSA-N 0 3 345.363 0.417 20 5 ECBDHN Cn1c(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nnc1C1CC1 ZINC001022063960 758228324 /nfs/dbraw/zinc/22/83/24/758228324.db2.gz QZFZQHOJAMAHJV-WRWGMCAJSA-N 0 3 334.380 0.095 20 5 ECBDHN O=C(N[C@H]1C[C@@H](NCc2nnc3n2CCCCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064075 758228628 /nfs/dbraw/zinc/22/86/28/758228628.db2.gz URMQUJLRDORKJU-YVECIDJPSA-N 0 3 348.407 0.407 20 5 ECBDHN Cc1nnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1C1CC1 ZINC001020139146 772205461 /nfs/dbraw/zinc/20/54/61/772205461.db2.gz SYUAZFATPRXXIB-FPQZTECRSA-N 0 3 334.380 0.323 20 5 ECBDHN CC(C)c1nnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1C ZINC001020139019 772205565 /nfs/dbraw/zinc/20/55/65/772205565.db2.gz MORCABMXLQRTQL-DDHJBXDOSA-N 0 3 336.396 0.341 20 5 ECBDHN Cc1cnn([C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000174785866 231309951 /nfs/dbraw/zinc/30/99/51/231309951.db2.gz ZJNMPWZMHVLEGE-HIFRSBDPSA-N 0 3 334.380 0.994 20 5 ECBDHN CNC(=O)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181521733 529842240 /nfs/dbraw/zinc/84/22/40/529842240.db2.gz YQUYYYXBSCUTOR-ZDUSSCGKSA-N 0 3 337.376 0.793 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000178712024 232398109 /nfs/dbraw/zinc/39/81/09/232398109.db2.gz ABURAVQTGAIATR-INIZCTEOSA-N 0 3 347.375 0.823 20 5 ECBDHN C[C@@H]([NH3+])C[C@H](C)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422977582 296021022 /nfs/dbraw/zinc/02/10/22/296021022.db2.gz FWLPFNOYUAXRCC-MNOVXSKESA-N 0 3 330.410 0.589 20 5 ECBDHN CCN(CC)CC(=O)N1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355932790 299322010 /nfs/dbraw/zinc/32/20/10/299322010.db2.gz QSNOGWWLGHIBRU-UHFFFAOYSA-N 0 3 338.412 0.314 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(N(C)C)CC1 ZINC000419809583 209210227 /nfs/dbraw/zinc/21/02/27/209210227.db2.gz KSOPLHIVLDIMMK-UHFFFAOYSA-N 0 3 336.348 0.752 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCN1CC[NH2+]CC1 ZINC000237666197 242744922 /nfs/dbraw/zinc/74/49/22/242744922.db2.gz RXBSEBZBHOMKQN-UHFFFAOYSA-N 0 3 342.421 0.477 20 5 ECBDHN CCN(CC)CC(=O)N1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000264205268 246180929 /nfs/dbraw/zinc/18/09/29/246180929.db2.gz KDQUESQWYWDLJM-UHFFFAOYSA-N 0 3 338.412 0.627 20 5 ECBDHN COCCOC[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557172 211329441 /nfs/dbraw/zinc/32/94/41/211329441.db2.gz BMUGWWFLPCNKSD-GXTWGEPZSA-N 0 3 340.380 0.500 20 5 ECBDHN C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[C@@H]1N1CCN(C)CC1 ZINC000408032671 207820059 /nfs/dbraw/zinc/82/00/59/207820059.db2.gz AJLJKGPACMEASG-KBPBESRZSA-N 0 3 336.440 0.786 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411953467 208178077 /nfs/dbraw/zinc/17/80/77/208178077.db2.gz UGYVYTPFHHQVTI-ARFHVFGLSA-N 0 3 332.360 0.960 20 5 ECBDHN NC(=O)[C@@]1(c2ccccc2)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000411958688 208178326 /nfs/dbraw/zinc/17/83/26/208178326.db2.gz CJCMPSZZBCLQIC-INIZCTEOSA-N 0 3 329.360 0.920 20 5 ECBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000419281822 209050153 /nfs/dbraw/zinc/05/01/53/209050153.db2.gz XZFGUWDHPJBKBV-LBPRGKRZSA-N 0 3 334.376 0.902 20 5 ECBDHN COC[C@@]1(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262357389 165337169 /nfs/dbraw/zinc/33/71/69/165337169.db2.gz VEPYFQDLURRYLP-AWEZNQCLSA-N 0 3 343.405 0.783 20 5 ECBDHN O=C1CCCN1C[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331427424 296929924 /nfs/dbraw/zinc/92/99/24/296929924.db2.gz SBZGODYLHBIISZ-ZDUSSCGKSA-N 0 3 337.380 0.412 20 5 ECBDHN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1n1ccnc1 ZINC000269692044 263197575 /nfs/dbraw/zinc/19/75/75/263197575.db2.gz ILKISNMCIPXVRX-SNPRPXQTSA-N 0 3 334.380 0.932 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270843455 263278524 /nfs/dbraw/zinc/27/85/24/263278524.db2.gz WDKZPQCAOYVPJU-TXEJJXNPSA-N 0 3 339.396 0.948 20 5 ECBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272570936 263352748 /nfs/dbraw/zinc/35/27/48/263352748.db2.gz NAUDPCGDMOWHRY-NWDGAFQWSA-N 0 3 334.376 0.924 20 5 ECBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000286253987 264384388 /nfs/dbraw/zinc/38/43/88/264384388.db2.gz FGFYFFNZBFKLBM-RYUDHWBXSA-N 0 3 337.380 0.952 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN(C)C ZINC000288343800 264522943 /nfs/dbraw/zinc/52/29/43/264522943.db2.gz YVMLTUTYAKWPQV-JTQLQIEISA-N 0 3 338.364 0.998 20 5 ECBDHN CC(C)(C[NH3+])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262735136 277298289 /nfs/dbraw/zinc/29/82/89/277298289.db2.gz GHRUDPSFOBCYPW-UHFFFAOYSA-N 0 3 331.350 0.382 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)n1 ZINC000332668184 297064025 /nfs/dbraw/zinc/06/40/25/297064025.db2.gz QAQXXKGXKPXGPZ-ONGXEEELSA-N 0 3 327.410 0.929 20 5 ECBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000344338960 298007398 /nfs/dbraw/zinc/00/73/98/298007398.db2.gz JKXVNILAYWZEOQ-UHFFFAOYSA-N 0 3 337.380 0.595 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000345021141 298108365 /nfs/dbraw/zinc/10/83/65/298108365.db2.gz UQXMAUYKAJOUMX-MRXNPFEDSA-N 0 3 337.376 0.855 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000364203305 300335278 /nfs/dbraw/zinc/33/52/78/300335278.db2.gz WHXZHBWPHXYNHZ-LBPRGKRZSA-N 0 3 339.396 0.405 20 5 ECBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)Cn3cccn3)C2)nc1 ZINC000072665159 436052735 /nfs/dbraw/zinc/05/27/35/436052735.db2.gz AXSFKCUTNSSZGP-JSGCOSHPSA-N 0 3 332.364 0.734 20 5 ECBDHN O=C1C[C@@]2(CN1)CCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000072833663 436058362 /nfs/dbraw/zinc/05/83/62/436058362.db2.gz FYWQPLYWTBVBOI-WMLDXEAASA-N 0 3 349.387 0.937 20 5 ECBDHN CN1CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000043180203 436327129 /nfs/dbraw/zinc/32/71/29/436327129.db2.gz LQHDKOBJMCBZKP-UHFFFAOYSA-N 0 3 348.407 0.916 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCN(C)C)CC1 ZINC000053305406 436528112 /nfs/dbraw/zinc/52/81/12/436528112.db2.gz KVIFFCJMNDNIDJ-UHFFFAOYSA-N 0 3 336.392 0.923 20 5 ECBDHN C[C@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CN1Cc1ccccc1 ZINC000137532940 436659042 /nfs/dbraw/zinc/65/90/42/436659042.db2.gz FNKRCMODMPUADH-JSGCOSHPSA-N 0 3 344.375 0.966 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000247324438 436792349 /nfs/dbraw/zinc/79/23/49/436792349.db2.gz WLKXVEGLVRZANR-FRRDWIJNSA-N 0 3 328.394 0.359 20 5 ECBDHN COC[C@H](O)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274817392 436877406 /nfs/dbraw/zinc/87/74/06/436877406.db2.gz JCQZCIVSIDATNT-CYBMUJFWSA-N 0 3 349.391 0.991 20 5 ECBDHN NC(=O)c1ccc(SCC(=O)N2CCCNCC2)c([N+](=O)[O-])c1 ZINC000262486577 436936918 /nfs/dbraw/zinc/93/69/18/436936918.db2.gz ZPOZICOAQIPZNS-UHFFFAOYSA-N 0 3 338.389 0.608 20 5 ECBDHN [NH3+][C@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000262830760 436943201 /nfs/dbraw/zinc/94/32/01/436943201.db2.gz ZUOIZAVGOSDSAV-SECBINFHSA-N 0 3 343.361 0.382 20 5 ECBDHN CN1CCN(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000281670525 436988293 /nfs/dbraw/zinc/98/82/93/436988293.db2.gz DGKBLGKQZOZAOB-UHFFFAOYSA-N 0 3 338.412 0.324 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000281753050 436996179 /nfs/dbraw/zinc/99/61/79/436996179.db2.gz WANPHKUYWAYVQV-JTQLQIEISA-N 0 3 338.364 0.998 20 5 ECBDHN CNS(=O)(=O)c1ccc(N2CC[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000264030173 437015417 /nfs/dbraw/zinc/01/54/17/437015417.db2.gz RUEWFQOUGJBIFX-JTQLQIEISA-N 0 3 328.394 0.643 20 5 ECBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)CN1CCN(C)CC1 ZINC000176665303 437152051 /nfs/dbraw/zinc/15/20/51/437152051.db2.gz WBTTXMUQVHPLAN-GFCCVEGCSA-N 0 3 335.408 0.790 20 5 ECBDHN Cn1ccnc1C[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305695890 437161801 /nfs/dbraw/zinc/16/18/01/437161801.db2.gz RWHZIGKHXSBAMQ-DZGCQCFKSA-N 0 3 348.407 0.840 20 5 ECBDHN Cc1c(NC(=O)CCN2CC[C@@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000276510746 437119573 /nfs/dbraw/zinc/11/95/73/437119573.db2.gz ZQZWKQANOFUTJX-HNNXBMFYSA-N 0 3 336.348 0.154 20 5 ECBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000331885293 437174382 /nfs/dbraw/zinc/17/43/82/437174382.db2.gz DLIYRCZJRKNFKR-QWHCGFSZSA-N 0 3 334.376 0.842 20 5 ECBDHN COCCNC(=O)[C@@H]1CC[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267113680 437291924 /nfs/dbraw/zinc/29/19/24/437291924.db2.gz YFTXXUCWQWVPIY-QWHCGFSZSA-N 0 3 339.396 0.654 20 5 ECBDHN CN1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000267120918 437292782 /nfs/dbraw/zinc/29/27/82/437292782.db2.gz NWAOJKSSNOWGNT-UHFFFAOYSA-N 0 3 338.320 0.690 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000268028130 437356791 /nfs/dbraw/zinc/35/67/91/437356791.db2.gz UDGVDASFIUTDCM-BETUJISGSA-N 0 3 339.396 0.797 20 5 ECBDHN CN(C)CCn1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000354132322 437537104 /nfs/dbraw/zinc/53/71/04/437537104.db2.gz RNQRPAAHGFYNCQ-UHFFFAOYSA-N 0 3 333.348 1.370 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)O1 ZINC000360734841 437639619 /nfs/dbraw/zinc/63/96/19/437639619.db2.gz FKAGKFLZGRBTHW-VXGBXAGGSA-N 0 3 339.396 0.948 20 5 ECBDHN CN1CCC[C@]2(CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)C1=O ZINC000370413623 437779169 /nfs/dbraw/zinc/77/91/69/437779169.db2.gz OIXFLMHSUSBOFU-MRXNPFEDSA-N 0 3 334.376 0.701 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3cnccn3)CC2)c1 ZINC000370453724 437786534 /nfs/dbraw/zinc/78/65/34/437786534.db2.gz VTKWMLURELPDPN-AWEZNQCLSA-N 0 3 332.364 0.822 20 5 ECBDHN O=C(NC[C@H]1CNCCO1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000423992652 437874012 /nfs/dbraw/zinc/87/40/12/437874012.db2.gz PEMJFFLFSBNFNY-GFCCVEGCSA-N 0 3 331.332 0.499 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000365682868 437950074 /nfs/dbraw/zinc/95/00/74/437950074.db2.gz WOCORRRPDAMKRU-DZGCQCFKSA-N 0 3 333.348 0.701 20 5 ECBDHN C[C@H](CCN1CCN(C)CC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357452757 437990070 /nfs/dbraw/zinc/99/00/70/437990070.db2.gz ICGOPFLJIMCCMX-LLVKDONJSA-N 0 3 336.396 0.527 20 5 ECBDHN COCCNCCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417187035 438031063 /nfs/dbraw/zinc/03/10/63/438031063.db2.gz UKIPFNOKPAYRAO-UHFFFAOYSA-N 0 3 326.353 0.639 20 5 ECBDHN COCCNCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420434694 438407920 /nfs/dbraw/zinc/40/79/20/438407920.db2.gz KVPHPVZYSKWQFJ-UHFFFAOYSA-N 0 3 331.394 0.726 20 5 ECBDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369825212 438520485 /nfs/dbraw/zinc/52/04/85/438520485.db2.gz GZQLCMGGWXBAAX-PYJNHQTQSA-N 0 3 337.380 0.271 20 5 ECBDHN O=C(NC[C@@H](O)CN1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442558221 438609697 /nfs/dbraw/zinc/60/96/97/438609697.db2.gz ROCJTUGKRLZUAE-CYBMUJFWSA-N 0 3 336.348 0.106 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCN1CCO ZINC000452393347 438660785 /nfs/dbraw/zinc/66/07/85/438660785.db2.gz SJCWQDRMDKNJTH-CQSZACIVSA-N 0 3 337.376 0.937 20 5 ECBDHN COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000453919946 438700694 /nfs/dbraw/zinc/70/06/94/438700694.db2.gz QNCGDTLBDHUZGT-GXFFZTMASA-N 0 3 348.359 0.704 20 5 ECBDHN N[C@H]1C[C@@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000576600186 438789775 /nfs/dbraw/zinc/78/97/75/438789775.db2.gz UMQUJBVMLLTIRP-OLZOCXBDSA-N 0 3 347.375 0.091 20 5 ECBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000561316774 438843771 /nfs/dbraw/zinc/84/37/71/438843771.db2.gz XWGJRNCGLSUTMJ-LLVKDONJSA-N 0 3 336.396 0.328 20 5 ECBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCOC2(CNC2)C1 ZINC000596099585 438923968 /nfs/dbraw/zinc/92/39/68/438923968.db2.gz SMZRMRSRHFJEAU-UHFFFAOYSA-N 0 3 344.327 0.663 20 5 ECBDHN NS(=O)(=O)c1ccc(N2CC[C@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000596139125 438931093 /nfs/dbraw/zinc/93/10/93/438931093.db2.gz BPGCXLFDBNOZNB-LBPRGKRZSA-N 0 3 338.389 0.693 20 5 ECBDHN CN(C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000578803979 438955459 /nfs/dbraw/zinc/95/54/59/438955459.db2.gz FBZZTVJUIFGVTG-HNNXBMFYSA-N 0 3 335.408 0.567 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596462655 438965695 /nfs/dbraw/zinc/96/56/95/438965695.db2.gz NILISSPPGFDUTG-UHFFFAOYSA-N 0 3 337.380 0.150 20 5 ECBDHN CS(=O)(=O)CCCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000579463137 439011253 /nfs/dbraw/zinc/01/12/53/439011253.db2.gz FMBHYZQPRWHGTQ-UHFFFAOYSA-N 0 3 329.378 0.948 20 5 ECBDHN C[S@@](=O)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591749931 439080631 /nfs/dbraw/zinc/08/06/31/439080631.db2.gz PFWCWCKRGSZMSK-ZAMGYDSWSA-N 0 3 338.389 0.679 20 5 ECBDHN CCN(C)C(=O)[C@@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591763457 439082160 /nfs/dbraw/zinc/08/21/60/439082160.db2.gz HNIMSOAYBWIYSN-YPMHNXCESA-N 0 3 325.365 0.791 20 5 ECBDHN CCN1CCN([C@H]2CCN(CCn3c(C)ncc3[N+](=O)[O-])C2)CC1 ZINC000602778484 439133972 /nfs/dbraw/zinc/13/39/72/439133972.db2.gz YMXKLEKOUNPBRI-HNNXBMFYSA-N 0 3 336.440 0.812 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597652387 439150951 /nfs/dbraw/zinc/15/09/51/439150951.db2.gz AOSPYJYZBDEPRL-NSHDSACASA-N 0 3 333.348 0.637 20 5 ECBDHN CCOC(=O)c1cc(S(=O)(=O)NC2CNC2)cc([N+](=O)[O-])c1C ZINC000581369274 439203210 /nfs/dbraw/zinc/20/32/10/439203210.db2.gz PNYUUYXXZYEQOQ-UHFFFAOYSA-N 0 3 343.361 0.330 20 5 ECBDHN CN(C)CCc1cn(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000603189773 439206146 /nfs/dbraw/zinc/20/61/46/439206146.db2.gz MBKIKLJUNUUUCJ-UHFFFAOYSA-N 0 3 332.364 0.953 20 5 ECBDHN O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000597993159 439209298 /nfs/dbraw/zinc/20/92/98/439209298.db2.gz ZSZMIDFDMRTQSO-ZDUSSCGKSA-N 0 3 345.359 0.815 20 5 ECBDHN COCCN(C)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598594130 439283028 /nfs/dbraw/zinc/28/30/28/439283028.db2.gz ZODCRQNOZJXOMH-UHFFFAOYSA-N 0 3 340.384 0.212 20 5 ECBDHN C[C@H](N)[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475948 439236600 /nfs/dbraw/zinc/23/66/00/439236600.db2.gz WZEZDGIDGOAKFU-SMDDNHRTSA-N 0 3 343.405 0.417 20 5 ECBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000598184587 439238764 /nfs/dbraw/zinc/23/87/64/439238764.db2.gz FARSBASRWRBMQU-UHFFFAOYSA-N 0 3 337.380 0.390 20 5 ECBDHN COC(=O)[C@@H]1CNCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000592555988 439253668 /nfs/dbraw/zinc/25/36/68/439253668.db2.gz ZEXREPXNGJFMNF-LBPRGKRZSA-N 0 3 347.331 0.448 20 5 ECBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000568517092 439255027 /nfs/dbraw/zinc/25/50/27/439255027.db2.gz YTAWRIQXPKTPLH-CYBMUJFWSA-N 0 3 342.421 0.475 20 5 ECBDHN CN1C[C@H]2[C@@H](CCN2C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598901626 439323163 /nfs/dbraw/zinc/32/31/63/439323163.db2.gz AWILILAIWNMGCT-FZMZJTMJSA-N 0 3 347.375 0.879 20 5 ECBDHN CN1CC[C@@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C[C@@H]21 ZINC000598632447 439292759 /nfs/dbraw/zinc/29/27/59/439292759.db2.gz CYBDSMWRHHPTJZ-NEPJUHHUSA-N 0 3 334.380 0.362 20 5 ECBDHN CN(C[C@H]1CCCN1C)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598630294 439292859 /nfs/dbraw/zinc/29/28/59/439292859.db2.gz GSKRWQIUUZYYCU-GFCCVEGCSA-N 0 3 336.396 0.752 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000592875454 439295167 /nfs/dbraw/zinc/29/51/67/439295167.db2.gz YVVYILWWPXFVPL-LBPRGKRZSA-N 0 3 334.376 0.716 20 5 ECBDHN CN(C)CCN1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593330919 439367559 /nfs/dbraw/zinc/36/75/59/439367559.db2.gz NRLGMEAGRWPTOD-UHFFFAOYSA-N 0 3 349.391 0.510 20 5 ECBDHN CNC(=O)c1ccc(N2CCN(CCN(C)C)C(=O)C2)c([N+](=O)[O-])c1 ZINC000593486444 439387294 /nfs/dbraw/zinc/38/72/94/439387294.db2.gz XQWWNKQLSOPJJT-UHFFFAOYSA-N 0 3 349.391 0.165 20 5 ECBDHN CN(C)CCN1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1=O ZINC000593485988 439387611 /nfs/dbraw/zinc/38/76/11/439387611.db2.gz FIBXTWKRVBZGSX-UHFFFAOYSA-N 0 3 338.393 0.514 20 5 ECBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1=O ZINC000593486054 439387884 /nfs/dbraw/zinc/38/78/84/439387884.db2.gz IJHDYHBRADRNAS-UHFFFAOYSA-N 0 3 325.344 0.526 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1=O ZINC000593784113 439465884 /nfs/dbraw/zinc/46/58/84/439465884.db2.gz IZAPBNDMJACVIK-UHFFFAOYSA-N 0 3 335.364 0.023 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000571044973 439469662 /nfs/dbraw/zinc/46/96/62/439469662.db2.gz QCWVZDHWSOXFBH-UHFFFAOYSA-N 0 3 347.335 0.140 20 5 ECBDHN CN1CCC[C@@H](N[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000593921155 439495780 /nfs/dbraw/zinc/49/57/80/439495780.db2.gz PWVICHPXKDHBRN-BXUZGUMPSA-N 0 3 332.360 0.911 20 5 ECBDHN CCc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000584302981 439574974 /nfs/dbraw/zinc/57/49/74/439574974.db2.gz UITTWRHONBOWCQ-CHWSQXEVSA-N 0 3 332.360 0.541 20 5 ECBDHN C[C@H](Cn1cncn1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573084299 439627597 /nfs/dbraw/zinc/62/75/97/439627597.db2.gz QDJLPEYUCITDIO-LLVKDONJSA-N 0 3 339.377 0.638 20 5 ECBDHN C[C@@H]1[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000600757207 439699694 /nfs/dbraw/zinc/69/96/94/439699694.db2.gz QPXVVEYWPWAIEX-SCDSUCTJSA-N 0 3 344.389 0.500 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@]2(CO)CCCc3ccccc32)c1 ZINC000374149546 321835045 /nfs/dbraw/zinc/83/50/45/321835045.db2.gz SYPGZCBOZIVKLX-RDJZCZTQSA-N 0 3 346.387 0.966 20 5 ECBDHN CC(C)NC(=O)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566105977 322501816 /nfs/dbraw/zinc/50/18/16/322501816.db2.gz CWRAUQOSRZZSEL-LBPRGKRZSA-N 0 3 325.365 0.839 20 5 ECBDHN C[C@H](CS(C)(=O)=O)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566118230 322503372 /nfs/dbraw/zinc/50/33/72/322503372.db2.gz YKKRVXYKYIYKJB-GHMZBOCLSA-N 0 3 332.378 0.357 20 5 ECBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000577190747 322828167 /nfs/dbraw/zinc/82/81/67/322828167.db2.gz RAKGXCDUBRSZDB-MRXNPFEDSA-N 0 3 349.343 0.510 20 5 ECBDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000579589837 322901328 /nfs/dbraw/zinc/90/13/28/322901328.db2.gz RQXVMBHBOBKRPX-ZOWXZIJZSA-N 0 3 337.380 0.440 20 5 ECBDHN CNC(=O)OC[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286684640 517961383 /nfs/dbraw/zinc/96/13/83/517961383.db2.gz CNWRMEFJBYKCAM-WCQYABFASA-N 0 3 341.368 0.363 20 5 ECBDHN CN(C)C[C@]1(O)CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000619254967 546311681 /nfs/dbraw/zinc/31/16/81/546311681.db2.gz RBVIIBVARCJACN-MRXNPFEDSA-N 0 3 336.392 0.922 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CCO)c2cccs2)c1 ZINC000754381806 579417332 /nfs/dbraw/zinc/41/73/32/579417332.db2.gz LBNMIXKKCOCFMT-RYUDHWBXSA-N 0 3 326.378 0.927 20 5 ECBDHN C[N@H+](CCO)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736801284 578453408 /nfs/dbraw/zinc/45/34/08/578453408.db2.gz HEWNIPCXVRGAKH-UHFFFAOYSA-N 0 3 347.379 0.668 20 5 ECBDHN C[N@@H+](CCO)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736801284 578453409 /nfs/dbraw/zinc/45/34/09/578453409.db2.gz HEWNIPCXVRGAKH-UHFFFAOYSA-N 0 3 347.379 0.668 20 5 ECBDHN C[N@H+](CCO)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736801284 578453410 /nfs/dbraw/zinc/45/34/10/578453410.db2.gz HEWNIPCXVRGAKH-UHFFFAOYSA-N 0 3 347.379 0.668 20 5 ECBDHN C[N@@H+](CCO)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736801284 578453411 /nfs/dbraw/zinc/45/34/11/578453411.db2.gz HEWNIPCXVRGAKH-UHFFFAOYSA-N 0 3 347.379 0.668 20 5 ECBDHN COCC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737006183 578472388 /nfs/dbraw/zinc/47/23/88/578472388.db2.gz WFDLKLAILWVYRO-SNVBAGLBSA-N 0 3 348.367 0.693 20 5 ECBDHN COCC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737006183 578472389 /nfs/dbraw/zinc/47/23/89/578472389.db2.gz WFDLKLAILWVYRO-SNVBAGLBSA-N 0 3 348.367 0.693 20 5 ECBDHN O=C1NC(=O)[C@]2(CCCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000789380301 578853080 /nfs/dbraw/zinc/85/30/80/578853080.db2.gz XONOQVVWEKDBAE-IUODEOHRSA-N 0 3 334.332 0.302 20 5 ECBDHN O=C(NCCO)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578130 579284566 /nfs/dbraw/zinc/28/45/66/579284566.db2.gz DPKMGVGEQWCVFJ-OAHLLOKOSA-N 0 3 337.376 0.449 20 5 ECBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000762817127 579548942 /nfs/dbraw/zinc/54/89/42/579548942.db2.gz CXCWZBCZECQZRN-CQSZACIVSA-N 0 3 338.320 0.608 20 5 ECBDHN CN(C)C[C@@H](O)CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000763322089 579558740 /nfs/dbraw/zinc/55/87/40/579558740.db2.gz JGEDOWHVKFVIDA-JTQLQIEISA-N 0 3 346.409 0.180 20 5 ECBDHN CN(C)CC[C@](C)(O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000842252584 589024311 /nfs/dbraw/zinc/02/43/11/589024311.db2.gz KCFRLNJWQWVKQP-INIZCTEOSA-N 0 3 349.391 0.763 20 5 ECBDHN CO[C@]1(CNCCc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 ZINC000896681907 586266853 /nfs/dbraw/zinc/26/68/53/586266853.db2.gz HPLXZSKOHZDEEV-AWEZNQCLSA-N 0 3 328.390 0.931 20 5 ECBDHN Cn1cc([C@H](O)CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000843092293 589050490 /nfs/dbraw/zinc/05/04/90/589050490.db2.gz NPATVMGCMSEJBL-DZGCQCFKSA-N 0 3 336.348 0.391 20 5 ECBDHN Cc1nc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1[C@H](C)O ZINC000843104751 589050764 /nfs/dbraw/zinc/05/07/64/589050764.db2.gz BCGKQDLLTUMJDP-FZMZJTMJSA-N 0 3 335.364 0.699 20 5 ECBDHN CN1CC[C@@H]2CN(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C[C@@H]21 ZINC000840133437 587152221 /nfs/dbraw/zinc/15/22/21/587152221.db2.gz MGKBGHWUURGABO-YGRLFVJLSA-N 0 3 330.344 0.784 20 5 ECBDHN CNS(=O)(=O)c1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813104247 587248189 /nfs/dbraw/zinc/24/81/89/587248189.db2.gz KTFKWSKVDAHMMO-SNVBAGLBSA-N 0 3 330.362 0.736 20 5 ECBDHN CC(COC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)[N+](=O)[O-] ZINC000813112116 587248385 /nfs/dbraw/zinc/24/83/85/587248385.db2.gz ZZBVEZUTSWZRHW-SECBINFHSA-N 0 3 341.345 0.276 20 5 ECBDHN Cc1ccc(S(=O)(=O)NCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110264 587248640 /nfs/dbraw/zinc/24/86/40/587248640.db2.gz WCIDPLJBUJCMPM-LLVKDONJSA-N 0 3 330.362 0.872 20 5 ECBDHN Cn1cc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@H]2N)cn1 ZINC000818293752 587421305 /nfs/dbraw/zinc/42/13/05/587421305.db2.gz FIPBSXQCVKJOBN-GXTWGEPZSA-N 0 3 330.348 0.477 20 5 ECBDHN Cc1ncc2c(n1)CCC[C@@H]2NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819078322 587467090 /nfs/dbraw/zinc/46/70/90/587467090.db2.gz IVDXKAVMDUCIIC-JSGCOSHPSA-N 0 3 332.364 0.918 20 5 ECBDHN COCc1nc2n(n1)C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000819154184 587470281 /nfs/dbraw/zinc/47/02/81/587470281.db2.gz OUSZDZVMATXTHC-GXTWGEPZSA-N 0 3 347.375 0.971 20 5 ECBDHN CN(C)c1cc(F)c(C(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000828505810 588185199 /nfs/dbraw/zinc/18/51/99/588185199.db2.gz XPEQLODIFKTQRD-OAHLLOKOSA-N 0 3 340.355 0.596 20 5 ECBDHN CC([C@H](OC(=O)Cn1ncn(C)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845876689 589173694 /nfs/dbraw/zinc/17/36/94/589173694.db2.gz NVSGVSRQHGGDMI-RNCFNFMXSA-N 0 3 338.295 0.671 20 5 ECBDHN O=C(CN1CCCC1)N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881917616 590492529 /nfs/dbraw/zinc/49/25/29/590492529.db2.gz ZXQZBJFHGQDQJV-UHFFFAOYSA-N 0 3 337.355 0.873 20 5 ECBDHN COc1ncc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)n1 ZINC001025775912 739944716 /nfs/dbraw/zinc/94/47/16/739944716.db2.gz PZSZVRTVHLPNHS-RGDJUOJXSA-N 0 3 347.375 0.005 20 5 ECBDHN Cc1n[nH]cc1C(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000996860531 742959885 /nfs/dbraw/zinc/95/98/85/742959885.db2.gz SYGCPUVFGVLLLE-UHFFFAOYSA-N 0 3 347.379 0.754 20 5 ECBDHN O=C(NCC1CN(C(=O)c2cccc3c[nH]nc32)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001800446 746732972 /nfs/dbraw/zinc/73/29/72/746732972.db2.gz YGYNGSZKIHDSPH-CHWSQXEVSA-N 0 3 343.343 0.416 20 5 ECBDHN Cc1cc(C(=O)N2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n[nH]1 ZINC001010652261 756353665 /nfs/dbraw/zinc/35/36/65/756353665.db2.gz GLKXVWGUYOOELX-DGCLKSJQSA-N 0 3 347.375 0.448 20 5 ECBDHN Cn1nc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C(F)(F)F ZINC001126938902 756814633 /nfs/dbraw/zinc/81/46/33/756814633.db2.gz MGCNBNFGEMQDQG-RKDXNWHRSA-N 0 3 335.286 0.310 20 5 ECBDHN Cc1c[nH]nc1C(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000996384323 757509000 /nfs/dbraw/zinc/50/90/00/757509000.db2.gz ZESHGJGVIIJFMQ-UHFFFAOYSA-N 0 3 347.379 0.754 20 5 ECBDHN O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1cnon1)[C@@H]1CC1[N+](=O)[O-] ZINC001048524872 760662517 /nfs/dbraw/zinc/66/25/17/760662517.db2.gz CPUSXYLGWDNATK-RHZHCTOVSA-N 0 3 335.364 0.594 20 5 ECBDHN Cc1cc(C)n(CCN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001017544623 768098974 /nfs/dbraw/zinc/09/89/74/768098974.db2.gz WGCGQJCIPOADHH-QKPAOTATSA-N 0 3 347.419 0.840 20 5 ECBDHN Cn1c(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nnc1C1CC1 ZINC001020139109 772205662 /nfs/dbraw/zinc/20/56/62/772205662.db2.gz QZFZQHOJAMAHJV-DDHJBXDOSA-N 0 3 334.380 0.095 20 5 ECBDHN Cn1ccc(CN2CCC3(CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)n1 ZINC001040700105 783296312 /nfs/dbraw/zinc/29/63/12/783296312.db2.gz IBLIVXRCVBNMTP-HUUCEWRRSA-N 0 3 347.419 0.900 20 5 ECBDHN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCc1c[nH]cn1 ZINC001067391915 793081213 /nfs/dbraw/zinc/08/12/13/793081213.db2.gz OAZGZECGYYHZDV-CHWSQXEVSA-N 0 3 337.380 0.314 20 5 ECBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(=O)n(C)n1 ZINC001267034552 836655596 /nfs/dbraw/zinc/65/55/96/836655596.db2.gz IYPCCJQFKAYRAS-UHFFFAOYSA-N 0 3 345.359 0.550 20 5 ECBDHN NC(=O)CC(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCCC1 ZINC001268031548 839061231 /nfs/dbraw/zinc/06/12/31/839061231.db2.gz GMICUDAFPXOOHC-UHFFFAOYSA-N 0 3 334.376 0.989 20 5 ECBDHN COc1c(F)cc(S(=O)(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000193232596 240070925 /nfs/dbraw/zinc/07/09/25/240070925.db2.gz YLRAGNJZBNATRU-UHFFFAOYSA-N 0 3 333.341 0.727 20 5 ECBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000193572798 240219449 /nfs/dbraw/zinc/21/94/49/240219449.db2.gz NHSQHWKLQDTDHW-LBPRGKRZSA-N 0 3 335.408 0.912 20 5 ECBDHN C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N(C)Cc1ccccc1 ZINC000110350346 220030940 /nfs/dbraw/zinc/03/09/40/220030940.db2.gz SYZTUZOUIZLBRM-GFCCVEGCSA-N 0 3 332.364 0.823 20 5 ECBDHN COCCN1CC[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000266320193 248245716 /nfs/dbraw/zinc/24/57/16/248245716.db2.gz HYTLEESAIPHQPY-CYBMUJFWSA-N 0 3 336.392 0.868 20 5 ECBDHN COCCOC[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557189 211329049 /nfs/dbraw/zinc/32/90/49/211329049.db2.gz BMUGWWFLPCNKSD-OCCSQVGLSA-N 0 3 340.380 0.500 20 5 ECBDHN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000440412610 210829181 /nfs/dbraw/zinc/82/91/81/210829181.db2.gz GAZMPKAPQBPJJN-VIFPVBQESA-N 0 3 345.377 0.628 20 5 ECBDHN COC(=O)[C@]1(C)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412073420 208199362 /nfs/dbraw/zinc/19/93/62/208199362.db2.gz QEUAKQCIIDBPIG-GXTWGEPZSA-N 0 3 326.353 0.427 20 5 ECBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@](C)(O)CN(C)C)c1F ZINC000412211375 208213175 /nfs/dbraw/zinc/21/31/75/208213175.db2.gz TXWOYIXHJXIRIJ-OAHLLOKOSA-N 0 3 343.355 0.714 20 5 ECBDHN COC[C@@]1(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261629997 285325120 /nfs/dbraw/zinc/32/51/20/285325120.db2.gz CYJSZWRYALYEPF-AWEZNQCLSA-N 0 3 343.405 0.950 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1N1CCCC1 ZINC000331639166 296950651 /nfs/dbraw/zinc/95/06/51/296950651.db2.gz UICNUDVSMHSOTP-GHMZBOCLSA-N 0 3 325.394 0.970 20 5 ECBDHN O=C(CN1CCCC1)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174845957 263151494 /nfs/dbraw/zinc/15/14/94/263151494.db2.gz UBDAQKJFBDVGDI-UHFFFAOYSA-N 0 3 336.396 0.031 20 5 ECBDHN COCCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000194942500 263169875 /nfs/dbraw/zinc/16/98/75/263169875.db2.gz HFDIYSARIHZZDY-UHFFFAOYSA-N 0 3 325.369 0.327 20 5 ECBDHN CCc1n[nH]c(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000267066069 263180185 /nfs/dbraw/zinc/18/01/85/263180185.db2.gz ANKMLVYJECHALV-NSHDSACASA-N 0 3 338.412 0.494 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)CCO ZINC000269604799 263191555 /nfs/dbraw/zinc/19/15/55/263191555.db2.gz QIMDXXJTDBZNCF-UHFFFAOYSA-N 0 3 327.337 0.219 20 5 ECBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1COC[C@H]1O ZINC000286079306 264367363 /nfs/dbraw/zinc/36/73/63/264367363.db2.gz SEUPSUBOGXJZPI-CHWSQXEVSA-N 0 3 327.312 0.754 20 5 ECBDHN Cc1nc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ncc1[N+](=O)[O-] ZINC000297398183 265145279 /nfs/dbraw/zinc/14/52/79/265145279.db2.gz FOIOWXPHDYAVMU-LBPRGKRZSA-N 0 3 334.380 0.436 20 5 ECBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1CC(C)(C)O ZINC000189925873 437613113 /nfs/dbraw/zinc/61/31/13/437613113.db2.gz RIUXBYHYTFAWNV-ZDUSSCGKSA-N 0 3 338.408 0.534 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)n1 ZINC000332668181 297064051 /nfs/dbraw/zinc/06/40/51/297064051.db2.gz QAQXXKGXKPXGPZ-KOLCDFICSA-N 0 3 327.410 0.929 20 5 ECBDHN Nc1c(C(=O)NCC2CCN(CCO)CC2)cc(F)cc1[N+](=O)[O-] ZINC000340553011 297511059 /nfs/dbraw/zinc/51/10/59/297511059.db2.gz IEDFCQVWOKLTNR-UHFFFAOYSA-N 0 3 340.355 0.750 20 5 ECBDHN CC(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)NCCN(C)C ZINC000354494993 299056951 /nfs/dbraw/zinc/05/69/51/299056951.db2.gz GKCBLAZYTNHVOW-SNVBAGLBSA-N 0 3 340.384 0.140 20 5 ECBDHN CNC(=O)C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000361641688 300112566 /nfs/dbraw/zinc/11/25/66/300112566.db2.gz CZWRZATUFDFOEB-LSDHHAIUSA-N 0 3 347.375 0.619 20 5 ECBDHN CN1CCC[C@H](N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000363639011 300282526 /nfs/dbraw/zinc/28/25/26/300282526.db2.gz VBFVGSARVDRAHC-ZDUSSCGKSA-N 0 3 336.396 0.030 20 5 ECBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000377593346 301363098 /nfs/dbraw/zinc/36/30/98/301363098.db2.gz NNLILDLRTKTGSD-WDEREUQCSA-N 0 3 337.380 0.863 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000493477798 301537824 /nfs/dbraw/zinc/53/78/24/301537824.db2.gz BGTHSDJMSLUFSU-YLGNMVSYSA-N 0 3 348.334 0.518 20 5 ECBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000083245358 436369793 /nfs/dbraw/zinc/36/97/93/436369793.db2.gz HLCWTLFMQMYPOP-OAHLLOKOSA-N 0 3 339.392 0.599 20 5 ECBDHN COCCOC[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550971 436432704 /nfs/dbraw/zinc/43/27/04/436432704.db2.gz BAOOJKNRBBRBPO-ZDUSSCGKSA-N 0 3 325.365 0.741 20 5 ECBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(S(N)(=O)=O)c1 ZINC000272868245 436722984 /nfs/dbraw/zinc/72/29/84/436722984.db2.gz SBKSHKZFCVPYQA-JTQLQIEISA-N 0 3 339.377 0.790 20 5 ECBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000155340062 436793664 /nfs/dbraw/zinc/79/36/64/436793664.db2.gz ZTABIHRYPJXRDI-ZDUSSCGKSA-N 0 3 332.364 0.475 20 5 ECBDHN CN1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000162534030 436907231 /nfs/dbraw/zinc/90/72/31/436907231.db2.gz JEBZYRDJAWEXOP-OAHLLOKOSA-N 0 3 335.408 0.888 20 5 ECBDHN COCCCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000171122985 436968624 /nfs/dbraw/zinc/96/86/24/436968624.db2.gz FZWPIRSXSSFGLS-UHFFFAOYSA-N 0 3 339.396 0.717 20 5 ECBDHN CNS(=O)(=O)c1ccc(NCCN(C)CCOC)c([N+](=O)[O-])c1 ZINC000263793109 436987609 /nfs/dbraw/zinc/98/76/09/436987609.db2.gz OAQBZBQZDXOALE-UHFFFAOYSA-N 0 3 346.409 0.493 20 5 ECBDHN CCN1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000264664439 437060563 /nfs/dbraw/zinc/06/05/63/437060563.db2.gz RVKBJAOCBVAZGB-UHFFFAOYSA-N 0 3 328.394 0.774 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1C ZINC000321505761 437213361 /nfs/dbraw/zinc/21/33/61/437213361.db2.gz ZXXFZXVWZGNVMJ-GFCCVEGCSA-N 0 3 342.421 0.475 20 5 ECBDHN CSCC[C@@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000322916192 437220132 /nfs/dbraw/zinc/22/01/32/437220132.db2.gz GWFYXXBDEMPCQZ-GFCCVEGCSA-N 0 3 339.421 0.719 20 5 ECBDHN O=C1C[C@]2(CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278858125 437350394 /nfs/dbraw/zinc/35/03/94/437350394.db2.gz KYUYBUJNUOAWDR-XJKSGUPXSA-N 0 3 335.360 0.547 20 5 ECBDHN O=C1NC(=O)[C@]2(CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279129816 437377352 /nfs/dbraw/zinc/37/73/52/437377352.db2.gz VWKKOFMTDLVTHK-OAHLLOKOSA-N 0 3 334.332 0.648 20 5 ECBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268170324 437378045 /nfs/dbraw/zinc/37/80/45/437378045.db2.gz JVWBJISDVPWBJZ-IAQYHMDHSA-N 0 3 346.387 0.924 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[N@H+](CC)C2)c([N+](=O)[O-])n1 ZINC000330459419 437516834 /nfs/dbraw/zinc/51/68/34/437516834.db2.gz UDCAPLDNQWKFRZ-NSHDSACASA-N 0 3 345.425 0.821 20 5 ECBDHN CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[N@@H+](CC)C2)c([N+](=O)[O-])n1 ZINC000330459419 437516839 /nfs/dbraw/zinc/51/68/39/437516839.db2.gz UDCAPLDNQWKFRZ-NSHDSACASA-N 0 3 345.425 0.821 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2c(c1)CNCCO2 ZINC000291035513 437552770 /nfs/dbraw/zinc/55/27/70/437552770.db2.gz HMMYREYASYPBQI-UHFFFAOYSA-N 0 3 344.327 0.877 20 5 ECBDHN COc1cnccc1N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000360259522 437568223 /nfs/dbraw/zinc/56/82/23/437568223.db2.gz WXUSEYYFUXQMLD-UHFFFAOYSA-N 0 3 331.336 0.697 20 5 ECBDHN CN(C)[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1O ZINC000292462120 437693225 /nfs/dbraw/zinc/69/32/25/437693225.db2.gz XXXOGXBTLPLZPW-UWVGGRQHSA-N 0 3 331.170 0.863 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCN(C)C(C)(C)C2)n1 ZINC000331292323 437734718 /nfs/dbraw/zinc/73/47/18/437734718.db2.gz WWVJOMAKKMHPLM-UHFFFAOYSA-N 0 3 338.412 0.567 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000358057183 438134397 /nfs/dbraw/zinc/13/43/97/438134397.db2.gz OTSTYJGOADAPJV-MRXNPFEDSA-N 0 3 345.359 0.577 20 5 ECBDHN CN(C)CCNc1c(I)cncc1[N+](=O)[O-] ZINC000418814831 438198092 /nfs/dbraw/zinc/19/80/92/438198092.db2.gz VXZQRKRDZWSAIU-UHFFFAOYSA-N 0 3 336.133 0.990 20 5 ECBDHN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1cccnc1 ZINC000376740129 438291052 /nfs/dbraw/zinc/29/10/52/438291052.db2.gz QOHOLNNBTDEQGN-AAEUAGOBSA-N 0 3 329.364 0.889 20 5 ECBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000434665017 438313197 /nfs/dbraw/zinc/31/31/97/438313197.db2.gz MLYMTTRRZSJCQC-NWDGAFQWSA-N 0 3 349.391 0.603 20 5 ECBDHN CC1CCN(C[C@H](O)CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000359027273 438347215 /nfs/dbraw/zinc/34/72/15/438347215.db2.gz GQSORYYMVPWTCW-GFCCVEGCSA-N 0 3 337.380 0.626 20 5 ECBDHN COc1ccc(OCCN2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000368639157 438357368 /nfs/dbraw/zinc/35/73/68/438357368.db2.gz SJXFVPUQESQMCF-NWDGAFQWSA-N 0 3 349.343 0.577 20 5 ECBDHN CCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000388369872 438424780 /nfs/dbraw/zinc/42/47/80/438424780.db2.gz PHEFUAYPWCGWQW-VIFPVBQESA-N 0 3 334.170 0.832 20 5 ECBDHN COC(=O)COc1ccc(CNC[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000353738759 438528423 /nfs/dbraw/zinc/52/84/23/438528423.db2.gz NRMMCAOFCCRCIT-GFCCVEGCSA-N 0 3 340.332 0.652 20 5 ECBDHN O=C([C@H]1CN2CCN1CCC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000408376175 438564229 /nfs/dbraw/zinc/56/42/29/438564229.db2.gz VWHBOWBYUQWBJE-CQSZACIVSA-N 0 3 348.407 0.345 20 5 ECBDHN C[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000422984473 438625056 /nfs/dbraw/zinc/62/50/56/438625056.db2.gz XWIOLUVIZBGZJE-VXGBXAGGSA-N 0 3 342.421 0.603 20 5 ECBDHN C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000548713090 438731727 /nfs/dbraw/zinc/73/17/27/438731727.db2.gz WIGLLIHVKYQYPF-NSHDSACASA-N 0 3 336.396 0.185 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456160050 438760286 /nfs/dbraw/zinc/76/02/86/438760286.db2.gz GGNVDJDUAOWULA-OSAQELSMSA-N 0 3 346.387 0.876 20 5 ECBDHN CCN(C)C(=O)[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578127827 438899630 /nfs/dbraw/zinc/89/96/30/438899630.db2.gz RCVIQCSQCSUIJF-NWDGAFQWSA-N 0 3 325.365 0.791 20 5 ECBDHN COc1ccc(NC(=O)C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590279223 438905362 /nfs/dbraw/zinc/90/53/62/438905362.db2.gz ANJXTRRGJPZLPF-GXFFZTMASA-N 0 3 348.359 0.704 20 5 ECBDHN CN1C[C@H]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590447557 438925938 /nfs/dbraw/zinc/92/59/38/438925938.db2.gz YUZOVHOGOBOMBH-UKRRQHHQSA-N 0 3 346.387 0.877 20 5 ECBDHN CS(=O)(=O)CCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000517556859 438967495 /nfs/dbraw/zinc/96/74/95/438967495.db2.gz RAXQXRXHFCLXRP-GFCCVEGCSA-N 0 3 332.378 0.359 20 5 ECBDHN CN1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000565656330 438968591 /nfs/dbraw/zinc/96/85/91/438968591.db2.gz LCPAIAQOXGWYPY-AWEZNQCLSA-N 0 3 347.419 0.910 20 5 ECBDHN O=C1C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000565887408 438986244 /nfs/dbraw/zinc/98/62/44/438986244.db2.gz OMFXJQHBHAVHRE-AAEUAGOBSA-N 0 3 335.360 0.687 20 5 ECBDHN COC(=O)[C@H]1CN(C)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000591189340 438988525 /nfs/dbraw/zinc/98/85/25/438988525.db2.gz JNCVMAHRXNFRSK-NSHDSACASA-N 0 3 338.364 0.210 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])CCN2C1=O ZINC000566020631 438999059 /nfs/dbraw/zinc/99/90/59/438999059.db2.gz YLTYWGBJLNMGRC-ZWNOBZJWSA-N 0 3 327.344 0.891 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)CN1CCN(C)CC1 ZINC000591727536 439078290 /nfs/dbraw/zinc/07/82/90/439078290.db2.gz HGBQWTZOTCSRTE-OAHLLOKOSA-N 0 3 338.408 0.301 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000597652712 439149604 /nfs/dbraw/zinc/14/96/04/439149604.db2.gz FMZDBIBPORVUCH-LBPRGKRZSA-N 0 3 333.348 0.433 20 5 ECBDHN COC(=O)c1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc([N+](=O)[O-])c1 ZINC000592338549 439207870 /nfs/dbraw/zinc/20/78/70/439207870.db2.gz XSBIYKPNNDCWHV-QWRGUYRKSA-N 0 3 325.296 0.811 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000581437723 439212589 /nfs/dbraw/zinc/21/25/89/439212589.db2.gz VCDJTQGRHYNPEK-STQMWFEESA-N 0 3 338.364 0.149 20 5 ECBDHN O=C1CCCN1[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000525784092 439216602 /nfs/dbraw/zinc/21/66/02/439216602.db2.gz ZEEXBQRKNGLGSG-OCCSQVGLSA-N 0 3 337.380 0.239 20 5 ECBDHN CS(=O)(=O)C1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCNCC1 ZINC000592483847 439238409 /nfs/dbraw/zinc/23/84/09/439238409.db2.gz DYBGSUZENAWDDC-UHFFFAOYSA-N 0 3 341.389 0.378 20 5 ECBDHN CN(C)CCN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1=O ZINC000593050822 439335098 /nfs/dbraw/zinc/33/50/98/439335098.db2.gz JHWXTAAAQPENAM-UHFFFAOYSA-N 0 3 346.391 0.677 20 5 ECBDHN N[C@H]1C[C@@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CCN2C1=O ZINC000568883589 439288278 /nfs/dbraw/zinc/28/82/78/439288278.db2.gz NEHMNZIEGCXLHE-SFYZADRCSA-N 0 3 345.281 0.757 20 5 ECBDHN COc1ccc(OC)c(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000582480314 439339259 /nfs/dbraw/zinc/33/92/59/439339259.db2.gz YTXCPCGZPKGBEC-CYBMUJFWSA-N 0 3 336.348 0.959 20 5 ECBDHN COCCN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC000593100884 439341253 /nfs/dbraw/zinc/34/12/53/439341253.db2.gz LFRFUEJZEHCRIT-UHFFFAOYSA-N 0 3 338.408 0.799 20 5 ECBDHN COc1cc(C(=O)N2CCN(C)C[C@@H]2CN)cc([N+](=O)[O-])c1OC ZINC000569602677 439347116 /nfs/dbraw/zinc/34/71/16/439347116.db2.gz JMQAPQMGFSKBTK-NSHDSACASA-N 0 3 338.364 0.327 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C[NH3+])CCOCC2)cc1C ZINC000599102268 439357351 /nfs/dbraw/zinc/35/73/51/439357351.db2.gz JBMGCSUESRAROY-UHFFFAOYSA-N 0 3 343.405 0.998 20 5 ECBDHN CC(C)N1CC[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000569715970 439357903 /nfs/dbraw/zinc/35/79/03/439357903.db2.gz XCYKOTWKOJSMIS-STQMWFEESA-N 0 3 337.376 0.933 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)n1 ZINC000599260771 439404087 /nfs/dbraw/zinc/40/40/87/439404087.db2.gz FFLUZIRKAOFPTJ-GHMZBOCLSA-N 0 3 343.409 0.433 20 5 ECBDHN CN1CCC[C@@H](N[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000593921157 439496845 /nfs/dbraw/zinc/49/68/45/439496845.db2.gz PWVICHPXKDHBRN-RISCZKNCSA-N 0 3 332.360 0.911 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594198956 439526599 /nfs/dbraw/zinc/52/65/99/439526599.db2.gz WMEULGDLIZIONK-ZIAGYGMSSA-N 0 3 334.376 0.890 20 5 ECBDHN COC(=O)C1C[C@H](C)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000599688667 439536500 /nfs/dbraw/zinc/53/65/00/439536500.db2.gz LIKNIWLONFCOMD-MJVIPROJSA-N 0 3 340.380 0.814 20 5 ECBDHN CN1CCC[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000609257747 439556240 /nfs/dbraw/zinc/55/62/40/439556240.db2.gz KZRHTMNWBZIKNT-JTQLQIEISA-N 0 3 346.343 0.401 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCNC2(CCCCC2)C1 ZINC000594629036 439583743 /nfs/dbraw/zinc/58/37/43/439583743.db2.gz XGPWCAXLLUQVSQ-UHFFFAOYSA-N 0 3 334.376 0.891 20 5 ECBDHN N[C@@H]1C[C@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])CCN2C1=O ZINC000594702797 439593489 /nfs/dbraw/zinc/59/34/89/439593489.db2.gz ZVIIOAJUZJTIFO-CMPLNLGQSA-N 0 3 327.344 0.891 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCc3ccc(O)cc3CC2)c1 ZINC000610390307 439613165 /nfs/dbraw/zinc/61/31/65/439613165.db2.gz JFSQXZDMIMJTFW-MRXNPFEDSA-N 0 3 332.360 0.959 20 5 ECBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594878125 439637117 /nfs/dbraw/zinc/63/71/17/439637117.db2.gz OFOZMRLDFNQHKF-CHWSQXEVSA-N 0 3 346.387 0.904 20 5 ECBDHN Nc1cc(N2CCN([C@@H]3CCC[C@H]3O)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587862283 439669594 /nfs/dbraw/zinc/66/95/94/439669594.db2.gz VGSWCTPXLQOQIS-HUUCEWRRSA-N 0 3 336.392 0.705 20 5 ECBDHN CC1(C)C(=O)N[C@@H]1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000572982063 439622515 /nfs/dbraw/zinc/62/25/15/439622515.db2.gz JUUVCTLLWIKNNA-OAHLLOKOSA-N 0 3 348.403 0.993 20 5 ECBDHN CCN(CCN)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000600795720 439702535 /nfs/dbraw/zinc/70/25/35/439702535.db2.gz CGXKRGQGQVQGDD-UHFFFAOYSA-N 0 3 349.391 0.051 20 5 ECBDHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000595264396 439685526 /nfs/dbraw/zinc/68/55/26/439685526.db2.gz XGAQMDCBMAJOBE-ZLKJLUDKSA-N 0 3 347.375 0.609 20 5 ECBDHN CN(C)C[C@]1(O)CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000618923307 440178998 /nfs/dbraw/zinc/17/89/98/440178998.db2.gz DTGKHQHABHERRK-MRXNPFEDSA-N 0 3 337.376 0.889 20 5 ECBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)N(C)C ZINC000344654252 321159059 /nfs/dbraw/zinc/15/90/59/321159059.db2.gz LLFMPQXYVMKIAQ-GXSJLCMTSA-N 0 3 326.401 0.894 20 5 ECBDHN CC(C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000345557303 321193653 /nfs/dbraw/zinc/19/36/53/321193653.db2.gz GRRXJBLCDSIOCJ-ZJUUUORDSA-N 0 3 342.377 0.436 20 5 ECBDHN N[C@@H](CC(F)F)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345834550 321202464 /nfs/dbraw/zinc/20/24/64/321202464.db2.gz ZRUQPRSTRRWJRP-WPRPVWTQSA-N 0 3 329.307 0.985 20 5 ECBDHN N[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccc(F)cc1 ZINC000368422758 321727469 /nfs/dbraw/zinc/72/74/69/321727469.db2.gz RWSOEHOBHHTHSP-KGLIPLIRSA-N 0 3 333.323 0.884 20 5 ECBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000545304950 322108719 /nfs/dbraw/zinc/10/87/19/322108719.db2.gz MYGNUFQDYSCRDR-UHFFFAOYSA-N 0 3 339.348 0.410 20 5 ECBDHN CC(=O)Nc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000564845401 322398902 /nfs/dbraw/zinc/39/89/02/322398902.db2.gz XLEOVTGCBBZNTH-HNNXBMFYSA-N 0 3 333.348 0.900 20 5 ECBDHN O=C(CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCc2ccccc21 ZINC000577503211 322837240 /nfs/dbraw/zinc/83/72/40/322837240.db2.gz MTMVYIWXAPXAIF-AWEZNQCLSA-N 0 3 345.359 0.331 20 5 ECBDHN O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2nnn[n-]2)c1 ZINC000738373502 579625011 /nfs/dbraw/zinc/62/50/11/579625011.db2.gz DWCXUFACBKJVSU-MWLCHTKSSA-N 0 3 346.351 0.445 20 5 ECBDHN O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2nnn[n-]2)c1 ZINC000738373502 579625012 /nfs/dbraw/zinc/62/50/12/579625012.db2.gz DWCXUFACBKJVSU-MWLCHTKSSA-N 0 3 346.351 0.445 20 5 ECBDHN COc1ccc([C@@H](O)CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000743259677 579796116 /nfs/dbraw/zinc/79/61/16/579796116.db2.gz JUKOYLCUBHSMJX-ZFWWWQNUSA-N 0 3 336.348 0.484 20 5 ECBDHN Cn1cc([C@@H](O)CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000843092296 589050466 /nfs/dbraw/zinc/05/04/66/589050466.db2.gz NPATVMGCMSEJBL-HIFRSBDPSA-N 0 3 336.348 0.391 20 5 ECBDHN O=C(CCN1CC[C@H](CO)[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000808750491 587160867 /nfs/dbraw/zinc/16/08/67/587160867.db2.gz KQMSCKWUNKBFNQ-QMTHXVAHSA-N 0 3 341.339 0.738 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000844034230 589089843 /nfs/dbraw/zinc/08/98/43/589089843.db2.gz LCDARAGKDSTYFA-SNVBAGLBSA-N 0 3 335.364 0.369 20 5 ECBDHN CC(COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1)[N+](=O)[O-] ZINC000813108837 587248340 /nfs/dbraw/zinc/24/83/40/587248340.db2.gz MAVSIAVECDTNNC-UPJWGTAASA-N 0 3 326.349 0.636 20 5 ECBDHN CC(COC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)[N+](=O)[O-] ZINC000813109018 587248477 /nfs/dbraw/zinc/24/84/77/587248477.db2.gz DKDHKRWGGGNIGM-VIFPVBQESA-N 0 3 328.346 0.949 20 5 ECBDHN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C2=O)cc1 ZINC000813114968 587248887 /nfs/dbraw/zinc/24/88/87/587248887.db2.gz YUSLSVAHZGFEFG-MEDUHNTESA-N 0 3 349.343 0.970 20 5 ECBDHN COc1cccc(C[C@H](C(=O)OCC(C)[N+](=O)[O-])n2nnnc2C)c1 ZINC000813113893 587248961 /nfs/dbraw/zinc/24/89/61/587248961.db2.gz VXIHSPTUCHPFGK-QMTHXVAHSA-N 0 3 349.347 0.982 20 5 ECBDHN CN1C[C@H]2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000816952329 587329848 /nfs/dbraw/zinc/32/98/48/587329848.db2.gz IDCWGUTZZFDTMQ-OCCSQVGLSA-N 0 3 333.344 0.949 20 5 ECBDHN CC[C@H](CNS(C)(=O)=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819343610 587476967 /nfs/dbraw/zinc/47/69/67/587476967.db2.gz OEKHRWJKWOCZIL-DGCLKSJQSA-N 0 3 331.394 0.546 20 5 ECBDHN CC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821164293 587576279 /nfs/dbraw/zinc/57/62/79/587576279.db2.gz AOYNXZZQWNKKBQ-SNVBAGLBSA-N 0 3 332.368 0.948 20 5 ECBDHN CC[N@@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821164293 587576281 /nfs/dbraw/zinc/57/62/81/587576281.db2.gz AOYNXZZQWNKKBQ-SNVBAGLBSA-N 0 3 332.368 0.948 20 5 ECBDHN CC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821164293 587576283 /nfs/dbraw/zinc/57/62/83/587576283.db2.gz AOYNXZZQWNKKBQ-SNVBAGLBSA-N 0 3 332.368 0.948 20 5 ECBDHN CC[N@@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821164293 587576285 /nfs/dbraw/zinc/57/62/85/587576285.db2.gz AOYNXZZQWNKKBQ-SNVBAGLBSA-N 0 3 332.368 0.948 20 5 ECBDHN O=C(CCN1CCC(CO)(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852629222 589503743 /nfs/dbraw/zinc/50/37/43/589503743.db2.gz GSVVEBJLFOCQST-UHFFFAOYSA-N 0 3 341.339 0.739 20 5 ECBDHN Cc1c(C(=O)N2CCOC3(CNC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000853244971 589539057 /nfs/dbraw/zinc/53/90/57/589539057.db2.gz GRZWWAVGTIYBTF-UHFFFAOYSA-N 0 3 336.304 0.626 20 5 ECBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000867811068 589846972 /nfs/dbraw/zinc/84/69/72/589846972.db2.gz NLIPJQICVYOOFZ-GHMZBOCLSA-N 0 3 326.378 0.705 20 5 ECBDHN CNc1c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000861714158 589878313 /nfs/dbraw/zinc/87/83/13/589878313.db2.gz IOWANYUGDOTNRV-NWDGAFQWSA-N 0 3 334.376 0.918 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886043806 590788666 /nfs/dbraw/zinc/78/86/66/590788666.db2.gz KKKSBZZALNBMAU-CQSZACIVSA-N 0 3 333.392 0.728 20 5 ECBDHN Cc1cc(S(=O)(=O)NC[C@@H]2CNCCO2)cc([N+](=O)[O-])c1F ZINC000842483359 611313377 /nfs/dbraw/zinc/31/33/77/611313377.db2.gz KDIDMRPUEGHMBV-VIFPVBQESA-N 0 3 333.341 0.309 20 5 ECBDHN O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)N2CCNCC2)cc1 ZINC000923632601 611332823 /nfs/dbraw/zinc/33/28/23/611332823.db2.gz OFIYBGUKQBOQMW-UHFFFAOYSA-N 0 3 340.405 0.709 20 5 ECBDHN CS[C@H]1CN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000935113881 611843803 /nfs/dbraw/zinc/84/38/03/611843803.db2.gz QUDVYJFKIZMWQV-MNOVXSKESA-N 0 3 327.410 0.604 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)Cc1cscn1 ZINC001167722700 740302914 /nfs/dbraw/zinc/30/29/14/740302914.db2.gz GQKUDAKRLOTCTR-UHFFFAOYSA-N 0 3 338.393 0.623 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000997570100 743683421 /nfs/dbraw/zinc/68/34/21/743683421.db2.gz FZIUAKJRSRNNLI-UHFFFAOYSA-N 0 3 347.379 0.693 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC000985167681 747497646 /nfs/dbraw/zinc/49/76/46/747497646.db2.gz OSMTXKBNWIQSDW-HAQNSBGRSA-N 0 3 347.379 0.209 20 5 ECBDHN Cc1nc[nH]c1C(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC000985180027 747523157 /nfs/dbraw/zinc/52/31/57/747523157.db2.gz PWHGJBYBJRXMPQ-XYPYZODXSA-N 0 3 347.379 0.658 20 5 ECBDHN O=C(N[C@H]1C[C@@H](NCc2cn(CC3CC3)nn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063696 758225790 /nfs/dbraw/zinc/22/57/90/758225790.db2.gz HSPCRDYNSKKLKV-ZMJPVWNMSA-N 0 3 334.380 0.090 20 5 ECBDHN O=C(NC1(C2CCN(C(=O)c3ccn[nH]3)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001017159507 767665169 /nfs/dbraw/zinc/66/51/69/767665169.db2.gz LUHKGPYUFFWAJY-DGCLKSJQSA-N 0 3 347.375 0.576 20 5 ECBDHN CCCN(C)CC(=O)N(CC)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001106809119 769077618 /nfs/dbraw/zinc/07/76/18/769077618.db2.gz AKHCLYUAUAWRCZ-UHFFFAOYSA-N 0 3 339.400 0.569 20 5 ECBDHN CC1(C(=O)NCCN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001055588873 769191278 /nfs/dbraw/zinc/19/12/78/769191278.db2.gz WONWAORAORVQDV-CHWSQXEVSA-N 0 3 338.408 0.149 20 5 ECBDHN COc1nccc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1 ZINC001072721034 788648159 /nfs/dbraw/zinc/64/81/59/788648159.db2.gz ABHUZZPELQKPDY-CHWSQXEVSA-N 0 3 347.375 0.185 20 5 ECBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@H]2CCCOC2)c1 ZINC000178006045 232056419 /nfs/dbraw/zinc/05/64/19/232056419.db2.gz GIIPNWZARXHVPF-NSHDSACASA-N 0 3 329.378 0.642 20 5 ECBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000184081214 235301941 /nfs/dbraw/zinc/30/19/41/235301941.db2.gz KULXDQYXYGADHL-LBPRGKRZSA-N 0 3 335.408 0.933 20 5 ECBDHN NC[C@@H]1CCCCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418921821 283455457 /nfs/dbraw/zinc/45/54/57/283455457.db2.gz JYRXOKRUZOMEOQ-AWEZNQCLSA-N 0 3 334.376 0.593 20 5 ECBDHN Cc1nc(N2CCN(C(=O)CN3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000450319104 211319342 /nfs/dbraw/zinc/31/93/42/211319342.db2.gz XTMZIWHZWLJTTR-UHFFFAOYSA-N 0 3 334.380 0.438 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446900723 211162403 /nfs/dbraw/zinc/16/24/03/211162403.db2.gz QUEHLRIVUIYCNV-HNNXBMFYSA-N 0 3 348.363 0.337 20 5 ECBDHN CO[C@@H](C)[C@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268801259 252255866 /nfs/dbraw/zinc/25/58/66/252255866.db2.gz GGBVXPFMAHKNKO-QWRGUYRKSA-N 0 3 331.394 0.886 20 5 ECBDHN CN(C)C(=O)[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411956203 208179655 /nfs/dbraw/zinc/17/96/55/208179655.db2.gz RCKLCJPIZQFQLG-CHWSQXEVSA-N 0 3 337.376 0.745 20 5 ECBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)NCCN1CCCCC1 ZINC000412322176 208222780 /nfs/dbraw/zinc/22/27/80/208222780.db2.gz PEAPTJSYPBEZJO-SNVBAGLBSA-N 0 3 338.368 0.038 20 5 ECBDHN CCN1CC[C@@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000414006563 208385697 /nfs/dbraw/zinc/38/56/97/208385697.db2.gz QIORJXTUOVZSOH-WCQYABFASA-N 0 3 334.376 0.924 20 5 ECBDHN CN1CCC(O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358397678 299718855 /nfs/dbraw/zinc/71/88/55/299718855.db2.gz RBVHVBWAGRHAEI-UHFFFAOYSA-N 0 3 325.340 0.849 20 5 ECBDHN CCN1CCN(CCNC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000133358563 296672765 /nfs/dbraw/zinc/67/27/65/296672765.db2.gz RLYGDBKNDBPGTE-UHFFFAOYSA-N 0 3 338.412 0.244 20 5 ECBDHN C[C@H]1NCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H]1C ZINC000262744046 165380619 /nfs/dbraw/zinc/38/06/19/165380619.db2.gz JIQZEOSFJXBKDG-MNOVXSKESA-N 0 3 330.348 0.998 20 5 ECBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(S(N)(=O)=O)c1 ZINC000359301310 299836857 /nfs/dbraw/zinc/83/68/57/299836857.db2.gz JSDWCXBAYGOPNR-SNVBAGLBSA-N 0 3 339.377 0.790 20 5 ECBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H]1N(C)C ZINC000270376132 263238359 /nfs/dbraw/zinc/23/83/59/263238359.db2.gz OBKBHFSEPHRPMZ-MNOVXSKESA-N 0 3 325.394 0.571 20 5 ECBDHN C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](C)CN1 ZINC000272555006 263352064 /nfs/dbraw/zinc/35/20/64/263352064.db2.gz LCTVYJNYSFDHMR-GHMZBOCLSA-N 0 3 330.348 0.998 20 5 ECBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296785072 265116629 /nfs/dbraw/zinc/11/66/29/265116629.db2.gz QLBQFBOVHTUGOH-GFCCVEGCSA-N 0 3 343.384 0.609 20 5 ECBDHN CCN1CC[C@@H]2OCCN(CCn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000339396423 297345222 /nfs/dbraw/zinc/34/52/22/297345222.db2.gz WRAFSMSSKZBNSP-CABCVRRESA-N 0 3 336.392 0.552 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339763215 297381032 /nfs/dbraw/zinc/38/10/32/297381032.db2.gz ZFXXAJSSTWOHCN-HOTGVXAUSA-N 0 3 337.376 0.666 20 5 ECBDHN COC1CCN(C(C)(C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000341329597 297626047 /nfs/dbraw/zinc/62/60/47/297626047.db2.gz RAKOCJHKXVFTEW-UHFFFAOYSA-N 0 3 340.384 0.192 20 5 ECBDHN CN(C)S(=O)(=O)N1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000342240647 297724640 /nfs/dbraw/zinc/72/46/40/297724640.db2.gz VLSMAMIABZBDQX-CYBMUJFWSA-N 0 3 342.421 0.955 20 5 ECBDHN COc1ccc(S(=O)(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000347174896 298415107 /nfs/dbraw/zinc/41/51/07/298415107.db2.gz JYHWVVQCVHZUIE-UHFFFAOYSA-N 0 3 347.393 0.460 20 5 ECBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000363681914 300285570 /nfs/dbraw/zinc/28/55/70/300285570.db2.gz GTUSOWDVWYPSDU-KGLIPLIRSA-N 0 3 348.359 0.513 20 5 ECBDHN COc1ccc(CN(C)C)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000516464016 301667188 /nfs/dbraw/zinc/66/71/88/301667188.db2.gz HXKYBCTZTGWCAB-UHFFFAOYSA-N 0 3 334.336 0.895 20 5 ECBDHN CCS(=O)(=O)C[C@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520569013 301774927 /nfs/dbraw/zinc/77/49/27/301774927.db2.gz PANQKWBAQIFIKW-WCQYABFASA-N 0 3 346.405 0.747 20 5 ECBDHN COc1ccc(CC(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000530859878 302032074 /nfs/dbraw/zinc/03/20/74/302032074.db2.gz SYCZWABTPLXUCJ-UHFFFAOYSA-N 0 3 337.376 0.719 20 5 ECBDHN COc1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000552028078 302381696 /nfs/dbraw/zinc/38/16/96/302381696.db2.gz GRZCUTRZLRQMEG-MRXNPFEDSA-N 0 3 335.360 0.790 20 5 ECBDHN Cc1c(C(=O)NC[C@](C)(O)CN(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000152604281 436735617 /nfs/dbraw/zinc/73/56/17/436735617.db2.gz YLBVGSMQSCQKEK-AWEZNQCLSA-N 0 3 340.336 0.854 20 5 ECBDHN COCC1(O)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273195212 436737381 /nfs/dbraw/zinc/73/73/81/436737381.db2.gz RUFCJURWHZFNFU-ZDUSSCGKSA-N 0 3 340.376 0.808 20 5 ECBDHN CN(C)CCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000068497907 436746968 /nfs/dbraw/zinc/74/69/68/436746968.db2.gz QHRBLHRSKUYURY-UHFFFAOYSA-N 0 3 338.364 0.718 20 5 ECBDHN CS[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1N1CCCC1 ZINC000273477958 436758205 /nfs/dbraw/zinc/75/82/05/436758205.db2.gz IFWXYZHJUIXNSI-NWDGAFQWSA-N 0 3 339.421 0.830 20 5 ECBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274416598 436824718 /nfs/dbraw/zinc/82/47/18/436824718.db2.gz CSMRVHPNJXGODK-UHFFFAOYSA-N 0 3 335.408 0.887 20 5 ECBDHN N[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCOCC1 ZINC000261813679 436890873 /nfs/dbraw/zinc/89/08/73/436890873.db2.gz OYFNYSBVVFWODO-MRXNPFEDSA-N 0 3 348.403 0.997 20 5 ECBDHN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CN(C)CCO1 ZINC000134968778 436907851 /nfs/dbraw/zinc/90/78/51/436907851.db2.gz CETBJFGVSUVUCX-NOZJJQNGSA-N 0 3 333.348 0.920 20 5 ECBDHN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CN(C)CCO1 ZINC000134968756 436908120 /nfs/dbraw/zinc/90/81/20/436908120.db2.gz CETBJFGVSUVUCX-TVQRCGJNSA-N 0 3 333.348 0.920 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](OCc3ccncc3)C2)c1 ZINC000280935525 436934218 /nfs/dbraw/zinc/93/42/18/436934218.db2.gz HLJYWYCVPBJXAD-HOTGVXAUSA-N 0 3 347.375 0.838 20 5 ECBDHN CN1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1(C)C ZINC000281705864 436990969 /nfs/dbraw/zinc/99/09/69/436990969.db2.gz HFZMRICSVMVWAR-UHFFFAOYSA-N 0 3 335.408 0.933 20 5 ECBDHN CN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000176640819 437152169 /nfs/dbraw/zinc/15/21/69/437152169.db2.gz VMJOYGPWIDFINR-AWEZNQCLSA-N 0 3 334.376 0.877 20 5 ECBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1N1CCCC1 ZINC000331639170 437135262 /nfs/dbraw/zinc/13/52/62/437135262.db2.gz UICNUDVSMHSOTP-QWRGUYRKSA-N 0 3 325.394 0.970 20 5 ECBDHN CS[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1N1CCCC1 ZINC000331639218 437136119 /nfs/dbraw/zinc/13/61/19/437136119.db2.gz UISAISCHWFHOLE-RYUDHWBXSA-N 0 3 339.421 0.980 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCCCN1C1CC1 ZINC000277526874 437228268 /nfs/dbraw/zinc/22/82/68/437228268.db2.gz MGBJDOVGFWYPAC-CYBMUJFWSA-N 0 3 334.376 0.890 20 5 ECBDHN CC(C)[C@@](C)(NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000289470573 437412995 /nfs/dbraw/zinc/41/29/95/437412995.db2.gz YZLVLGDYIBWWHW-IUODEOHRSA-N 0 3 325.365 0.824 20 5 ECBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cn(C)c(=O)n(C)c1=O ZINC000289573415 437424955 /nfs/dbraw/zinc/42/49/55/437424955.db2.gz SQLUBUDRHTWQGV-UHFFFAOYSA-N 0 3 332.360 0.667 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCO)C[C@@H](C)O ZINC000289664127 437431915 /nfs/dbraw/zinc/43/19/15/437431915.db2.gz FLXLKBGHDXRYKO-GFCCVEGCSA-N 0 3 325.365 0.907 20 5 ECBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268170330 437377512 /nfs/dbraw/zinc/37/75/12/437377512.db2.gz JVWBJISDVPWBJZ-XHDPSFHLSA-N 0 3 346.387 0.924 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1(CCO)CCN(C)CC1 ZINC000354142851 437541473 /nfs/dbraw/zinc/54/14/73/437541473.db2.gz JWKZDHVPWIBDLJ-UHFFFAOYSA-N 0 3 339.396 0.453 20 5 ECBDHN C[C@@H]1COCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192567809 437681930 /nfs/dbraw/zinc/68/19/30/437681930.db2.gz SDNMSYNZPRGTHV-VXGBXAGGSA-N 0 3 343.405 0.888 20 5 ECBDHN CCN1CCN(C[C@H](C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000193578528 437712260 /nfs/dbraw/zinc/71/22/60/437712260.db2.gz DWYJSGILJAEOMX-CYBMUJFWSA-N 0 3 338.412 0.181 20 5 ECBDHN CC(C)(CC[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000424046702 437882951 /nfs/dbraw/zinc/88/29/51/437882951.db2.gz LYBABLWWOQXEFG-UHFFFAOYSA-N 0 3 344.393 0.117 20 5 ECBDHN CCN1CCN([C@H](C)CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357297562 437959547 /nfs/dbraw/zinc/95/95/47/437959547.db2.gz HNMDPTPQOAHADZ-LLVKDONJSA-N 0 3 336.396 0.527 20 5 ECBDHN CN(C)CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000357467250 437994376 /nfs/dbraw/zinc/99/43/76/437994376.db2.gz CTANNOCUWZKEET-UHFFFAOYSA-N 0 3 338.383 0.982 20 5 ECBDHN O=C1C[C@@]2(CN1)CCCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000342762616 438058345 /nfs/dbraw/zinc/05/83/45/438058345.db2.gz VUBJTKXJPAKXOD-CXAGYDPISA-N 0 3 349.387 0.937 20 5 ECBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000374829932 438233828 /nfs/dbraw/zinc/23/38/28/438233828.db2.gz PVELPOWZSUUFBO-NXEZZACHSA-N 0 3 338.339 0.909 20 5 ECBDHN CC(C)c1[nH]nc(C(=O)Nc2ccn(CCN(C)C)n2)c1[N+](=O)[O-] ZINC000434182768 438282109 /nfs/dbraw/zinc/28/21/09/438282109.db2.gz LLGYTXZJBYTVCB-UHFFFAOYSA-N 0 3 335.368 1.452 20 5 ECBDHN CSC1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCN(C)CC1 ZINC000359253807 438393749 /nfs/dbraw/zinc/39/37/49/438393749.db2.gz AYCUFSXOOXBONS-UHFFFAOYSA-N 0 3 327.410 0.735 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1C[NH2+]CCCO1 ZINC000389889554 438429818 /nfs/dbraw/zinc/42/98/18/438429818.db2.gz JSHUTZJTPOWGFO-NSHDSACASA-N 0 3 329.378 0.560 20 5 ECBDHN Cc1nc(C)n(C[C@@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000369781334 438513679 /nfs/dbraw/zinc/51/36/79/438513679.db2.gz DCEFLSSYGFYLIU-ZFWWWQNUSA-N 0 3 349.395 0.525 20 5 ECBDHN CN(C)CCN(C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000443230830 438649439 /nfs/dbraw/zinc/64/94/39/438649439.db2.gz ZLEMBTMLTBTZIF-UHFFFAOYSA-N 0 3 337.380 0.414 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000493866743 438653943 /nfs/dbraw/zinc/65/39/43/438653943.db2.gz DFJBACXJWQTUIQ-UUSXEQNQSA-N 0 3 330.344 0.378 20 5 ECBDHN CN1CCC[C@H]1CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000454623794 438723020 /nfs/dbraw/zinc/72/30/20/438723020.db2.gz CWXZTYNHSJGUKS-ZDUSSCGKSA-N 0 3 348.407 0.916 20 5 ECBDHN CCS(=O)(=O)C[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575174860 438741006 /nfs/dbraw/zinc/74/10/06/438741006.db2.gz WYMVUIBXCWOPJN-NWDGAFQWSA-N 0 3 346.405 0.747 20 5 ECBDHN COc1cccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000578452952 438926241 /nfs/dbraw/zinc/92/62/41/438926241.db2.gz ZINJAXXYJPTEHR-MRXNPFEDSA-N 0 3 335.360 0.790 20 5 ECBDHN Cc1c(C(=O)N[C@H](CO)CN(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000590548853 438931342 /nfs/dbraw/zinc/93/13/42/438931342.db2.gz GUBXNMCPGTUNIZ-NSHDSACASA-N 0 3 348.363 0.136 20 5 ECBDHN CC(=O)Nc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000565829060 438982437 /nfs/dbraw/zinc/98/24/37/438982437.db2.gz SDEHZRZNZXDGGQ-ZDUSSCGKSA-N 0 3 334.336 0.295 20 5 ECBDHN COC(=O)c1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000566491247 439062990 /nfs/dbraw/zinc/06/29/90/439062990.db2.gz SVKBNMSFDFKGIC-WCQYABFASA-N 0 3 348.359 0.438 20 5 ECBDHN COc1cc(C(=O)NC[C@@H]2CNCCO2)cc([N+](=O)[O-])c1OC ZINC000521611772 439125113 /nfs/dbraw/zinc/12/51/13/439125113.db2.gz UMPBXZFFZJYGIM-JTQLQIEISA-N 0 3 325.321 0.330 20 5 ECBDHN C[C@H]1C[C@@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000592363457 439212573 /nfs/dbraw/zinc/21/25/73/439212573.db2.gz ZBNWEDGUSWEOHR-WDEREUQCSA-N 0 3 329.378 0.640 20 5 ECBDHN COCCNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592385263 439215674 /nfs/dbraw/zinc/21/56/74/439215674.db2.gz CZKXVPRIEKOKIV-UHFFFAOYSA-N 0 3 333.366 0.118 20 5 ECBDHN N[C@H]1C[C@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])CCN2C1=O ZINC000569355532 439325395 /nfs/dbraw/zinc/32/53/95/439325395.db2.gz PWSUAILHMQBVGR-JQWIXIFHSA-N 0 3 327.344 0.891 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000592870046 439295053 /nfs/dbraw/zinc/29/50/53/439295053.db2.gz CDHAPCKGVFYSCZ-SNVBAGLBSA-N 0 3 335.364 0.369 20 5 ECBDHN C[C@H]1NCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000598666199 439299442 /nfs/dbraw/zinc/29/94/42/439299442.db2.gz VSVWQWACHPIJNK-GHMZBOCLSA-N 0 3 335.364 0.925 20 5 ECBDHN CN(C)CCn1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000569824871 439366943 /nfs/dbraw/zinc/36/69/43/439366943.db2.gz WZLCLYPAAPAVRD-UHFFFAOYSA-N 0 3 344.375 0.946 20 5 ECBDHN N[C@H]1C[C@@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)CCN2C1=O ZINC000583575996 439484771 /nfs/dbraw/zinc/48/47/71/439484771.db2.gz YWYJFIQRPASGNG-OLZOCXBDSA-N 0 3 327.344 0.891 20 5 ECBDHN COc1ncc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000583688865 439498982 /nfs/dbraw/zinc/49/89/82/439498982.db2.gz HPOMJYZJHSWGLS-NSHDSACASA-N 0 3 341.755 0.999 20 5 ECBDHN CC(=O)NC[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599705611 439539589 /nfs/dbraw/zinc/53/95/89/439539589.db2.gz XQXKEVLCQCXFGK-OCCSQVGLSA-N 0 3 325.369 0.143 20 5 ECBDHN CNc1nccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000594333114 439542159 /nfs/dbraw/zinc/54/21/59/439542159.db2.gz UNSYNVAAPQXCNS-GHMZBOCLSA-N 0 3 339.421 1.149 20 5 ECBDHN CNc1nccc(C(=O)Nc2ccnn2CCN(C)C)c1[N+](=O)[O-] ZINC000572056787 439553487 /nfs/dbraw/zinc/55/34/87/439553487.db2.gz ALYJVNQLWXBLFE-UHFFFAOYSA-N 0 3 333.352 1.042 20 5 ECBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC(=O)N(C)C1 ZINC000572100431 439557235 /nfs/dbraw/zinc/55/72/35/439557235.db2.gz XEEYVCFNHLQGLP-ZIAGYGMSSA-N 0 3 337.376 0.887 20 5 ECBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(CC2CC2)C1 ZINC000609393470 439569255 /nfs/dbraw/zinc/56/92/55/439569255.db2.gz WJNFKBWIWDAOOS-CQSZACIVSA-N 0 3 346.387 0.925 20 5 ECBDHN N[C@H]1C[C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)CCN2C1=O ZINC000594702757 439593788 /nfs/dbraw/zinc/59/37/88/439593788.db2.gz XGHNABXNDCTHIP-APPZFPTMSA-N 0 3 334.361 0.348 20 5 ECBDHN C[C@@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000493069769 439598435 /nfs/dbraw/zinc/59/84/35/439598435.db2.gz JBKKHXNSQQBZDN-QDZRJHCZSA-N 0 3 334.376 0.791 20 5 ECBDHN CN(C)C(=O)c1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000610335829 439610317 /nfs/dbraw/zinc/61/03/17/439610317.db2.gz VRVPXFYMSCQPLE-HNNXBMFYSA-N 0 3 347.375 0.644 20 5 ECBDHN Cc1noc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000595346359 439709224 /nfs/dbraw/zinc/70/92/24/439709224.db2.gz UYMMEFJKOUWAIO-LBPRGKRZSA-N 0 3 337.380 0.630 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000611185089 439677407 /nfs/dbraw/zinc/67/74/07/439677407.db2.gz UVUYQIQWXMAGOK-GJZGRUSLSA-N 0 3 336.392 0.288 20 5 ECBDHN CN(C)C[C@@]1(O)CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000618924324 440178053 /nfs/dbraw/zinc/17/80/53/440178053.db2.gz XNOZYJMLDVPJDA-INIZCTEOSA-N 0 3 337.376 0.889 20 5 ECBDHN CN(C)C[C@@]1(O)CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000618923306 440178831 /nfs/dbraw/zinc/17/88/31/440178831.db2.gz DTGKHQHABHERRK-INIZCTEOSA-N 0 3 337.376 0.889 20 5 ECBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](OCCN(C)C)C2)n1 ZINC000342641538 321097018 /nfs/dbraw/zinc/09/70/18/321097018.db2.gz WUROJWXMQLGELN-LLVKDONJSA-N 0 3 338.364 0.933 20 5 ECBDHN CN(C)CC[C@](C)(O)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000352108366 321349194 /nfs/dbraw/zinc/34/91/94/321349194.db2.gz XNCXBQOQSWYFKQ-HNNXBMFYSA-N 0 3 325.365 0.793 20 5 ECBDHN CCN(CC)CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000559354119 322218723 /nfs/dbraw/zinc/21/87/23/322218723.db2.gz KHETZMVBVHYUOU-UHFFFAOYSA-N 0 3 348.403 0.938 20 5 ECBDHN COc1cc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000565207317 322439684 /nfs/dbraw/zinc/43/96/84/322439684.db2.gz ICMXUWVFWHWIJS-JTQLQIEISA-N 0 3 338.364 0.400 20 5 ECBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000566518556 322540768 /nfs/dbraw/zinc/54/07/68/322540768.db2.gz LADMGLCZOUYNSW-VIFPVBQESA-N 0 3 340.384 0.237 20 5 ECBDHN CC(C)N1CC[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000569715969 322662887 /nfs/dbraw/zinc/66/28/87/322662887.db2.gz XCYKOTWKOJSMIS-QWHCGFSZSA-N 0 3 337.376 0.933 20 5 ECBDHN CO[C@@H]1COC[C@H]1NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000575120684 322791168 /nfs/dbraw/zinc/79/11/68/322791168.db2.gz FIEYLJFXKVCIME-BXUZGUMPSA-N 0 3 337.332 0.896 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000575936112 322798650 /nfs/dbraw/zinc/79/86/50/322798650.db2.gz LUWJTXMHSFPVRN-MWLCHTKSSA-N 0 3 338.751 0.632 20 5 ECBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1 ZINC000576257911 322804227 /nfs/dbraw/zinc/80/42/27/322804227.db2.gz IPQHUWMXGGWZHT-MRXNPFEDSA-N 0 3 335.360 0.790 20 5 ECBDHN C[C@H]1CS(=O)(=O)C[C@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577385585 322833737 /nfs/dbraw/zinc/83/37/37/322833737.db2.gz NIBLIMSGYVBJNU-QJPTWQEYSA-N 0 3 344.389 0.357 20 5 ECBDHN CN(C)CCOc1cccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000340554075 517902461 /nfs/dbraw/zinc/90/24/61/517902461.db2.gz QXYJSBXURBGZNW-UHFFFAOYSA-N 0 3 348.363 0.443 20 5 ECBDHN CNC(=O)C1(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000733998959 578351327 /nfs/dbraw/zinc/35/13/27/578351327.db2.gz IJOKIOHKHIIZHB-CYBMUJFWSA-N 0 3 337.376 0.983 20 5 ECBDHN COCC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737006180 578472538 /nfs/dbraw/zinc/47/25/38/578472538.db2.gz WFDLKLAILWVYRO-JTQLQIEISA-N 0 3 348.367 0.693 20 5 ECBDHN COCC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737006180 578472539 /nfs/dbraw/zinc/47/25/39/578472539.db2.gz WFDLKLAILWVYRO-JTQLQIEISA-N 0 3 348.367 0.693 20 5 ECBDHN COCCN(C)CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778253934 579307451 /nfs/dbraw/zinc/30/74/51/579307451.db2.gz JUDIVBQSWLAPHA-UHFFFAOYSA-N 0 3 339.377 0.908 20 5 ECBDHN O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCO)CC2)c(-c2nnn[n-]2)c1 ZINC000738368899 579624396 /nfs/dbraw/zinc/62/43/96/579624396.db2.gz FLEIZKSHBWIEOR-UHFFFAOYSA-N 0 3 333.352 0.279 20 5 ECBDHN O=[N+]([O-])c1ccc(N2CCC[N@H+](CCO)CC2)c(-c2nnn[n-]2)c1 ZINC000738368899 579624397 /nfs/dbraw/zinc/62/43/97/579624397.db2.gz FLEIZKSHBWIEOR-UHFFFAOYSA-N 0 3 333.352 0.279 20 5 ECBDHN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)C2CNC2)c(C)c1[N+](=O)[O-] ZINC000842867180 589040025 /nfs/dbraw/zinc/04/00/25/589040025.db2.gz NLYKEJIXNOEUCS-UHFFFAOYSA-N 0 3 344.349 0.712 20 5 ECBDHN CON(C)S(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813103476 587248113 /nfs/dbraw/zinc/24/81/13/587248113.db2.gz BQGWXTKHVMBKKV-VIFPVBQESA-N 0 3 332.334 0.691 20 5 ECBDHN CC(COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813111779 587248423 /nfs/dbraw/zinc/24/84/23/587248423.db2.gz XHNSHMPDOKVHAD-VIFPVBQESA-N 0 3 340.292 0.602 20 5 ECBDHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112759 587248492 /nfs/dbraw/zinc/24/84/92/587248492.db2.gz KMRQZXJALDGDRM-MNOVXSKESA-N 0 3 330.362 0.870 20 5 ECBDHN CCS(=O)(=O)N[C@H](CCSC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112673 587248523 /nfs/dbraw/zinc/24/85/23/587248523.db2.gz SMYDJSAWKKPCRB-RKDXNWHRSA-N 0 3 328.412 0.256 20 5 ECBDHN CC(COC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[N+](=O)[O-] ZINC000813106790 587248567 /nfs/dbraw/zinc/24/85/67/587248567.db2.gz HVKZGFUEJVJNJN-HWPZZCPQSA-N 0 3 347.327 0.588 20 5 ECBDHN CC(COC(=O)CSc1nnnn1CC(F)(F)F)[N+](=O)[O-] ZINC000813112599 587248622 /nfs/dbraw/zinc/24/86/22/587248622.db2.gz JDIUGSSIPQCHOV-RXMQYKEDSA-N 0 3 329.260 0.536 20 5 ECBDHN CN1CCN(C(=O)CCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819062984 587466338 /nfs/dbraw/zinc/46/63/38/587466338.db2.gz VFXUYDRHMSZCQJ-OAHLLOKOSA-N 0 3 336.392 0.382 20 5 ECBDHN CN(CC1CN(C)C1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000853553564 589547962 /nfs/dbraw/zinc/54/79/62/589547962.db2.gz FRFCZIYLOHCAMM-MRXNPFEDSA-N 0 3 334.376 0.983 20 5 ECBDHN C[C@H](NC[C@]12COCCN1C(=O)COC2)c1cccc([N+](=O)[O-])c1 ZINC000866556238 589750529 /nfs/dbraw/zinc/75/05/29/589750529.db2.gz QXUNTXXNAXELDY-BLLLJJGKSA-N 0 3 335.360 0.873 20 5 ECBDHN COCCN(CC1CCN(C)CC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000869769495 589978008 /nfs/dbraw/zinc/97/80/08/589978008.db2.gz GZANUGLLXJYLOB-UHFFFAOYSA-N 0 3 339.396 0.608 20 5 ECBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](CO)CN1CCCC1 ZINC000879993280 590359698 /nfs/dbraw/zinc/35/96/98/590359698.db2.gz WIXWKQAMUJIPNT-CYBMUJFWSA-N 0 3 325.340 0.849 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000935819504 611404388 /nfs/dbraw/zinc/40/43/88/611404388.db2.gz YPGIJADJSFLQNT-UHFFFAOYSA-N 0 3 338.412 0.242 20 5 ECBDHN C[NH2+]CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237141362 608713296 /nfs/dbraw/zinc/71/32/96/608713296.db2.gz XXCWLPCOYFFVQV-UHFFFAOYSA-N 0 3 338.183 0.855 20 5 ECBDHN NCc1cn([C@H]2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)nn1 ZINC000842512055 611314514 /nfs/dbraw/zinc/31/45/14/611314514.db2.gz ZYJSYUZHXGSYHE-LBPRGKRZSA-N 0 3 345.363 0.705 20 5 ECBDHN Cc1n[nH]c(C(C)C)c1C(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000955317269 612435535 /nfs/dbraw/zinc/43/55/35/612435535.db2.gz FCLWAHNBSSUFSE-VXGBXAGGSA-N 0 3 349.391 0.790 20 5 ECBDHN Cc1ncc(CN2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001001399144 746340366 /nfs/dbraw/zinc/34/03/66/746340366.db2.gz JDZOLMRSJXYVIL-HUUCEWRRSA-N 0 3 333.392 0.778 20 5 ECBDHN CN(Cc1cc2n(n1)CCC2)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985424963 747972136 /nfs/dbraw/zinc/97/21/36/747972136.db2.gz CQCUDPMVNQDYHK-HZPDHXFCSA-N 0 3 347.419 0.917 20 5 ECBDHN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn2cncc2c1 ZINC001003393417 748501934 /nfs/dbraw/zinc/50/19/34/748501934.db2.gz JCUFTWKTEIICQG-ZIAGYGMSSA-N 0 3 343.343 0.188 20 5 ECBDHN O=C(NCCNCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126939173 756805178 /nfs/dbraw/zinc/80/51/78/756805178.db2.gz PYNPNSNPFDQYDB-HUUCEWRRSA-N 0 3 347.350 0.882 20 5 ECBDHN CCn1ccnc1CN1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC001048814417 757082458 /nfs/dbraw/zinc/08/24/58/757082458.db2.gz KNOKVTUAKAWQAM-XJFOESAGSA-N 0 3 333.392 0.458 20 5 ECBDHN Cn1ncc(CN2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C3)n1 ZINC001048525076 760662767 /nfs/dbraw/zinc/66/27/67/760662767.db2.gz JXNVKCZQELCFKN-COWZWYNKSA-N 0 3 348.407 0.340 20 5 ECBDHN Cc1cccn(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1=O ZINC001127181448 763516628 /nfs/dbraw/zinc/51/66/28/763516628.db2.gz JZWRDZQXZTXDMC-UHFFFAOYSA-N 0 3 344.371 0.971 20 5 ECBDHN COc1cccc(OCCN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001031661927 766379372 /nfs/dbraw/zinc/37/93/72/766379372.db2.gz NEEFQQJZDBWLHR-HZPDHXFCSA-N 0 3 349.387 0.787 20 5 ECBDHN O=C(Cn1nccn1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020199728 772274065 /nfs/dbraw/zinc/27/40/65/772274065.db2.gz ZVKGQVLCJJQKSE-JOCQHMNTSA-N 0 3 330.348 0.623 20 5 ECBDHN COCC(=O)N[C@H]1CC[C@H](NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001267920127 838795828 /nfs/dbraw/zinc/79/58/28/838795828.db2.gz JHCFWUIODNUKGH-XYPYZODXSA-N 0 3 325.369 0.492 20 5 ECBDHN CN(C)CCOc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000354531157 299065525 /nfs/dbraw/zinc/06/55/25/299065525.db2.gz IPIKESLCSBHSPC-UHFFFAOYSA-N 0 3 334.336 0.765 20 5 ECBDHN CCN(C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000111661370 220177166 /nfs/dbraw/zinc/17/71/66/220177166.db2.gz DSHGCCPDBLDWAV-LLVKDONJSA-N 0 3 338.364 0.860 20 5 ECBDHN COCCOC[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557191 211329219 /nfs/dbraw/zinc/32/92/19/211329219.db2.gz BMUGWWFLPCNKSD-TZMCWYRMSA-N 0 3 340.380 0.500 20 5 ECBDHN CCc1n[nH]c(C(=O)NC2(CCO)CCN(C)CC2)c1[N+](=O)[O-] ZINC000444339461 211070405 /nfs/dbraw/zinc/07/04/05/211070405.db2.gz HUCSTWBMQUDKJA-UHFFFAOYSA-N 0 3 325.369 0.457 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000411953476 208176710 /nfs/dbraw/zinc/17/67/10/208176710.db2.gz UGYVYTPFHHQVTI-XHSDSOJGSA-N 0 3 332.360 0.960 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@](C)(O)CCN(C)C ZINC000429902896 210340698 /nfs/dbraw/zinc/34/06/98/210340698.db2.gz XFDLIOWOBDCWGC-CQSZACIVSA-N 0 3 327.385 0.309 20 5 ECBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@H]1CC[NH2+]C1)OCCO2 ZINC000262750087 296502024 /nfs/dbraw/zinc/50/20/24/296502024.db2.gz MVASENTZNDHNCJ-QMMMGPOBSA-N 0 3 329.334 0.006 20 5 ECBDHN COC(=O)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000248957564 165191537 /nfs/dbraw/zinc/19/15/37/165191537.db2.gz ATYVCLHCGGGASB-WCFLWFBJSA-N 0 3 326.353 0.283 20 5 ECBDHN CNC(=O)[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000182424895 263157085 /nfs/dbraw/zinc/15/70/85/263157085.db2.gz GTQLOFQUNIYSRH-FZMZJTMJSA-N 0 3 325.365 0.695 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272293233 263343008 /nfs/dbraw/zinc/34/30/08/263343008.db2.gz HMDJTPWNBVDFOD-AWEZNQCLSA-N 0 3 325.321 0.366 20 5 ECBDHN C[C@@H](NCCOCCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284944056 264260131 /nfs/dbraw/zinc/26/01/31/264260131.db2.gz DYLZAZHUYDQXEQ-SNVBAGLBSA-N 0 3 331.394 0.889 20 5 ECBDHN NC(=O)[C@@]1(O)CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000285202973 264290232 /nfs/dbraw/zinc/29/02/32/264290232.db2.gz WSSBGEVNXKUHRK-MRXNPFEDSA-N 0 3 346.343 0.714 20 5 ECBDHN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000447243607 289481185 /nfs/dbraw/zinc/48/11/85/289481185.db2.gz BHZLIKGIZBOXFL-MRVPVSSYSA-N 0 3 331.350 0.382 20 5 ECBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000331885291 296978732 /nfs/dbraw/zinc/97/87/32/296978732.db2.gz DLIYRCZJRKNFKR-CHWSQXEVSA-N 0 3 334.376 0.842 20 5 ECBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000332689079 297065255 /nfs/dbraw/zinc/06/52/55/297065255.db2.gz LGRMSVPEQCRHNA-GHMZBOCLSA-N 0 3 339.396 0.968 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000346177902 298233651 /nfs/dbraw/zinc/23/36/51/298233651.db2.gz AKOKSKAZLIZSTK-WCQYABFASA-N 0 3 348.363 0.902 20 5 ECBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000346724753 298329084 /nfs/dbraw/zinc/32/90/84/298329084.db2.gz XSFXHEPQYXXWJG-ZDUSSCGKSA-N 0 3 325.369 0.361 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOCCN(C)C ZINC000347171326 298414350 /nfs/dbraw/zinc/41/43/50/298414350.db2.gz GUJHSFWLKWEBCS-UHFFFAOYSA-N 0 3 331.394 0.760 20 5 ECBDHN CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)NCCN(C)C ZINC000354494992 299057128 /nfs/dbraw/zinc/05/71/28/299057128.db2.gz GKCBLAZYTNHVOW-JTQLQIEISA-N 0 3 340.384 0.140 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000361826087 300130689 /nfs/dbraw/zinc/13/06/89/300130689.db2.gz RWAVZEGZTJJAFO-LBPRGKRZSA-N 0 3 349.391 0.312 20 5 ECBDHN CN(C)CCN1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000362890430 300231029 /nfs/dbraw/zinc/23/10/29/300231029.db2.gz LHWJBYMDWOYACV-UHFFFAOYSA-N 0 3 336.396 0.162 20 5 ECBDHN CNC(=O)c1ccc(N2CCCN([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000364262994 300340205 /nfs/dbraw/zinc/34/02/05/300340205.db2.gz BPNGIHVXMZDCGQ-GFCCVEGCSA-N 0 3 336.392 0.847 20 5 ECBDHN CNC(=O)c1ccc(N2CCCN([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000364262995 300340363 /nfs/dbraw/zinc/34/03/63/300340363.db2.gz BPNGIHVXMZDCGQ-LBPRGKRZSA-N 0 3 336.392 0.847 20 5 ECBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000368369671 300662790 /nfs/dbraw/zinc/66/27/90/300662790.db2.gz KWIHWGBCYNTBSP-UWVGGRQHSA-N 0 3 334.311 0.605 20 5 ECBDHN Cc1n[n-]c(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000069743515 435961968 /nfs/dbraw/zinc/96/19/68/435961968.db2.gz LAHFGYDRVGSHNB-LBPRGKRZSA-N 0 3 337.380 0.811 20 5 ECBDHN CN(C)CCN1C[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000074225601 436113161 /nfs/dbraw/zinc/11/31/61/436113161.db2.gz NJZGMGIPIORZKH-ZDUSSCGKSA-N 0 3 334.376 0.621 20 5 ECBDHN CC(C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000076168565 436190950 /nfs/dbraw/zinc/19/09/50/436190950.db2.gz IKKSQGANLYFDOG-LLVKDONJSA-N 0 3 341.389 0.677 20 5 ECBDHN CN1CC[NH2+]C[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000394106658 301453057 /nfs/dbraw/zinc/45/30/57/301453057.db2.gz ZKYUYDPSLUQDHQ-JTQLQIEISA-N 0 3 348.812 0.430 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000493545525 301541283 /nfs/dbraw/zinc/54/12/83/301541283.db2.gz CSVVNMRORIHBNW-HNCOSLNKSA-N 0 3 330.344 0.378 20 5 ECBDHN CCCNC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090522627 436432765 /nfs/dbraw/zinc/43/27/65/436432765.db2.gz KJQVCFMSEKWZII-CYBMUJFWSA-N 0 3 336.392 0.995 20 5 ECBDHN CN(CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000531007344 302037754 /nfs/dbraw/zinc/03/77/54/302037754.db2.gz IKSCYJPVHMNJTJ-UHFFFAOYSA-N 0 3 348.407 0.916 20 5 ECBDHN COc1cccc(C(=O)N2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000195332775 436687884 /nfs/dbraw/zinc/68/78/84/436687884.db2.gz PFUMWUBQXOMUPX-UHFFFAOYSA-N 0 3 336.392 0.923 20 5 ECBDHN CS[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1N(C)C ZINC000272101151 436704135 /nfs/dbraw/zinc/70/41/35/436704135.db2.gz ZOXBLRJQYJXQII-QWHCGFSZSA-N 0 3 326.422 0.734 20 5 ECBDHN CN1CCN([C@@H]2CCCCN(CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000120048935 436677584 /nfs/dbraw/zinc/67/75/84/436677584.db2.gz IZSILPLODKCVNQ-OAHLLOKOSA-N 0 3 336.440 0.893 20 5 ECBDHN COCCO[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245816869 436769238 /nfs/dbraw/zinc/76/92/38/436769238.db2.gz DEUWSVRUYWQKJY-ZIAGYGMSSA-N 0 3 328.369 0.280 20 5 ECBDHN O=C(CNC1CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154445260 436779956 /nfs/dbraw/zinc/77/99/56/436779956.db2.gz LAWGTSBOQJUAHO-UHFFFAOYSA-N 0 3 332.360 0.631 20 5 ECBDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000161420124 436889635 /nfs/dbraw/zinc/88/96/35/436889635.db2.gz FMGMSCPDFZCXON-CYBMUJFWSA-N 0 3 331.394 0.327 20 5 ECBDHN CN(C)CCOc1cc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])ccn1 ZINC000135211401 436911633 /nfs/dbraw/zinc/91/16/33/436911633.db2.gz WPOJNKRTRDNLQM-UHFFFAOYSA-N 0 3 334.336 0.583 20 5 ECBDHN CN(C)CCn1nccc1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000294255830 436944209 /nfs/dbraw/zinc/94/42/09/436944209.db2.gz PVAPMPQGBQNPNU-UHFFFAOYSA-N 0 3 336.356 0.371 20 5 ECBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000171565811 436981995 /nfs/dbraw/zinc/98/19/95/436981995.db2.gz RMXAEKHOQZFJOE-GFCCVEGCSA-N 0 3 339.396 0.820 20 5 ECBDHN COC(=O)c1cn(CCN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)nn1 ZINC000284142159 437044326 /nfs/dbraw/zinc/04/43/26/437044326.db2.gz QFCZTHXRPUQMCP-SECBINFHSA-N 0 3 334.336 0.906 20 5 ECBDHN CC1CCN(C[C@H](O)CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301178013 437116230 /nfs/dbraw/zinc/11/62/30/437116230.db2.gz NQLZZTOWLOBNSZ-GFCCVEGCSA-N 0 3 337.380 0.593 20 5 ECBDHN CCN(C)CCNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000265430003 437129212 /nfs/dbraw/zinc/12/92/12/437129212.db2.gz RSWYYDZBTJILMO-UHFFFAOYSA-N 0 3 338.364 0.401 20 5 ECBDHN CCN(CC)CC(=O)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176230422 437134729 /nfs/dbraw/zinc/13/47/29/437134729.db2.gz HJTLYOWYDKWSSR-UHFFFAOYSA-N 0 3 338.412 0.277 20 5 ECBDHN CCCc1n[n-]c(C(=O)N2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000265742542 437184806 /nfs/dbraw/zinc/18/48/06/437184806.db2.gz GTNKZLIUOCJFIQ-UHFFFAOYSA-N 0 3 347.379 0.966 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000287725856 437226150 /nfs/dbraw/zinc/22/61/50/437226150.db2.gz YFNFXNHCNODKKL-PHIMTYICSA-N 0 3 325.369 0.937 20 5 ECBDHN CN1C[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000278375737 437308674 /nfs/dbraw/zinc/30/86/74/437308674.db2.gz KUYBDEHJRNAQRK-AOOOYVTPSA-N 0 3 329.353 0.916 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000267096841 437288967 /nfs/dbraw/zinc/28/89/67/437288967.db2.gz JRTWXWCPWDAWIC-ZDUSSCGKSA-N 0 3 327.410 0.653 20 5 ECBDHN C[C@@H]1[C@H](N2CCOCC2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000289836278 437444062 /nfs/dbraw/zinc/44/40/62/437444062.db2.gz OWIFBNYXWMNLDH-UKRRQHHQSA-N 0 3 336.392 0.552 20 5 ECBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1N1CCCC1 ZINC000361620195 437675262 /nfs/dbraw/zinc/67/52/62/437675262.db2.gz DZVKVHUZPITYSR-RYUDHWBXSA-N 0 3 339.421 0.980 20 5 ECBDHN CC(C)OCCN1CCC(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000347448574 437892038 /nfs/dbraw/zinc/89/20/38/437892038.db2.gz ZVAAYHIYQKLBFX-UHFFFAOYSA-N 0 3 339.396 0.948 20 5 ECBDHN COc1ccc(CNC(=O)N2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000417181470 438030931 /nfs/dbraw/zinc/03/09/31/438030931.db2.gz HXGAEXPJAYKFPO-UHFFFAOYSA-N 0 3 336.348 0.487 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000358038598 438127273 /nfs/dbraw/zinc/12/72/73/438127273.db2.gz BGIWJINYOQDPMM-MRXNPFEDSA-N 0 3 334.376 0.966 20 5 ECBDHN COc1cc(OCC(=O)NC[C@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000358061763 438135709 /nfs/dbraw/zinc/13/57/09/438135709.db2.gz HCYOXYWQNZOTJH-OAHLLOKOSA-N 0 3 339.348 0.165 20 5 ECBDHN C[C@@H](CN)N(C)C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418817514 438199029 /nfs/dbraw/zinc/19/90/29/438199029.db2.gz SJHGRBZREHUNKC-VIFPVBQESA-N 0 3 342.783 0.713 20 5 ECBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000351486281 438267796 /nfs/dbraw/zinc/26/77/96/438267796.db2.gz MSSZVDZHYNZIEB-QWHCGFSZSA-N 0 3 330.348 0.400 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358672283 438276090 /nfs/dbraw/zinc/27/60/90/438276090.db2.gz VJLHXRLMIXGOKC-HNNXBMFYSA-N 0 3 338.364 0.469 20 5 ECBDHN CC(C)C[C@H](CN)NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418924020 438251229 /nfs/dbraw/zinc/25/12/29/438251229.db2.gz OEMGNGIRHDTYRM-CYBMUJFWSA-N 0 3 336.392 0.743 20 5 ECBDHN CN(C[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713985 438324896 /nfs/dbraw/zinc/32/48/96/438324896.db2.gz XYYCLJIOAJROIV-DOMZBBRYSA-N 0 3 335.408 0.931 20 5 ECBDHN C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1CN ZINC000419047154 438304184 /nfs/dbraw/zinc/30/41/84/438304184.db2.gz ZRMXOJDAGIOWLK-DOMZBBRYSA-N 0 3 348.403 0.839 20 5 ECBDHN C[C@H]1NCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000434665021 438314142 /nfs/dbraw/zinc/31/41/42/438314142.db2.gz MLYMTTRRZSJCQC-VXGBXAGGSA-N 0 3 349.391 0.603 20 5 ECBDHN CN(C[C@@H]1CCCN1C)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000420635849 438416250 /nfs/dbraw/zinc/41/62/50/438416250.db2.gz MMVYGIKUVZISDA-JTQLQIEISA-N 0 3 328.394 0.773 20 5 ECBDHN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[C@H]1N1CCN(C)CC1 ZINC000408032674 438492392 /nfs/dbraw/zinc/49/23/92/438492392.db2.gz AJLJKGPACMEASG-ZIAGYGMSSA-N 0 3 336.440 0.786 20 5 ECBDHN NC(=O)NC(=O)CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440504578 438554563 /nfs/dbraw/zinc/55/45/63/438554563.db2.gz MHYYEZCTZKXETP-JTQLQIEISA-N 0 3 336.352 0.451 20 5 ECBDHN N[C@H]1C[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000576241912 438774536 /nfs/dbraw/zinc/77/45/36/438774536.db2.gz IUCZWXKPUCTKEV-KGLIPLIRSA-N 0 3 332.360 0.298 20 5 ECBDHN COc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864037 438845707 /nfs/dbraw/zinc/84/57/07/438845707.db2.gz XFXAOVGRYUAZIL-QWHCGFSZSA-N 0 3 335.360 0.885 20 5 ECBDHN CN1C[C@H]2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[C@@H]2C1 ZINC000590044073 438898903 /nfs/dbraw/zinc/89/89/03/438898903.db2.gz GNLZRIIGGCAQIT-IAQYHMDHSA-N 0 3 342.359 0.952 20 5 ECBDHN NCCN(CCc1ccccc1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000564995426 438901254 /nfs/dbraw/zinc/90/12/54/438901254.db2.gz SFDGIDXHGWGPOP-UHFFFAOYSA-N 0 3 344.371 0.787 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595990056 438907830 /nfs/dbraw/zinc/90/78/30/438907830.db2.gz NVDSIXFPWWRBIZ-OASPWFOLSA-N 0 3 338.339 0.611 20 5 ECBDHN Cc1c(CC(=O)Nc2nc(N3CCNCC3)n[nH]2)cccc1[N+](=O)[O-] ZINC000564943670 438893111 /nfs/dbraw/zinc/89/31/11/438893111.db2.gz HHDAFMNDFJXCPX-UHFFFAOYSA-N 0 3 345.363 0.612 20 5 ECBDHN CN1C[C@H]2[C@@H](CCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590440743 438924390 /nfs/dbraw/zinc/92/43/90/438924390.db2.gz BJPPUDSHGNPIKW-JSGCOSHPSA-N 0 3 332.360 0.487 20 5 ECBDHN CN1C[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590447262 438925982 /nfs/dbraw/zinc/92/59/82/438925982.db2.gz WZTCRVGMQRHMHX-SWLSCSKDSA-N 0 3 342.359 0.952 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000591904891 439107572 /nfs/dbraw/zinc/10/75/72/439107572.db2.gz KEHXXXFMZWGBQM-GFCCVEGCSA-N 0 3 349.391 0.856 20 5 ECBDHN CN1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](CN)C1 ZINC000567047108 439108720 /nfs/dbraw/zinc/10/87/20/439108720.db2.gz KHFYLMUHVVFMIQ-NSHDSACASA-N 0 3 345.359 0.564 20 5 ECBDHN CS(=O)(=O)C1(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591764029 439083085 /nfs/dbraw/zinc/08/30/85/439083085.db2.gz PYPPLRXAWZMECL-LLVKDONJSA-N 0 3 344.389 0.501 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@](O)(CN(C)C)C2)n1 ZINC000597573162 439129200 /nfs/dbraw/zinc/12/92/00/439129200.db2.gz BWUOMPAZAQOBRU-AWEZNQCLSA-N 0 3 325.369 0.340 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000597655628 439149172 /nfs/dbraw/zinc/14/91/72/439149172.db2.gz ZFNDTMYLCRPDQG-MRVPVSSYSA-N 0 3 333.291 0.849 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000597653498 439149471 /nfs/dbraw/zinc/14/94/71/439149471.db2.gz JZYWCZAFMTUFRC-VIFPVBQESA-N 0 3 325.321 0.018 20 5 ECBDHN CNc1c(C(=O)N2CC(CN3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000597694522 439162212 /nfs/dbraw/zinc/16/22/12/439162212.db2.gz KWJIYSYJYZBBJN-UHFFFAOYSA-N 0 3 347.419 0.956 20 5 ECBDHN CN(CC1CN(C)C1)c1ncnc(N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000603410244 439256587 /nfs/dbraw/zinc/25/65/87/439256587.db2.gz PRUGEUCHWBYUFM-UHFFFAOYSA-N 0 3 349.439 0.380 20 5 ECBDHN CCn1cc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)c([N+](=O)[O-])n1 ZINC000490522731 439271179 /nfs/dbraw/zinc/27/11/79/439271179.db2.gz BZWGVAGZIJEABK-CYBMUJFWSA-N 0 3 343.409 0.528 20 5 ECBDHN CN1CCC(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598895495 439323552 /nfs/dbraw/zinc/32/35/52/439323552.db2.gz XVQYCVPSPQDGKH-UHFFFAOYSA-N 0 3 335.364 0.927 20 5 ECBDHN CN(C)CCN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1=O ZINC000593052722 439334433 /nfs/dbraw/zinc/33/44/33/439334433.db2.gz VDNJSRZPIGGDAU-UHFFFAOYSA-N 0 3 336.392 0.679 20 5 ECBDHN CN(C)CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593182462 439351488 /nfs/dbraw/zinc/35/14/88/439351488.db2.gz OYGPSWPMMKWJPT-UHFFFAOYSA-N 0 3 335.364 0.833 20 5 ECBDHN C[C@H](C(=O)N1CCN(CCN(C)C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000593235862 439354509 /nfs/dbraw/zinc/35/45/09/439354509.db2.gz XSEAXYZRMKYRSC-ZDUSSCGKSA-N 0 3 348.403 0.931 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000593234727 439355803 /nfs/dbraw/zinc/35/58/03/439355803.db2.gz MVXXKXLTZCLGPI-UHFFFAOYSA-N 0 3 338.339 0.580 20 5 ECBDHN CC[C@@H](C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000569980581 439380656 /nfs/dbraw/zinc/38/06/56/439380656.db2.gz GUJHDXIHWYMAMH-AWEZNQCLSA-N 0 3 346.391 1.406 20 5 ECBDHN N[C@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)CCN2C1=O ZINC000582857045 439391494 /nfs/dbraw/zinc/39/14/94/439391494.db2.gz HLDFLOUOFBPAAS-JQWIXIFHSA-N 0 3 327.344 0.891 20 5 ECBDHN COc1ncc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000583688864 439499464 /nfs/dbraw/zinc/49/94/64/439499464.db2.gz HPOMJYZJHSWGLS-LLVKDONJSA-N 0 3 341.755 0.999 20 5 ECBDHN CN1CCN(CC2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 ZINC000584065492 439547520 /nfs/dbraw/zinc/54/75/20/439547520.db2.gz FMWPTNZXNKADAV-UHFFFAOYSA-N 0 3 336.396 0.418 20 5 ECBDHN C[C@H]1CCN(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000594369532 439549229 /nfs/dbraw/zinc/54/92/29/439549229.db2.gz LSVCOQWKTHUQOZ-ZDUSSCGKSA-N 0 3 333.392 0.980 20 5 ECBDHN CCc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000584302982 439576235 /nfs/dbraw/zinc/57/62/35/439576235.db2.gz UITTWRHONBOWCQ-OLZOCXBDSA-N 0 3 332.360 0.541 20 5 ECBDHN COc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939528 439581146 /nfs/dbraw/zinc/58/11/46/439581146.db2.gz WKMPWQQLCZLDAN-CHWSQXEVSA-N 0 3 335.360 0.885 20 5 ECBDHN CC(C)(C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000599938928 439581177 /nfs/dbraw/zinc/58/11/77/439581177.db2.gz STKZNWIKTBAVHA-AAEUAGOBSA-N 0 3 337.380 0.194 20 5 ECBDHN Cn1c(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000609664620 439583497 /nfs/dbraw/zinc/58/34/97/439583497.db2.gz CNXFLSYCTCVVQV-CYBMUJFWSA-N 0 3 335.408 0.785 20 5 ECBDHN N[C@@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CCN2C1=O ZINC000594694433 439592310 /nfs/dbraw/zinc/59/23/10/439592310.db2.gz PZVOXKVQWIURQX-VHSXEESVSA-N 0 3 342.302 0.944 20 5 ECBDHN CCCC(=O)NC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610335925 439610553 /nfs/dbraw/zinc/61/05/53/439610553.db2.gz DUNIWQAPXXLNNN-AWEZNQCLSA-N 0 3 339.396 0.533 20 5 ECBDHN COC(=O)C[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368534 439611958 /nfs/dbraw/zinc/61/19/58/439611958.db2.gz JAHBEBDNEHQXRA-DGCLKSJQSA-N 0 3 326.353 0.570 20 5 ECBDHN Nc1cc(N2CCN(C[C@H]3CCOC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000585707030 439645071 /nfs/dbraw/zinc/64/50/71/439645071.db2.gz IZGBTTNVRBHVQM-GFCCVEGCSA-N 0 3 336.392 0.828 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCn2ccnn2)cc1 ZINC000573438853 439645683 /nfs/dbraw/zinc/64/56/83/439645683.db2.gz JEKWZWUUYYPGNM-UHFFFAOYSA-N 0 3 339.377 0.640 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC12CC(C1)C[NH2+]2 ZINC000595121565 439656402 /nfs/dbraw/zinc/65/64/02/439656402.db2.gz DODDBSONIMZYPV-UHFFFAOYSA-N 0 3 327.362 0.634 20 5 ECBDHN Cc1noc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1[N+](=O)[O-] ZINC000595346356 439708431 /nfs/dbraw/zinc/70/84/31/439708431.db2.gz UYMMEFJKOUWAIO-GFCCVEGCSA-N 0 3 337.380 0.630 20 5 ECBDHN CN1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000340378296 321037706 /nfs/dbraw/zinc/03/77/06/321037706.db2.gz QBGXONAKQIUAOM-OCCSQVGLSA-N 0 3 330.348 0.748 20 5 ECBDHN COc1ccc(C(=O)NCC(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000346140355 321215593 /nfs/dbraw/zinc/21/55/93/321215593.db2.gz PEFUVISZNDQHGQ-SNVBAGLBSA-N 0 3 338.364 0.400 20 5 ECBDHN C[C@@H](CN(C)C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000554617589 322176627 /nfs/dbraw/zinc/17/66/27/322176627.db2.gz ZPHKCXUEGPKAEI-LBPRGKRZSA-N 0 3 336.396 0.772 20 5 ECBDHN CCOC(=O)c1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000564469219 322376632 /nfs/dbraw/zinc/37/66/32/322376632.db2.gz CBEJXXRTKFSBMU-AAEUAGOBSA-N 0 3 348.359 0.520 20 5 ECBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000579613625 322902363 /nfs/dbraw/zinc/90/23/63/322902363.db2.gz WIRXBVUYKQDOGP-WDEREUQCSA-N 0 3 334.332 0.130 20 5 ECBDHN COc1ccc(S(=O)(=O)NC[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000416497388 546208811 /nfs/dbraw/zinc/20/88/11/546208811.db2.gz SVAWYYFJOOXIPF-JTQLQIEISA-N 0 3 329.378 0.833 20 5 ECBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000619254688 546311667 /nfs/dbraw/zinc/31/16/67/546311667.db2.gz PIWAHJJEJBKNJA-OAHLLOKOSA-N 0 3 340.355 0.845 20 5 ECBDHN CC(C)N1CCN(CCCOC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000792085325 578900102 /nfs/dbraw/zinc/90/01/02/578900102.db2.gz MMSIACFHCUFDNJ-UHFFFAOYSA-N 0 3 339.396 0.901 20 5 ECBDHN COC(=O)C[C@@]1(NCCn2cc([N+](=O)[O-])ccc2=O)CCCOC1 ZINC000770709540 579174540 /nfs/dbraw/zinc/17/45/40/579174540.db2.gz PRSLAYFOFXKNEH-HNNXBMFYSA-N 0 3 339.348 0.458 20 5 ECBDHN O=C(COC(=O)c1ccc([N+](=O)[O-])cn1)NC1CCN(C2CC2)CC1 ZINC000761981829 579533897 /nfs/dbraw/zinc/53/38/97/579533897.db2.gz SGWBFOYIUBNOBN-UHFFFAOYSA-N 0 3 348.359 0.890 20 5 ECBDHN CN1C[C@@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907564354 586735945 /nfs/dbraw/zinc/73/59/45/586735945.db2.gz OCXDUXOKBWFUNT-MFKMUULPSA-N 0 3 326.378 0.562 20 5 ECBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2 ZINC000843495492 589072441 /nfs/dbraw/zinc/07/24/41/589072441.db2.gz SVYRPHIOHITSPH-HNNXBMFYSA-N 0 3 334.376 0.892 20 5 ECBDHN CN(C)Cc1ccc(CN(C)C(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000843785652 589079385 /nfs/dbraw/zinc/07/93/85/589079385.db2.gz PZHLASDBZCJTCZ-UHFFFAOYSA-N 0 3 332.364 0.907 20 5 ECBDHN CN(C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000817131839 587334445 /nfs/dbraw/zinc/33/44/45/587334445.db2.gz RWQGWGBCIXEFQN-LLVKDONJSA-N 0 3 328.394 0.773 20 5 ECBDHN O=C(NCCc1nc(N2CCNCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000823330099 587716528 /nfs/dbraw/zinc/71/65/28/587716528.db2.gz JXVAGUKABMDUOL-UHFFFAOYSA-N 0 3 346.347 0.360 20 5 ECBDHN Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1[N+](=O)[O-] ZINC000825648108 587954474 /nfs/dbraw/zinc/95/44/74/587954474.db2.gz LQPPKAYJLMUZSR-AWEZNQCLSA-N 0 3 348.403 0.930 20 5 ECBDHN O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)c(-c2nnn[n-]2)c1 ZINC000826498052 588064231 /nfs/dbraw/zinc/06/42/31/588064231.db2.gz FUNSAHUQKVBPIJ-UHFFFAOYSA-N 0 3 333.352 0.326 20 5 ECBDHN O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)c(-c2nn[n-]n2)c1 ZINC000826498052 588064233 /nfs/dbraw/zinc/06/42/33/588064233.db2.gz FUNSAHUQKVBPIJ-UHFFFAOYSA-N 0 3 333.352 0.326 20 5 ECBDHN O=[N+]([O-])c1cnc(N2CCC([NH2+]C3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826500763 588064322 /nfs/dbraw/zinc/06/43/22/588064322.db2.gz LILBSISKTFDGCI-UHFFFAOYSA-N 0 3 330.352 0.891 20 5 ECBDHN O=[N+]([O-])c1cnc(N2CCC([NH2+]C3CC3)CC2)c(-c2nn[n-]n2)c1 ZINC000826500763 588064325 /nfs/dbraw/zinc/06/43/25/588064325.db2.gz LILBSISKTFDGCI-UHFFFAOYSA-N 0 3 330.352 0.891 20 5 ECBDHN CO[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1O ZINC000832008156 588462620 /nfs/dbraw/zinc/46/26/20/588462620.db2.gz WPTVJUXEZGEIBE-CHWSQXEVSA-N 0 3 327.312 0.754 20 5 ECBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000845630726 589165948 /nfs/dbraw/zinc/16/59/48/589165948.db2.gz UXLMKNIEMIDQLK-UHFFFAOYSA-N 0 3 337.336 0.713 20 5 ECBDHN COC(=O)N(C)CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000853117933 589532454 /nfs/dbraw/zinc/53/24/54/589532454.db2.gz CANPQRGQGDRBNK-GFCCVEGCSA-N 0 3 327.337 0.622 20 5 ECBDHN CCN1CCN(CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000853152284 589533827 /nfs/dbraw/zinc/53/38/27/589533827.db2.gz ZUZQHCOQMWVQQO-UHFFFAOYSA-N 0 3 349.391 0.975 20 5 ECBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000861347677 589841494 /nfs/dbraw/zinc/84/14/94/589841494.db2.gz QQAPPWNCCAXLSE-GXTWGEPZSA-N 0 3 326.353 0.834 20 5 ECBDHN CNc1c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000861714157 589878463 /nfs/dbraw/zinc/87/84/63/589878463.db2.gz IOWANYUGDOTNRV-NEPJUHHUSA-N 0 3 334.376 0.918 20 5 ECBDHN CON(C)C(=O)[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000863588056 590026017 /nfs/dbraw/zinc/02/60/17/590026017.db2.gz ZMDYADFJJRDQKR-WDEREUQCSA-N 0 3 327.337 0.332 20 5 ECBDHN CCN(CCN)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000863748176 590033332 /nfs/dbraw/zinc/03/33/32/590033332.db2.gz AMJFIINCIYNZHJ-UHFFFAOYSA-N 0 3 349.391 0.051 20 5 ECBDHN O=C1COC[C@]2(CNC/C=C\c3ccccc3[N+](=O)[O-])COCCN12 ZINC000865800612 590158722 /nfs/dbraw/zinc/15/87/22/590158722.db2.gz KZGYCFHSKZDVBS-IVZVJUQRSA-N 0 3 347.371 0.825 20 5 ECBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](CO)CN1CCCC1 ZINC000879993282 590359725 /nfs/dbraw/zinc/35/97/25/590359725.db2.gz WIXWKQAMUJIPNT-ZDUSSCGKSA-N 0 3 325.340 0.849 20 5 ECBDHN COC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCOC1 ZINC000886914238 590906056 /nfs/dbraw/zinc/90/60/56/590906056.db2.gz SYLUZZOJIYTNFM-GXTWGEPZSA-N 0 3 325.365 0.788 20 5 ECBDHN C[C@H]1[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCN1C ZINC000925334156 611470671 /nfs/dbraw/zinc/47/06/71/611470671.db2.gz AONHDPALJHRBLU-STQMWFEESA-N 0 3 348.407 0.914 20 5 ECBDHN C[NH2+]CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000237139676 608711129 /nfs/dbraw/zinc/71/11/29/608711129.db2.gz MQHYVQSOXUINRU-UHFFFAOYSA-N 0 3 338.183 0.855 20 5 ECBDHN O=C(N[C@@H]1[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)c1nnc[nH]1 ZINC001026114633 740386467 /nfs/dbraw/zinc/38/64/67/740386467.db2.gz CDFNDZYTJIRZKJ-ITGUQSILSA-N 0 3 328.332 0.573 20 5 ECBDHN O=C(CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCC1 ZINC001000668632 745684258 /nfs/dbraw/zinc/68/42/58/745684258.db2.gz FWVGDUCTLNKDOV-ZIAGYGMSSA-N 0 3 336.392 0.022 20 5 ECBDHN COc1ncc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC001002781389 747776809 /nfs/dbraw/zinc/77/68/09/747776809.db2.gz AJUKDDSPZKKRPD-ZIAGYGMSSA-N 0 3 349.391 0.539 20 5 ECBDHN CCn1nnc(C)c1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002783478 747781257 /nfs/dbraw/zinc/78/12/57/747781257.db2.gz TXHCLGNOSHUTNE-CHWSQXEVSA-N 0 3 336.396 0.352 20 5 ECBDHN CN(Cc1nnc(C2CC2)[nH]1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985426589 747983060 /nfs/dbraw/zinc/98/30/60/747983060.db2.gz SNJXTJCMBBMZFG-CHWSQXEVSA-N 0 3 348.407 0.770 20 5 ECBDHN O=C(NCCNCc1nncn1-c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936435 756758330 /nfs/dbraw/zinc/75/83/30/756758330.db2.gz HONWNEZWANASLW-CHWSQXEVSA-N 0 3 330.348 0.138 20 5 ECBDHN O=C(c1cccc2c[nH]nc21)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011114412 756951340 /nfs/dbraw/zinc/95/13/40/756951340.db2.gz MLKVOJQPXNAZNP-CHWSQXEVSA-N 0 3 343.343 0.513 20 5 ECBDHN CCN(CC)CC(=O)NC/C=C\CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107204934 757657977 /nfs/dbraw/zinc/65/79/77/757657977.db2.gz TXLCLLNCZAMMCQ-WAYWQWQTSA-N 0 3 337.384 0.393 20 5 ECBDHN O=C(CN1CCCC1=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021821730 757954715 /nfs/dbraw/zinc/95/47/15/757954715.db2.gz OVYWHYUXTXYIEY-OKILXGFUSA-N 0 3 346.387 0.954 20 5 ECBDHN Cc1cc(CC(=O)N[C@H]2C[C@@H](NCc3c([N+](=O)[O-])ncn3C)C2)n[nH]1 ZINC001021959048 758097766 /nfs/dbraw/zinc/09/77/66/758097766.db2.gz NCERJENUBMFUIE-PHIMTYICSA-N 0 3 347.379 0.339 20 5 ECBDHN Cc1cc(CC(=O)N[C@H]2C[C@@H](NCc3c([N+](=O)[O-])ncn3C)C2)[nH]n1 ZINC001021959048 758097777 /nfs/dbraw/zinc/09/77/77/758097777.db2.gz NCERJENUBMFUIE-PHIMTYICSA-N 0 3 347.379 0.339 20 5 ECBDHN CC(C)Cn1ncnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064129 758228581 /nfs/dbraw/zinc/22/85/81/758228581.db2.gz XKKXIUVBBORJCJ-YVECIDJPSA-N 0 3 336.396 0.336 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC001127784900 758752510 /nfs/dbraw/zinc/75/25/10/758752510.db2.gz YWIVCRHINBQCQZ-UHFFFAOYSA-N 0 3 348.363 0.462 20 5 ECBDHN O=C(CNC(=O)N1CCCC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001127035976 760130884 /nfs/dbraw/zinc/13/08/84/760130884.db2.gz VYBWOUGRVFJSEU-UHFFFAOYSA-N 0 3 349.391 0.606 20 5 ECBDHN CN1CC(C(=O)NCC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)=NC1=O ZINC001031949731 763745019 /nfs/dbraw/zinc/74/50/19/763745019.db2.gz FQCCQHQARQDFHI-UHFFFAOYSA-N 0 3 345.359 0.896 20 5 ECBDHN NC(=O)C(=O)N1CCC2(C1)CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC001040828794 783523188 /nfs/dbraw/zinc/52/31/88/783523188.db2.gz PXIXXDJYCMLGSL-UHFFFAOYSA-N 0 3 346.387 0.895 20 5 ECBDHN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1CCO ZINC000187272606 236164629 /nfs/dbraw/zinc/16/46/29/236164629.db2.gz XKLUWTZOSHWFQO-JTQLQIEISA-N 0 3 333.348 0.610 20 5 ECBDHN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420435141 296022807 /nfs/dbraw/zinc/02/28/07/296022807.db2.gz GPPUFKGMBUZGBQ-HTQZYQBOSA-N 0 3 331.350 0.380 20 5 ECBDHN O=C(NC[C@H]1CNCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418755908 284001865 /nfs/dbraw/zinc/00/18/65/284001865.db2.gz CEJZCJQAEUKWJS-CYBMUJFWSA-N 0 3 349.391 0.415 20 5 ECBDHN CN(C)CC[N@H+](C)CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356502357 299397402 /nfs/dbraw/zinc/39/74/02/299397402.db2.gz HBIAMDAXNKIUOQ-UHFFFAOYSA-N 0 3 325.369 0.309 20 5 ECBDHN CN(C)CC[N@@H+](C)CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356502357 299397407 /nfs/dbraw/zinc/39/74/07/299397407.db2.gz HBIAMDAXNKIUOQ-UHFFFAOYSA-N 0 3 325.369 0.309 20 5 ECBDHN CN(CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC[NH+](C)C ZINC000356502357 299397410 /nfs/dbraw/zinc/39/74/10/299397410.db2.gz HBIAMDAXNKIUOQ-UHFFFAOYSA-N 0 3 325.369 0.309 20 5 ECBDHN COCCN(C)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111596652 220168178 /nfs/dbraw/zinc/16/81/78/220168178.db2.gz IHADPEOLWMFUAU-UHFFFAOYSA-N 0 3 348.359 0.744 20 5 ECBDHN CCN(C)CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264948934 247076576 /nfs/dbraw/zinc/07/65/76/247076576.db2.gz XQFJJMFEXKUGIN-UHFFFAOYSA-N 0 3 340.405 0.854 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000153204600 224073366 /nfs/dbraw/zinc/07/33/66/224073366.db2.gz JBXZMIBCANHLQC-INIZCTEOSA-N 0 3 348.359 0.479 20 5 ECBDHN CC(COC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)[N+](=O)[O-] ZINC000496352895 255093399 /nfs/dbraw/zinc/09/33/99/255093399.db2.gz VVLHYXRFUNBHDY-JTQLQIEISA-N 0 3 345.352 0.274 20 5 ECBDHN C[C@@H](CN)N(C)C(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419163681 209008568 /nfs/dbraw/zinc/00/85/68/209008568.db2.gz KIEYIONLJSWMBJ-QMMMGPOBSA-N 0 3 328.756 0.670 20 5 ECBDHN CN(C)CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000298197782 296834782 /nfs/dbraw/zinc/83/47/82/296834782.db2.gz OWJSBPPJCNGDEZ-UHFFFAOYSA-N 0 3 326.378 0.464 20 5 ECBDHN C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](C)[NH3+] ZINC000420435381 287043522 /nfs/dbraw/zinc/04/35/22/287043522.db2.gz GPPUFKGMBUZGBQ-JGVFFNPUSA-N 0 3 331.350 0.380 20 5 ECBDHN COC(=O)[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000248957556 165191446 /nfs/dbraw/zinc/19/14/46/165191446.db2.gz ATYVCLHCGGGASB-CYZMBNFOSA-N 0 3 326.353 0.283 20 5 ECBDHN COC[C@@]1(C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000261890018 165259099 /nfs/dbraw/zinc/25/90/99/165259099.db2.gz NQDRGZRXEZYNDL-AWEZNQCLSA-N 0 3 343.405 0.783 20 5 ECBDHN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[C@@H](N3CCCC3)C2)c1 ZINC000301167173 296882779 /nfs/dbraw/zinc/88/27/79/296882779.db2.gz VKJGVDAGQVBCJT-LLVKDONJSA-N 0 3 340.405 0.917 20 5 ECBDHN CNc1nccc(C(=O)NC[C@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000516978171 421221057 /nfs/dbraw/zinc/22/10/57/421221057.db2.gz AEFKMEJMBYCCGS-HNNXBMFYSA-N 0 3 335.364 0.218 20 5 ECBDHN CS[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1N(C)C ZINC000270451213 263243028 /nfs/dbraw/zinc/24/30/28/263243028.db2.gz JJEPWEHZMIYXPI-RYUDHWBXSA-N 0 3 341.437 0.994 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000283531209 264126994 /nfs/dbraw/zinc/12/69/94/264126994.db2.gz MFXAEJCDODAOIW-VIFPVBQESA-N 0 3 329.334 0.381 20 5 ECBDHN CCN(CC)CC(=O)N1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000297265587 265134880 /nfs/dbraw/zinc/13/48/80/265134880.db2.gz WGZVCVAQRNETNI-UHFFFAOYSA-N 0 3 336.396 0.684 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)N(C)C ZINC000298599369 265265804 /nfs/dbraw/zinc/26/58/04/265265804.db2.gz FBNZJAKYLOJUEX-UHFFFAOYSA-N 0 3 338.364 0.998 20 5 ECBDHN CN1CC[C@H]2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@@H]21 ZINC000371702651 277177912 /nfs/dbraw/zinc/17/79/12/277177912.db2.gz ZCBQZXSVQDCCMG-GWCFXTLKSA-N 0 3 340.405 0.773 20 5 ECBDHN CCN1CC[C@@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000339389271 297345097 /nfs/dbraw/zinc/34/50/97/297345097.db2.gz FGDBJHSVUSLNGR-CVEARBPZSA-N 0 3 348.403 0.989 20 5 ECBDHN CN(C)CCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000346431620 298278143 /nfs/dbraw/zinc/27/81/43/298278143.db2.gz XODKXZKHXIAJML-UHFFFAOYSA-N 0 3 337.380 0.453 20 5 ECBDHN CN(C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCSC1 ZINC000351111526 298751272 /nfs/dbraw/zinc/75/12/72/298751272.db2.gz FGJMEHRXKNKVNX-ZDUSSCGKSA-N 0 3 325.394 0.739 20 5 ECBDHN CC1(C)CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1 ZINC000362878712 300229934 /nfs/dbraw/zinc/22/99/34/300229934.db2.gz TVUXUSCBVRCVQG-UHFFFAOYSA-N 0 3 346.343 0.401 20 5 ECBDHN CCN1CCN(CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000112918405 436634188 /nfs/dbraw/zinc/63/41/88/436634188.db2.gz YYOMHPBCGVTUMA-UHFFFAOYSA-N 0 3 346.391 0.838 20 5 ECBDHN COc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000061523882 436637404 /nfs/dbraw/zinc/63/74/04/436637404.db2.gz YEBYWVYMSGPQNA-UHFFFAOYSA-N 0 3 336.392 0.971 20 5 ECBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(c2ccncc2)CC1 ZINC000065769699 436672313 /nfs/dbraw/zinc/67/23/13/436672313.db2.gz UJCNYALPCGMMLE-UHFFFAOYSA-N 0 3 330.348 0.925 20 5 ECBDHN NC(=O)[C@H]1CCCN1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000131562837 436855723 /nfs/dbraw/zinc/85/57/23/436855723.db2.gz NEQUTNPJHPVFRT-CYBMUJFWSA-N 0 3 336.396 0.205 20 5 ECBDHN CC(C)C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)C(=O)NCCN(C)C ZINC000129490906 436827264 /nfs/dbraw/zinc/82/72/64/436827264.db2.gz NNNJXRHIMLGQOQ-JTQLQIEISA-N 0 3 339.400 0.471 20 5 ECBDHN CN1CCC[C@]2(CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000293857562 436915285 /nfs/dbraw/zinc/91/52/85/436915285.db2.gz DLZOKUPYXMONBW-INIZCTEOSA-N 0 3 334.376 0.701 20 5 ECBDHN COc1ccc(NC(=O)CCN(CCO)CCO)c([N+](=O)[O-])c1 ZINC000298254425 437034572 /nfs/dbraw/zinc/03/45/72/437034572.db2.gz UOUXRGBGVHSLBP-UHFFFAOYSA-N 0 3 327.337 0.219 20 5 ECBDHN Cn1nccc1[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331414553 437092067 /nfs/dbraw/zinc/09/20/67/437092067.db2.gz BZKDVMPAHYSMIM-TZMCWYRMSA-N 0 3 334.380 0.765 20 5 ECBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000262767875 303393564 /nfs/dbraw/zinc/39/35/64/303393564.db2.gz UTJLGYNHQWROGV-SECBINFHSA-N 0 3 343.361 0.382 20 5 ECBDHN O=C([C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCCC1 ZINC000287414732 437187786 /nfs/dbraw/zinc/18/77/86/437187786.db2.gz ORPYRSGMYGVSPZ-CYBMUJFWSA-N 0 3 334.376 0.701 20 5 ECBDHN CN1CCO[C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000331867585 437170767 /nfs/dbraw/zinc/17/07/67/437170767.db2.gz CBFJAXFTPZKSCX-HUUCEWRRSA-N 0 3 334.376 0.938 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291790493 437626425 /nfs/dbraw/zinc/62/64/25/437626425.db2.gz MRMVRTLSROKOLY-DLBZAZTESA-N 0 3 346.387 0.788 20 5 ECBDHN COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356457670 437768539 /nfs/dbraw/zinc/76/85/39/437768539.db2.gz KFZFMFWNCXJXIU-UHFFFAOYSA-N 0 3 339.396 0.948 20 5 ECBDHN CN1CCC[C@@]2(CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)C1=O ZINC000370413622 437779804 /nfs/dbraw/zinc/77/98/04/437779804.db2.gz OIXFLMHSUSBOFU-INIZCTEOSA-N 0 3 334.376 0.701 20 5 ECBDHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423730449 437815992 /nfs/dbraw/zinc/81/59/92/437815992.db2.gz YANHFNZXJDERQD-GFCCVEGCSA-N 0 3 349.391 0.049 20 5 ECBDHN O=C(NC[C@H]1CNCCO1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000423990025 437869383 /nfs/dbraw/zinc/86/93/83/437869383.db2.gz JHVVNVAXDYYFJN-LLVKDONJSA-N 0 3 331.332 0.499 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@]2(CO)CCCc3ccccc32)c1 ZINC000374149545 438190603 /nfs/dbraw/zinc/19/06/03/438190603.db2.gz SYPGZCBOZIVKLX-NVXWUHKLSA-N 0 3 346.387 0.966 20 5 ECBDHN N[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccc(F)cc1 ZINC000368422760 438330150 /nfs/dbraw/zinc/33/01/50/438330150.db2.gz RWSOEHOBHHTHSP-ZIAGYGMSSA-N 0 3 333.323 0.884 20 5 ECBDHN COC(=O)[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000378006354 438337225 /nfs/dbraw/zinc/33/72/25/438337225.db2.gz VCRGHOQIBUBDCQ-NWDGAFQWSA-N 0 3 326.353 0.283 20 5 ECBDHN COc1ccc(NC(=O)CCN(C)[C@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352791304 438476355 /nfs/dbraw/zinc/47/63/55/438476355.db2.gz HQZYLFYKNAEAST-KBPBESRZSA-N 0 3 339.348 0.624 20 5 ECBDHN COc1c(C(=O)NCCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000353656142 438520119 /nfs/dbraw/zinc/52/01/19/438520119.db2.gz KLFJULQZULGESV-UHFFFAOYSA-N 0 3 336.392 0.971 20 5 ECBDHN CN(C)S(=O)(=O)CCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353870105 438546141 /nfs/dbraw/zinc/54/61/41/438546141.db2.gz VRGHNCFGGJAXLB-VXGBXAGGSA-N 0 3 345.425 0.756 20 5 ECBDHN Cc1ccsc1[C@@H](CO)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494636854 438701367 /nfs/dbraw/zinc/70/13/67/438701367.db2.gz MMAVKYBYWQOBDT-NWDGAFQWSA-N 0 3 326.378 0.845 20 5 ECBDHN CN(CC(=O)NC[C@@]1(O)CN2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000554866696 438769300 /nfs/dbraw/zinc/76/93/00/438769300.db2.gz JGHJYEYIBADLPO-QGZVFWFLSA-N 0 3 348.403 0.604 20 5 ECBDHN CC(C)OCCN1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000555733512 438775722 /nfs/dbraw/zinc/77/57/22/438775722.db2.gz GOCVRZDZDJJIAW-UHFFFAOYSA-N 0 3 325.369 0.937 20 5 ECBDHN Nc1c(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc(F)cc1[N+](=O)[O-] ZINC000561692904 438846367 /nfs/dbraw/zinc/84/63/67/438846367.db2.gz MRJUYTNKPKZIEM-OAHLLOKOSA-N 0 3 338.339 0.503 20 5 ECBDHN COC[C@@H](O)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516182124 438896790 /nfs/dbraw/zinc/89/67/90/438896790.db2.gz JNGQETRJJMXCEQ-LBPRGKRZSA-N 0 3 332.378 0.356 20 5 ECBDHN O=C1CCCN1C[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595833127 438868560 /nfs/dbraw/zinc/86/85/60/438868560.db2.gz RZQGDUWHLVFGTI-GXTWGEPZSA-N 0 3 337.380 0.097 20 5 ECBDHN CNc1nc(C(=O)N(CCN(C)C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000515513088 438871884 /nfs/dbraw/zinc/87/18/84/438871884.db2.gz OEVYVCMDUITGJI-UHFFFAOYSA-N 0 3 338.412 0.597 20 5 ECBDHN CN1CCC[C@H](N2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC2)C1 ZINC000589573427 438879222 /nfs/dbraw/zinc/87/92/22/438879222.db2.gz KPNPGJJBAYAWFN-LBPRGKRZSA-N 0 3 348.407 0.305 20 5 ECBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1CC(C)(C)O ZINC000596223467 438943730 /nfs/dbraw/zinc/94/37/30/438943730.db2.gz QZNDLOSXSRBESQ-LLVKDONJSA-N 0 3 336.392 0.975 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000590548418 438931166 /nfs/dbraw/zinc/93/11/66/438931166.db2.gz CZDAXCGGNDMBPC-GFCCVEGCSA-N 0 3 333.348 0.433 20 5 ECBDHN O=C(CNC[C@H]1CCCO1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000580422353 439088789 /nfs/dbraw/zinc/08/87/89/439088789.db2.gz AFYYEKBNTRVJCT-CYBMUJFWSA-N 0 3 337.380 0.723 20 5 ECBDHN C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000602485780 439098469 /nfs/dbraw/zinc/09/84/69/439098469.db2.gz ZKVKOHCKOBIWBB-ZFWWWQNUSA-N 0 3 336.440 0.786 20 5 ECBDHN Cc1c(NC(=O)CCN2C[C@H](O)[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000580614867 439110777 /nfs/dbraw/zinc/11/07/77/439110777.db2.gz LICWFAJXUUASMW-GJZGRUSLSA-N 0 3 336.392 0.839 20 5 ECBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000591756694 439080897 /nfs/dbraw/zinc/08/08/97/439080897.db2.gz QBZGWZODDIEGAW-NOLJZWGESA-N 0 3 339.392 0.643 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](O)[C@@H]2CCOC2)cc1 ZINC000592431077 439227275 /nfs/dbraw/zinc/22/72/75/439227275.db2.gz LCZIUNLWOGWNFB-RISCZKNCSA-N 0 3 344.389 0.356 20 5 ECBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCNCC1(C)C ZINC000592472676 439236587 /nfs/dbraw/zinc/23/65/87/439236587.db2.gz ZKZKZMXQUGZIRI-LLVKDONJSA-N 0 3 334.376 0.924 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000592878889 439295126 /nfs/dbraw/zinc/29/51/26/439295126.db2.gz ICNLEUDMAUBZJR-VIFPVBQESA-N 0 3 326.378 0.848 20 5 ECBDHN C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598750118 439311013 /nfs/dbraw/zinc/31/10/13/439311013.db2.gz RTOQDYVMBYVLTI-NSHDSACASA-N 0 3 339.396 0.697 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-]CCOCCC[NH3+])c([N+](=O)[O-])c1 ZINC000599110495 439362024 /nfs/dbraw/zinc/36/20/24/439362024.db2.gz URDXUTFXNAKKIM-UHFFFAOYSA-N 0 3 333.366 0.247 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582677996 439368017 /nfs/dbraw/zinc/36/80/17/439368017.db2.gz ZDHCQCSQIRODEF-STQMWFEESA-N 0 3 347.375 0.086 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582677994 439368142 /nfs/dbraw/zinc/36/81/42/439368142.db2.gz ZDHCQCSQIRODEF-OLZOCXBDSA-N 0 3 347.375 0.086 20 5 ECBDHN C[C@@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CCN(Cc2ccccc2)C1 ZINC000593342149 439369903 /nfs/dbraw/zinc/36/99/03/439369903.db2.gz KTEIGWYNJHGYET-MRXNPFEDSA-N 0 3 344.375 0.967 20 5 ECBDHN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000594359528 439547167 /nfs/dbraw/zinc/54/71/67/439547167.db2.gz NBFLIPTVSIJCOY-SECBINFHSA-N 0 3 326.328 0.530 20 5 ECBDHN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000594359543 439547309 /nfs/dbraw/zinc/54/73/09/439547309.db2.gz NBFLIPTVSIJCOY-VIFPVBQESA-N 0 3 326.328 0.530 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N[C@H](CN)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594451371 439562668 /nfs/dbraw/zinc/56/26/68/439562668.db2.gz SKYNVJYEEGWNLI-SNVBAGLBSA-N 0 3 348.281 0.639 20 5 ECBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939522 439580431 /nfs/dbraw/zinc/58/04/31/439580431.db2.gz WGZOUHXANGXFSU-QWRGUYRKSA-N 0 3 337.380 0.722 20 5 ECBDHN Cc1n[nH]c(C(=O)N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007441 439593017 /nfs/dbraw/zinc/59/30/17/439593017.db2.gz RHVYCJUQAGJFTO-UHFFFAOYSA-N 0 3 337.380 0.953 20 5 ECBDHN Cc1[nH]nc(C(=O)N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007441 439593019 /nfs/dbraw/zinc/59/30/19/439593019.db2.gz RHVYCJUQAGJFTO-UHFFFAOYSA-N 0 3 337.380 0.953 20 5 ECBDHN Cc1cc(C)c(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000572648841 439599331 /nfs/dbraw/zinc/59/93/31/439599331.db2.gz RVFVLMRZRSMBFB-LBPRGKRZSA-N 0 3 342.421 0.475 20 5 ECBDHN COc1ccc(S(=O)(=O)[N-]CC23CC(C2)C[NH2+]3)c([N+](=O)[O-])c1 ZINC000595127803 439658182 /nfs/dbraw/zinc/65/81/82/439658182.db2.gz OXEDEWOYYIUFRQ-UHFFFAOYSA-N 0 3 327.362 0.634 20 5 ECBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000574340548 439700116 /nfs/dbraw/zinc/70/01/16/439700116.db2.gz JJWXMRBNHBAGPX-RYUDHWBXSA-N 0 3 347.375 0.987 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000574033031 439680325 /nfs/dbraw/zinc/68/03/25/439680325.db2.gz DFHZKMPPRYODDY-DGCLKSJQSA-N 0 3 344.389 0.501 20 5 ECBDHN COc1cc(C[NH2+]CCC2CS(=O)(=O)C2)c([N+](=O)[O-])cc1[O-] ZINC000615728197 439805599 /nfs/dbraw/zinc/80/55/99/439805599.db2.gz RXEPRJUOFBEVGA-UHFFFAOYSA-N 0 3 330.362 0.833 20 5 ECBDHN N[C@H](CC(F)F)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345834548 321202542 /nfs/dbraw/zinc/20/25/42/321202542.db2.gz ZRUQPRSTRRWJRP-WCBMZHEXSA-N 0 3 329.307 0.985 20 5 ECBDHN C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000560563780 322247057 /nfs/dbraw/zinc/24/70/57/322247057.db2.gz IDEKMFIKQADKMB-LLVKDONJSA-N 0 3 338.364 0.156 20 5 ECBDHN C[C@H](CS(C)(=O)=O)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564854819 322400317 /nfs/dbraw/zinc/40/03/17/322400317.db2.gz BREFELBTZRXTEE-PWSUYJOCSA-N 0 3 332.378 0.357 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000568424761 322628049 /nfs/dbraw/zinc/62/80/49/322628049.db2.gz VLZAMJGIVVXRDB-MRXNPFEDSA-N 0 3 335.360 0.790 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCCS(=O)(=O)C2)c1 ZINC000574033030 322772145 /nfs/dbraw/zinc/77/21/45/322772145.db2.gz DFHZKMPPRYODDY-AAEUAGOBSA-N 0 3 344.389 0.501 20 5 ECBDHN CCN(C)C(=O)[C@@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578127826 322855576 /nfs/dbraw/zinc/85/55/76/322855576.db2.gz RCVIQCSQCSUIJF-NEPJUHHUSA-N 0 3 325.365 0.791 20 5 ECBDHN O=C1CCN1c1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000579228300 322890219 /nfs/dbraw/zinc/89/02/19/322890219.db2.gz HLBXHWWULABPKE-OAHLLOKOSA-N 0 3 345.359 0.679 20 5 ECBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000579613623 322902359 /nfs/dbraw/zinc/90/23/59/322902359.db2.gz WIRXBVUYKQDOGP-MNOVXSKESA-N 0 3 334.332 0.130 20 5 ECBDHN O=[N+]([O-])c1cnc(NC[C@H](O)C[NH+]2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738368099 579624470 /nfs/dbraw/zinc/62/44/70/579624470.db2.gz DZVTZSYKKGHYBL-NSHDSACASA-N 0 3 348.367 0.429 20 5 ECBDHN O=[N+]([O-])c1cnc(NC[C@H](O)C[NH+]2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738368099 579624471 /nfs/dbraw/zinc/62/44/71/579624471.db2.gz DZVTZSYKKGHYBL-NSHDSACASA-N 0 3 348.367 0.429 20 5 ECBDHN CN1CCC2(CCN2c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000897133928 586285600 /nfs/dbraw/zinc/28/56/00/586285600.db2.gz SOQLGSGRDJZBGK-UHFFFAOYSA-N 0 3 348.407 0.896 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H](O)c2c(F)cccc2F)c1 ZINC000843086910 589050095 /nfs/dbraw/zinc/05/00/95/589050095.db2.gz JPDWVGIIILOERC-GXFFZTMASA-N 0 3 342.302 0.754 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000843114697 589051517 /nfs/dbraw/zinc/05/15/17/589051517.db2.gz FRNAUPHNBFLZMV-KYOSRNDESA-N 0 3 334.332 0.236 20 5 ECBDHN NCC1(c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000843224037 589054715 /nfs/dbraw/zinc/05/47/15/589054715.db2.gz JBQHJTDYWNKUPD-UHFFFAOYSA-N 0 3 331.332 0.827 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1CN(C)CCN(C)C1 ZINC000906351951 586943518 /nfs/dbraw/zinc/94/35/18/586943518.db2.gz SJEJAMAGYHYMGS-UHFFFAOYSA-N 0 3 336.392 0.713 20 5 ECBDHN CC(COC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[N+](=O)[O-] ZINC000813106791 587248536 /nfs/dbraw/zinc/24/85/36/587248536.db2.gz HVKZGFUEJVJNJN-MGPLVRAMSA-N 0 3 347.327 0.588 20 5 ECBDHN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105742 587248588 /nfs/dbraw/zinc/24/85/88/587248588.db2.gz TYLJUTZHWANOCS-ZJUUUORDSA-N 0 3 346.361 0.570 20 5 ECBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822984528 587694414 /nfs/dbraw/zinc/69/44/14/587694414.db2.gz IJFCICXCKIBKIH-CYBMUJFWSA-N 0 3 342.440 0.881 20 5 ECBDHN COc1ccc(CN2C(C)C(=O)N(C)S2(=O)=O)cc1[N+](=O)[O-] ZINC000829559586 588329622 /nfs/dbraw/zinc/32/96/22/588329622.db2.gz HLRYHJQXUDYROM-QMMMGPOBSA-N 0 3 329.334 0.511 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1=O ZINC000846356680 589198254 /nfs/dbraw/zinc/19/82/54/589198254.db2.gz JXHCXCYBUARJRL-UHFFFAOYSA-N 0 3 335.364 0.023 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848307331 589287792 /nfs/dbraw/zinc/28/77/92/589287792.db2.gz HCYLDZVREMSBFG-WDEREUQCSA-N 0 3 339.323 0.390 20 5 ECBDHN C[NH+](C)C[C@@](C)(O)C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848585543 589300976 /nfs/dbraw/zinc/30/09/76/589300976.db2.gz MQPCEZNHFIXLJL-ZDUSSCGKSA-N 0 3 347.318 0.995 20 5 ECBDHN COCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853063894 589530769 /nfs/dbraw/zinc/53/07/69/589530769.db2.gz DANHEEDAISEYCV-MRVPVSSYSA-N 0 3 337.174 0.493 20 5 ECBDHN COC(=O)N(C)CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000853117934 589532391 /nfs/dbraw/zinc/53/23/91/589532391.db2.gz CANPQRGQGDRBNK-LBPRGKRZSA-N 0 3 327.337 0.622 20 5 ECBDHN COCC[NH2+]CC[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765215 589704147 /nfs/dbraw/zinc/70/41/47/589704147.db2.gz BVMOCWYPBWXTNI-UHFFFAOYSA-N 0 3 333.291 0.919 20 5 ECBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000861347683 589841201 /nfs/dbraw/zinc/84/12/01/589841201.db2.gz QQAPPWNCCAXLSE-TZMCWYRMSA-N 0 3 326.353 0.834 20 5 ECBDHN CC(=O)N(C)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000863573239 590024616 /nfs/dbraw/zinc/02/46/16/590024616.db2.gz MGUXDEGGRVVULH-INIZCTEOSA-N 0 3 347.375 0.925 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882102730 590516934 /nfs/dbraw/zinc/51/69/34/590516934.db2.gz QWSKZPJHMHLKMK-GFCCVEGCSA-N 0 3 337.355 0.872 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CCCN1CCN(C)CC1 ZINC000932471914 608625660 /nfs/dbraw/zinc/62/56/60/608625660.db2.gz ACWPLFMUKPFEKX-UHFFFAOYSA-N 0 3 338.412 0.196 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H]2OCCN[C@@H]2C1 ZINC000923384382 611235821 /nfs/dbraw/zinc/23/58/21/611235821.db2.gz GNYSLASIOMHCJJ-UMVBOHGHSA-N 0 3 337.376 0.397 20 5 ECBDHN O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923575184 611267571 /nfs/dbraw/zinc/26/75/71/611267571.db2.gz LRMWLWANNRNHBK-UHFFFAOYSA-N 0 3 326.378 0.018 20 5 ECBDHN O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)N1CCNCC1 ZINC000923629587 611332413 /nfs/dbraw/zinc/33/24/13/611332413.db2.gz CZWVXUWCYWFDCQ-UHFFFAOYSA-N 0 3 340.405 0.709 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000997761090 743797222 /nfs/dbraw/zinc/79/72/22/743797222.db2.gz IPDVOMYCXCYFRG-UHFFFAOYSA-N 0 3 347.379 0.693 20 5 ECBDHN CN(Cc1cn(C)nn1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964563 750114868 /nfs/dbraw/zinc/11/48/68/750114868.db2.gz OSOPLEVHBIUZSO-ZIAGYGMSSA-N 0 3 336.396 0.151 20 5 ECBDHN CNC(=O)C1(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC001168269587 752401841 /nfs/dbraw/zinc/40/18/41/752401841.db2.gz SIXOJRUDGYABPA-UHFFFAOYSA-N 0 3 340.405 0.778 20 5 ECBDHN CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001101938726 753544933 /nfs/dbraw/zinc/54/49/33/753544933.db2.gz COEUROIAVOHRBW-UHFFFAOYSA-N 0 3 325.369 0.908 20 5 ECBDHN Cc1nc(C(=O)N2CCC(NCc3c([N+](=O)[O-])ncn3C)CC2)c[nH]1 ZINC000990287547 754924778 /nfs/dbraw/zinc/92/47/78/754924778.db2.gz NKTKHZRRCOLZCJ-UHFFFAOYSA-N 0 3 347.379 0.754 20 5 ECBDHN O=C(CN1CCCC1)NC/C=C/CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001107201531 757546972 /nfs/dbraw/zinc/54/69/72/757546972.db2.gz SXMOGICISZAGAG-OWOJBTEDSA-N 0 3 335.364 0.876 20 5 ECBDHN O=C(CN1CCOCC1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021980561 758124483 /nfs/dbraw/zinc/12/44/83/758124483.db2.gz XWEZCFMTRMMXKM-GASCZTMLSA-N 0 3 348.403 0.664 20 5 ECBDHN Cc1cc(CN2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ncn1 ZINC001045437032 775609592 /nfs/dbraw/zinc/60/95/92/775609592.db2.gz AQACIOGWTQGFJQ-ZIAGYGMSSA-N 0 3 333.392 0.921 20 5 ECBDHN CC(C)(C(=O)N[C@@H](CO)CN1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000413806128 208353958 /nfs/dbraw/zinc/35/39/58/208353958.db2.gz FACDEPIAWUSAHK-GFCCVEGCSA-N 0 3 339.396 0.489 20 5 ECBDHN C[C@H](CN)N(C)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419352411 209067541 /nfs/dbraw/zinc/06/75/41/209067541.db2.gz PQTUFJLNXUCMEM-GFCCVEGCSA-N 0 3 336.392 0.839 20 5 ECBDHN CCC[NH2+]CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262748202 165381885 /nfs/dbraw/zinc/38/18/85/165381885.db2.gz FIVQFIWVWLOHKL-UHFFFAOYSA-N 0 3 345.377 0.644 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1N(C)C ZINC000270960055 263289307 /nfs/dbraw/zinc/28/93/07/263289307.db2.gz RCZMJSQUVLIXPV-VHSXEESVSA-N 0 3 327.410 0.754 20 5 ECBDHN C[C@H]1C[C@H](N2CCOCC2)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286093480 264369278 /nfs/dbraw/zinc/36/92/78/264369278.db2.gz SXMPAEZYRGTOAN-ZFWWWQNUSA-N 0 3 336.392 0.552 20 5 ECBDHN CN(C)CCn1ccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000354366737 437598583 /nfs/dbraw/zinc/59/85/83/437598583.db2.gz PNQLJFMWFNNXFI-UHFFFAOYSA-N 0 3 346.347 0.930 20 5 ECBDHN CCn1cc(S(=O)(=O)N(C)CCCN2CCCC2)c([N+](=O)[O-])n1 ZINC000350221454 298707252 /nfs/dbraw/zinc/70/72/52/298707252.db2.gz HRUPSHMJFOZWCD-UHFFFAOYSA-N 0 3 345.425 0.918 20 5 ECBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516938123 301687316 /nfs/dbraw/zinc/68/73/16/301687316.db2.gz JVQQUCUWKKVCEJ-AAEUAGOBSA-N 0 3 332.360 0.596 20 5 ECBDHN CC(C)(C)N1C[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000521613703 301790746 /nfs/dbraw/zinc/79/07/46/301790746.db2.gz YAKDJRPUEUWLJC-JQWIXIFHSA-N 0 3 325.369 0.141 20 5 ECBDHN CCN1CCN(CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000112918120 436634249 /nfs/dbraw/zinc/63/42/49/436634249.db2.gz RQNAKTMWYVQPEP-UHFFFAOYSA-N 0 3 335.408 0.760 20 5 ECBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C1CC1 ZINC000058858138 436628981 /nfs/dbraw/zinc/62/89/81/436628981.db2.gz ZQNMVAMWVFKBNE-NSHDSACASA-N 0 3 334.376 0.924 20 5 ECBDHN COCCN(C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067151814 436706055 /nfs/dbraw/zinc/70/60/55/436706055.db2.gz BCSHFLXYUBZMDL-UHFFFAOYSA-N 0 3 348.363 0.484 20 5 ECBDHN CN1CCC[C@@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000139571653 436666646 /nfs/dbraw/zinc/66/66/46/436666646.db2.gz WDHQTTMLVAKVDJ-CYBMUJFWSA-N 0 3 348.407 0.916 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(Cn3ccnn3)CC2)c1 ZINC000156139879 436810217 /nfs/dbraw/zinc/81/02/17/436810217.db2.gz TXFYPSJBNAFLDX-CQSZACIVSA-N 0 3 335.368 0.156 20 5 ECBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2c1cnn2C ZINC000135560091 436919093 /nfs/dbraw/zinc/91/90/93/436919093.db2.gz NTLHIWBYVTUBJW-JSGCOSHPSA-N 0 3 334.380 0.895 20 5 ECBDHN CS[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275087436 436922157 /nfs/dbraw/zinc/92/21/57/436922157.db2.gz HAASFSAOHHIJBZ-QWRGUYRKSA-N 0 3 325.394 0.970 20 5 ECBDHN O=C(C[C@H]1CNCCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000261598346 436879690 /nfs/dbraw/zinc/87/96/90/436879690.db2.gz AMSNYOBTGLOHLU-HNNXBMFYSA-N 0 3 334.376 0.622 20 5 ECBDHN COCCCN(CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275398172 436964028 /nfs/dbraw/zinc/96/40/28/436964028.db2.gz DNVNRYBPAUFLJU-AWEZNQCLSA-N 0 3 328.365 0.665 20 5 ECBDHN Cn1nccc1[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331414552 437091839 /nfs/dbraw/zinc/09/18/39/437091839.db2.gz BZKDVMPAHYSMIM-OCCSQVGLSA-N 0 3 334.380 0.765 20 5 ECBDHN C[C@H]1CN(CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000176137550 437132316 /nfs/dbraw/zinc/13/23/16/437132316.db2.gz NOBKENHNJFGCEV-STQMWFEESA-N 0 3 339.396 0.797 20 5 ECBDHN CCN1CCN([C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178199381 437207465 /nfs/dbraw/zinc/20/74/65/437207465.db2.gz XCCZIKHDMDNQOM-GFCCVEGCSA-N 0 3 335.408 0.933 20 5 ECBDHN Cc1c(C(=O)NC[C@@H](C)N(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266790835 437243929 /nfs/dbraw/zinc/24/39/29/437243929.db2.gz FARQOGHOYHRXFD-MRVPVSSYSA-N 0 3 344.393 0.231 20 5 ECBDHN CC(C)[C@H](NCCn1ccc([N+](=O)[O-])n1)C(=O)N1CCOCC1 ZINC000180053939 437278387 /nfs/dbraw/zinc/27/83/87/437278387.db2.gz VFTPCFPTODZFNR-ZDUSSCGKSA-N 0 3 325.369 0.264 20 5 ECBDHN O=C1C[C@]2(CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278858124 437350460 /nfs/dbraw/zinc/35/04/60/437350460.db2.gz KYUYBUJNUOAWDR-CZUORRHYSA-N 0 3 335.360 0.547 20 5 ECBDHN C[C@@H]1CN(CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000268028131 437356381 /nfs/dbraw/zinc/35/63/81/437356381.db2.gz UDGVDASFIUTDCM-CHWSQXEVSA-N 0 3 339.396 0.797 20 5 ECBDHN O=C1NC(=O)[C@@]2(CCCN(CCOc3ccccc3[N+](=O)[O-])C2)N1 ZINC000279068531 437369234 /nfs/dbraw/zinc/36/92/34/437369234.db2.gz MKFSSAHGMBBAIC-HNNXBMFYSA-N 0 3 334.332 0.648 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184346591 437401165 /nfs/dbraw/zinc/40/11/65/437401165.db2.gz SFQDODCRXWKNFZ-LBPRGKRZSA-N 0 3 338.412 0.242 20 5 ECBDHN CS[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000290941561 437543688 /nfs/dbraw/zinc/54/36/88/437543688.db2.gz LLXQMMUBYLUVFX-VHSXEESVSA-N 0 3 325.394 0.571 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000360318860 437582368 /nfs/dbraw/zinc/58/23/68/437582368.db2.gz NZUVJIMAVVMQIQ-ZDUSSCGKSA-N 0 3 346.387 0.986 20 5 ECBDHN O=C(CN1CCCC1)N1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192450466 437677849 /nfs/dbraw/zinc/67/78/49/437677849.db2.gz JCAKYTZPEXGQFK-UHFFFAOYSA-N 0 3 325.394 0.796 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082358 437769114 /nfs/dbraw/zinc/76/91/14/437769114.db2.gz TVIKBRDUFLANPY-VXGBXAGGSA-N 0 3 337.380 0.552 20 5 ECBDHN C[C@H](CO)N1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000364925589 437827910 /nfs/dbraw/zinc/82/79/10/437827910.db2.gz ZYNUFLASFAJZGI-CYBMUJFWSA-N 0 3 337.376 0.889 20 5 ECBDHN Cn1cc([C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000424282691 437921410 /nfs/dbraw/zinc/92/14/10/437921410.db2.gz ABUFNGUKQHUUJD-QWHCGFSZSA-N 0 3 344.375 0.694 20 5 ECBDHN Cn1cc([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@H]2N)cn1 ZINC000424224716 437907245 /nfs/dbraw/zinc/90/72/45/437907245.db2.gz KVBYNSKHNNAXOU-NWDGAFQWSA-N 0 3 330.348 0.477 20 5 ECBDHN COc1cc(CNC[C@]2(O)CCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000358164962 438173034 /nfs/dbraw/zinc/17/30/34/438173034.db2.gz NTRSQMUZVPIWMO-OAHLLOKOSA-N 0 3 325.365 0.768 20 5 ECBDHN CCCC[C@H](CN)NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418863998 438224469 /nfs/dbraw/zinc/22/44/69/438224469.db2.gz HVUKFTSTKBGGSN-CYBMUJFWSA-N 0 3 336.392 0.887 20 5 ECBDHN C[C@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CCCO1 ZINC000432561480 438203852 /nfs/dbraw/zinc/20/38/52/438203852.db2.gz XVFAKTBJCVXHSA-NSHDSACASA-N 0 3 337.380 0.803 20 5 ECBDHN CN(C[C@H]1CCCN1C)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000420638411 438417294 /nfs/dbraw/zinc/41/72/94/438417294.db2.gz PVAAKAABUNWWRS-SNVBAGLBSA-N 0 3 328.394 0.773 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000359705099 438481051 /nfs/dbraw/zinc/48/10/51/438481051.db2.gz HRZJWZBAGQZFFJ-ZFWWWQNUSA-N 0 3 340.380 0.422 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@H]2Cn2cccn2)c1 ZINC000369782037 438513552 /nfs/dbraw/zinc/51/35/52/438513552.db2.gz KZFPAZDMCSBARE-DZGCQCFKSA-N 0 3 334.380 0.903 20 5 ECBDHN Cc1nc(C)n(C[C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000369781331 438513631 /nfs/dbraw/zinc/51/36/31/438513631.db2.gz DCEFLSSYGFYLIU-DZGCQCFKSA-N 0 3 349.395 0.525 20 5 ECBDHN CC(C)N1CCN([C@H]2CCN(Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000370047680 438546790 /nfs/dbraw/zinc/54/67/90/438546790.db2.gz ZJUNXVOYNBASDO-AWEZNQCLSA-N 0 3 336.440 0.929 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCN1CCCO ZINC000452352595 438652847 /nfs/dbraw/zinc/65/28/47/438652847.db2.gz SCBIDDNLYVTRIE-AWEZNQCLSA-N 0 3 337.376 0.937 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCCN1CCCO ZINC000452355898 438655051 /nfs/dbraw/zinc/65/50/51/438655051.db2.gz ZFAYHGIIHIYHIQ-CYBMUJFWSA-N 0 3 337.376 0.937 20 5 ECBDHN CCc1n[nH]c(C(=O)NCCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000554006646 438758889 /nfs/dbraw/zinc/75/88/89/438758889.db2.gz QBPSBIDZYIEBTQ-UHFFFAOYSA-N 0 3 338.412 0.638 20 5 ECBDHN CCO[C@@H]1C[C@@](N)(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000577103959 438814835 /nfs/dbraw/zinc/81/48/35/438814835.db2.gz GSDYNWVRGFXPRE-BXUZGUMPSA-N 0 3 325.369 0.440 20 5 ECBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H](CO)CN1CCCC1 ZINC000588869366 438846721 /nfs/dbraw/zinc/84/67/21/438846721.db2.gz NZVALONXEYZYEB-ZDUSSCGKSA-N 0 3 336.392 0.970 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590370211 438914144 /nfs/dbraw/zinc/91/41/44/438914144.db2.gz VLQIIUICRWCMFO-SECBINFHSA-N 0 3 325.321 0.018 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CCN2C1=O ZINC000565232225 438930401 /nfs/dbraw/zinc/93/04/01/438930401.db2.gz ADXWJKPEBQOZPS-VXGBXAGGSA-N 0 3 331.376 0.617 20 5 ECBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000565302799 438939894 /nfs/dbraw/zinc/93/98/94/438939894.db2.gz OMPPZDMNHKMMHT-UHFFFAOYSA-N 0 3 325.321 0.332 20 5 ECBDHN NS(=O)(=O)c1ccc(N2CCN3CCC2CC3)cc1[N+](=O)[O-] ZINC000596204585 438940942 /nfs/dbraw/zinc/94/09/42/438940942.db2.gz AVEOVLKHGPLYSB-UHFFFAOYSA-N 0 3 326.378 0.527 20 5 ECBDHN CN1CCN(C)[C@@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000579104041 438980719 /nfs/dbraw/zinc/98/07/19/438980719.db2.gz ZZMYSQDNTGLBLZ-UONOGXRCSA-N 0 3 338.408 0.170 20 5 ECBDHN CC1(C)CNCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000591677789 439060298 /nfs/dbraw/zinc/06/02/98/439060298.db2.gz DKOLWFOFVNESAT-UHFFFAOYSA-N 0 3 330.348 1.000 20 5 ECBDHN CC1(C)CNCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591677687 439060848 /nfs/dbraw/zinc/06/08/48/439060848.db2.gz ANCADSUXCXQQAQ-UHFFFAOYSA-N 0 3 334.376 0.925 20 5 ECBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000579613624 439025909 /nfs/dbraw/zinc/02/59/09/439025909.db2.gz WIRXBVUYKQDOGP-QWRGUYRKSA-N 0 3 334.332 0.130 20 5 ECBDHN CC(C)(CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000591749608 439079777 /nfs/dbraw/zinc/07/97/77/439079777.db2.gz BEHLNLKBQFKBPA-LLVKDONJSA-N 0 3 346.405 0.747 20 5 ECBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1 ZINC000520452237 439083107 /nfs/dbraw/zinc/08/31/07/439083107.db2.gz RCASYGRHUCMOKQ-JTQLQIEISA-N 0 3 338.364 0.400 20 5 ECBDHN Cn1cc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)c([N+](=O)[O-])n1 ZINC000602681113 439119967 /nfs/dbraw/zinc/11/99/67/439119967.db2.gz JURREZITWBAQGY-ZDUSSCGKSA-N 0 3 336.396 0.115 20 5 ECBDHN CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])[n-]3)CC2)C1=O ZINC000567474950 439145425 /nfs/dbraw/zinc/14/54/25/439145425.db2.gz XKFFTXLPDQYXEN-LBPRGKRZSA-N 0 3 335.364 0.348 20 5 ECBDHN CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])[n-]3)CC2)C1=O ZINC000567474949 439146061 /nfs/dbraw/zinc/14/60/61/439146061.db2.gz XKFFTXLPDQYXEN-GFCCVEGCSA-N 0 3 335.364 0.348 20 5 ECBDHN CN(C)C[C@H](CO)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597653867 439150513 /nfs/dbraw/zinc/15/05/13/439150513.db2.gz NLWFSZFTUFOANR-SECBINFHSA-N 0 3 333.291 0.849 20 5 ECBDHN CNc1nccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000597694549 439161532 /nfs/dbraw/zinc/16/15/32/439161532.db2.gz LDZFQYNIKIOZBX-QWHCGFSZSA-N 0 3 349.391 0.967 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000597694551 439161572 /nfs/dbraw/zinc/16/15/72/439161572.db2.gz LEDGXUVBJKCVAZ-UHFFFAOYSA-N 0 3 348.403 0.923 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568783176 439278586 /nfs/dbraw/zinc/27/85/86/439278586.db2.gz OTCWTWQUCDCNAN-ZIAGYGMSSA-N 0 3 347.375 0.167 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000568424760 439249078 /nfs/dbraw/zinc/24/90/78/439249078.db2.gz VLZAMJGIVVXRDB-INIZCTEOSA-N 0 3 335.360 0.790 20 5 ECBDHN CN1CC[C@@H]2CN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000598903081 439325303 /nfs/dbraw/zinc/32/53/03/439325303.db2.gz KDALKUDAOZKSSG-RISCZKNCSA-N 0 3 347.375 0.879 20 5 ECBDHN CC1(OCC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CNC1 ZINC000592966268 439326073 /nfs/dbraw/zinc/32/60/73/439326073.db2.gz XNZZKUFAVXUHEC-LLVKDONJSA-N 0 3 335.364 0.381 20 5 ECBDHN O=C(CCN1CC(N2CC[C@@H](O)C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592998660 439330232 /nfs/dbraw/zinc/33/02/32/439330232.db2.gz DJJFDQKXPPADEZ-CYBMUJFWSA-N 0 3 334.376 0.674 20 5 ECBDHN CC(C)N1CC[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000582416141 439331921 /nfs/dbraw/zinc/33/19/21/439331921.db2.gz XMVRSMIQUZQNLW-UKRRQHHQSA-N 0 3 337.376 0.933 20 5 ECBDHN COC[C@@H]1C[C@@H](O)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593064857 439335085 /nfs/dbraw/zinc/33/50/85/439335085.db2.gz STSSMLYGZWSPLB-YNEHKIRRSA-N 0 3 326.349 0.416 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCCC[NH3+])c1C ZINC000599110131 439361326 /nfs/dbraw/zinc/36/13/26/439361326.db2.gz HVONEMYNXOJOGO-UHFFFAOYSA-N 0 3 331.394 0.855 20 5 ECBDHN CC(C)N1CC[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000569715968 439356272 /nfs/dbraw/zinc/35/62/72/439356272.db2.gz XCYKOTWKOJSMIS-OLZOCXBDSA-N 0 3 337.376 0.933 20 5 ECBDHN CC[C@H](C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000569980584 439379840 /nfs/dbraw/zinc/37/98/40/439379840.db2.gz GUJHDXIHWYMAMH-CQSZACIVSA-N 0 3 346.391 1.406 20 5 ECBDHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599274151 439411021 /nfs/dbraw/zinc/41/10/21/439411021.db2.gz MMXDDYUYSCNICO-JTQLQIEISA-N 0 3 345.425 0.679 20 5 ECBDHN CN1CCC[C@H](N[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000593921156 439496990 /nfs/dbraw/zinc/49/69/90/439496990.db2.gz PWVICHPXKDHBRN-FZMZJTMJSA-N 0 3 332.360 0.911 20 5 ECBDHN COCCN(C)C[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593980909 439502683 /nfs/dbraw/zinc/50/26/83/439502683.db2.gz CZUILVPHODTUFT-AWEZNQCLSA-N 0 3 341.412 0.367 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594198954 439526288 /nfs/dbraw/zinc/52/62/88/439526288.db2.gz WMEULGDLIZIONK-KGLIPLIRSA-N 0 3 334.376 0.890 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000594359205 439547465 /nfs/dbraw/zinc/54/74/65/439547465.db2.gz ZYELWIAMHJBPSW-STQMWFEESA-N 0 3 329.303 0.549 20 5 ECBDHN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594393448 439554150 /nfs/dbraw/zinc/55/41/50/439554150.db2.gz NCKATRWFJNELQI-WDEREUQCSA-N 0 3 330.344 0.967 20 5 ECBDHN NC[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000594451297 439562631 /nfs/dbraw/zinc/56/26/31/439562631.db2.gz JLHXNVNTRVQRQQ-JTQLQIEISA-N 0 3 335.238 0.985 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584361928 439583433 /nfs/dbraw/zinc/58/34/33/439583433.db2.gz IARDJSZAVPETCU-NEPJUHHUSA-N 0 3 347.375 0.086 20 5 ECBDHN COCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594732822 439596703 /nfs/dbraw/zinc/59/67/03/439596703.db2.gz OJYKIVKSMHSUNC-GFCCVEGCSA-N 0 3 335.364 0.792 20 5 ECBDHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C2)C1 ZINC000594776270 439608981 /nfs/dbraw/zinc/60/89/81/439608981.db2.gz XPPMIDHWLALJNT-CYBMUJFWSA-N 0 3 326.378 0.706 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(CCO)CCc2ccccc2)c1 ZINC000610369602 439613185 /nfs/dbraw/zinc/61/31/85/439613185.db2.gz UWCWZIOGIZYGND-MRXNPFEDSA-N 0 3 334.376 0.689 20 5 ECBDHN CCN(CCN)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000600796108 439702657 /nfs/dbraw/zinc/70/26/57/439702657.db2.gz DXHABZHOXJYCCZ-UHFFFAOYSA-N 0 3 349.391 0.051 20 5 ECBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[C@H]1F ZINC000595260990 439683852 /nfs/dbraw/zinc/68/38/52/439683852.db2.gz QJCLXHKORYQKAZ-GHMZBOCLSA-N 0 3 325.296 0.877 20 5 ECBDHN CC1(C)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1CCO ZINC000614895659 439789794 /nfs/dbraw/zinc/78/97/94/439789794.db2.gz XNSPSFPVXCAIHR-UHFFFAOYSA-N 0 3 347.375 1.000 20 5 ECBDHN CN1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](CN)C1 ZINC000162492554 320512145 /nfs/dbraw/zinc/51/21/45/320512145.db2.gz ZZDZTSDWZBRIDD-CQSZACIVSA-N 0 3 344.375 0.495 20 5 ECBDHN CC(C)[C@@H](NCCn1ccc([N+](=O)[O-])n1)C(=O)N1CCOCC1 ZINC000180054073 320523902 /nfs/dbraw/zinc/52/39/02/320523902.db2.gz VFTPCFPTODZFNR-CYBMUJFWSA-N 0 3 325.369 0.264 20 5 ECBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[C@@H]1N1CCN(C)CC1 ZINC000354377485 321471759 /nfs/dbraw/zinc/47/17/59/321471759.db2.gz CBSMPKAHMWZHKY-AAEUAGOBSA-N 0 3 336.396 0.416 20 5 ECBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531882547 322047657 /nfs/dbraw/zinc/04/76/57/322047657.db2.gz ZXBOLHCRRNARQM-UHFFFAOYSA-N 0 3 349.391 0.616 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000566495823 322538346 /nfs/dbraw/zinc/53/83/46/322538346.db2.gz KSSOBJRANRMIAO-GXFFZTMASA-N 0 3 348.359 0.378 20 5 ECBDHN CC(C)N1C[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000567682373 322592352 /nfs/dbraw/zinc/59/23/52/322592352.db2.gz OYFZEAGVFUZRAY-TZMCWYRMSA-N 0 3 337.376 0.933 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](CO)CN2CCCC2)c1 ZINC000571283951 322716097 /nfs/dbraw/zinc/71/60/97/322716097.db2.gz ISNFVXOPGMZGQF-ZFWWWQNUSA-N 0 3 339.392 0.381 20 5 ECBDHN CC(C)N1CCN(CCCOC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000791682900 578891764 /nfs/dbraw/zinc/89/17/64/578891764.db2.gz YZGLNQRJPUIXJP-UHFFFAOYSA-N 0 3 339.396 0.751 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000762721830 579547068 /nfs/dbraw/zinc/54/70/68/579547068.db2.gz OMCIZOUHVHNASG-ZDUSSCGKSA-N 0 3 337.361 0.396 20 5 ECBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000808159307 587146524 /nfs/dbraw/zinc/14/65/24/587146524.db2.gz BUFZGNVTJIOLDO-KGLIPLIRSA-N 0 3 348.403 0.942 20 5 ECBDHN COCCS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106534 587248437 /nfs/dbraw/zinc/24/84/37/587248437.db2.gz CWADHQZJNYSSPF-SNVBAGLBSA-N 0 3 331.346 0.929 20 5 ECBDHN CC(COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813115285 587248798 /nfs/dbraw/zinc/24/87/98/587248798.db2.gz OGYHBNMQNSWVSL-ZETCQYMHSA-N 0 3 332.290 0.820 20 5 ECBDHN CC(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)[N+](=O)[O-] ZINC000813114121 587248890 /nfs/dbraw/zinc/24/88/90/587248890.db2.gz MKLMTZHEELBCNK-VIFPVBQESA-N 0 3 348.333 0.123 20 5 ECBDHN CCN(CC)C(=O)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000818975409 587463049 /nfs/dbraw/zinc/46/30/49/587463049.db2.gz NVBLQFFZRHHIRB-LBPRGKRZSA-N 0 3 325.365 0.793 20 5 ECBDHN CC[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000819138989 587470217 /nfs/dbraw/zinc/47/02/17/587470217.db2.gz FTIKVUBBOKBGLZ-CABCVRRESA-N 0 3 337.376 0.855 20 5 ECBDHN CC[C@@H](CNS(C)(=O)=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819343611 587476867 /nfs/dbraw/zinc/47/68/67/587476867.db2.gz OEKHRWJKWOCZIL-WCQYABFASA-N 0 3 331.394 0.546 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCS(=O)(=O)C1CC1 ZINC000819369890 587477691 /nfs/dbraw/zinc/47/76/91/587477691.db2.gz PDWUGOSXRPIWTI-NSHDSACASA-N 0 3 344.389 0.501 20 5 ECBDHN CCOc1cc(CN2C(C)C(=O)N(C)S2(=O)=O)ccc1[N+](=O)[O-] ZINC000829558923 588329939 /nfs/dbraw/zinc/32/99/39/588329939.db2.gz DNKSHRMHMDCVBH-VIFPVBQESA-N 0 3 343.361 0.901 20 5 ECBDHN NC[C@@H]1CC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NO1 ZINC000852802064 589512606 /nfs/dbraw/zinc/51/26/06/589512606.db2.gz BVPOTANXPXREIC-ZDUSSCGKSA-N 0 3 333.348 0.347 20 5 ECBDHN CN1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000867811245 589847144 /nfs/dbraw/zinc/84/71/44/589847144.db2.gz OFPOVTLKDPLLJJ-JQWIXIFHSA-N 0 3 326.378 0.705 20 5 ECBDHN CNC(=O)c1ccc(N2C[C@@H]3CCCN3C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000872757943 590146763 /nfs/dbraw/zinc/14/67/63/590146763.db2.gz LBQPFFMUPYVIDO-QWHCGFSZSA-N 0 3 334.376 0.600 20 5 ECBDHN Cc1c(CNC[C@@]23COCCN2C(=O)COC3)cccc1[N+](=O)[O-] ZINC000873150179 590185341 /nfs/dbraw/zinc/18/53/41/590185341.db2.gz ZAEAKMHCGXPMNK-INIZCTEOSA-N 0 3 335.360 0.621 20 5 ECBDHN CN1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](CN)C1 ZINC000125003085 590241191 /nfs/dbraw/zinc/24/11/91/590241191.db2.gz COLDEOQXSCCENZ-SNVBAGLBSA-N 0 3 348.812 0.512 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(CN2CCNC2=O)CC1 ZINC000933575340 608762511 /nfs/dbraw/zinc/76/25/11/608762511.db2.gz DZNZHKZQTOUTEY-UHFFFAOYSA-N 0 3 336.396 0.837 20 5 ECBDHN CCn1nncc1CN(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431693 747999599 /nfs/dbraw/zinc/99/95/99/747999599.db2.gz RWNCGWSXLCVQBU-ZIAGYGMSSA-N 0 3 336.396 0.386 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)Cn2cccn2)CC1 ZINC000989942292 754574926 /nfs/dbraw/zinc/57/49/26/754574926.db2.gz XPGQAGKFNLJVJO-UHFFFAOYSA-N 0 3 347.379 0.306 20 5 ECBDHN COc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)ncn1 ZINC001127459224 771257185 /nfs/dbraw/zinc/25/71/85/771257185.db2.gz XVJRJQMAAUWSRH-UHFFFAOYSA-N 0 3 331.332 0.913 20 5 ECBDHN Cc1ncc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cn1 ZINC001072725555 788651952 /nfs/dbraw/zinc/65/19/52/788651952.db2.gz OLRRWQYMQMUSQO-ZIAGYGMSSA-N 0 3 331.376 0.485 20 5 ECBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCn1ccnn1 ZINC001267366219 837261250 /nfs/dbraw/zinc/26/12/50/837261250.db2.gz CNMLAIDAQRRDGW-UHFFFAOYSA-N 0 3 332.364 0.825 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](OCCO)C2)c1 ZINC000265198745 247289423 /nfs/dbraw/zinc/28/94/23/247289423.db2.gz JAIXLQPZFBWUMI-HOCLYGCPSA-N 0 3 340.376 0.808 20 5 ECBDHN C[C@@H]1CN(CCO)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411857260 208156214 /nfs/dbraw/zinc/15/62/14/208156214.db2.gz BXAWSHWRNRUJCW-CYBMUJFWSA-N 0 3 336.392 0.922 20 5 ECBDHN NC(=O)[C@]1(c2ccccc2)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000411958690 208179154 /nfs/dbraw/zinc/17/91/54/208179154.db2.gz CJCMPSZZBCLQIC-MRXNPFEDSA-N 0 3 329.360 0.920 20 5 ECBDHN COCCNCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420429885 209364357 /nfs/dbraw/zinc/36/43/57/209364357.db2.gz BCEAMCRNHJNULV-UHFFFAOYSA-N 0 3 331.394 0.293 20 5 ECBDHN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000187708962 263160612 /nfs/dbraw/zinc/16/06/12/263160612.db2.gz ZNOXBLPDEDWRLO-ZDUSSCGKSA-N 0 3 336.392 0.922 20 5 ECBDHN CS[C@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1N(C)C ZINC000270960058 263289103 /nfs/dbraw/zinc/28/91/03/263289103.db2.gz RCZMJSQUVLIXPV-ZJUUUORDSA-N 0 3 327.410 0.754 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272293236 263343592 /nfs/dbraw/zinc/34/35/92/263343592.db2.gz HMDJTPWNBVDFOD-CQSZACIVSA-N 0 3 325.321 0.366 20 5 ECBDHN CCN(CCOCCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281959209 264000776 /nfs/dbraw/zinc/00/07/76/264000776.db2.gz GAFUDUOWGIDIJX-ZDUSSCGKSA-N 0 3 328.365 0.665 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283775825 264150999 /nfs/dbraw/zinc/15/09/99/264150999.db2.gz SBBPQRYBXZFXRR-OAHLLOKOSA-N 0 3 342.371 0.842 20 5 ECBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295362688 265061090 /nfs/dbraw/zinc/06/10/90/265061090.db2.gz OQKXXOXMVOFFHR-SSDOTTSWSA-N 0 3 344.305 0.410 20 5 ECBDHN CN1CCC(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000296267808 265101288 /nfs/dbraw/zinc/10/12/88/265101288.db2.gz CIJJGFIAVIVMEV-UHFFFAOYSA-N 0 3 348.407 0.916 20 5 ECBDHN C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN(C2CC2)C1 ZINC000297423337 265147826 /nfs/dbraw/zinc/14/78/26/265147826.db2.gz SYZCAINMZFYUCV-GFCCVEGCSA-N 0 3 336.396 0.917 20 5 ECBDHN CNCCN(C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000440845156 277270682 /nfs/dbraw/zinc/27/06/82/277270682.db2.gz NWVZCLAVMLEZIM-UHFFFAOYSA-N 0 3 331.350 0.206 20 5 ECBDHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000440403204 277282486 /nfs/dbraw/zinc/28/24/86/277282486.db2.gz CPKFANWSDZHICD-VIFPVBQESA-N 0 3 345.377 0.500 20 5 ECBDHN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262779391 278226237 /nfs/dbraw/zinc/22/62/37/278226237.db2.gz YJOZZKPHVRUBGG-QMMMGPOBSA-N 0 3 331.350 0.382 20 5 ECBDHN CCN1CC[C@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000339389276 297344996 /nfs/dbraw/zinc/34/49/96/297344996.db2.gz FGDBJHSVUSLNGR-HZPDHXFCSA-N 0 3 348.403 0.989 20 5 ECBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C[C@@H]1CCCOC1 ZINC000344352845 298008963 /nfs/dbraw/zinc/00/89/63/298008963.db2.gz ZOVRTRIYOHMQCV-LBPRGKRZSA-N 0 3 343.405 0.889 20 5 ECBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000344436876 298020074 /nfs/dbraw/zinc/02/00/74/298020074.db2.gz OCMWWSZVPWHOPH-UHFFFAOYSA-N 0 3 338.364 0.860 20 5 ECBDHN CO[C@@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000348001908 298544356 /nfs/dbraw/zinc/54/43/56/298544356.db2.gz DSWHNWXIFBARPS-NWDGAFQWSA-N 0 3 337.380 0.654 20 5 ECBDHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC000352408382 298925103 /nfs/dbraw/zinc/92/51/03/298925103.db2.gz VAEHPRRMIXZTCC-QWRGUYRKSA-N 0 3 331.398 0.241 20 5 ECBDHN O=C1[C@H](N[C@H]2CCc3ncnn3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109132797 436623933 /nfs/dbraw/zinc/62/39/33/436623933.db2.gz DBOIBAUZPYHDIL-SMDDNHRTSA-N 0 3 342.359 0.896 20 5 ECBDHN CN(CCN1CCCC1=O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541348255 302183309 /nfs/dbraw/zinc/18/33/09/302183309.db2.gz BMHJPSWQRHQOSU-CYBMUJFWSA-N 0 3 337.376 0.889 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000064333917 436648654 /nfs/dbraw/zinc/64/86/54/436648654.db2.gz OHXYCZGZVIIHIL-DZGCQCFKSA-N 0 3 335.360 0.953 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000195194111 436682524 /nfs/dbraw/zinc/68/25/24/436682524.db2.gz SSTBTNMHXYPOCL-HNNXBMFYSA-N 0 3 346.387 0.973 20 5 ECBDHN CN1CC[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272491542 436717139 /nfs/dbraw/zinc/71/71/39/436717139.db2.gz TYSMSOFEDYEQGB-DOMZBBRYSA-N 0 3 346.387 0.877 20 5 ECBDHN CC(C)[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000154538391 436780847 /nfs/dbraw/zinc/78/08/47/436780847.db2.gz BCFICJBIWNOSSK-LBPRGKRZSA-N 0 3 340.405 0.924 20 5 ECBDHN COCCN1CCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000069577129 436781103 /nfs/dbraw/zinc/78/11/03/436781103.db2.gz DRBZUEREZWYAQX-LBPRGKRZSA-N 0 3 339.396 0.753 20 5 ECBDHN COC[C@@H](O)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274817397 436877715 /nfs/dbraw/zinc/87/77/15/436877715.db2.gz JCQZCIVSIDATNT-ZDUSSCGKSA-N 0 3 349.391 0.991 20 5 ECBDHN CCCc1n[n-]c(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000133913360 436887257 /nfs/dbraw/zinc/88/72/57/436887257.db2.gz VABKFZNOXPTRJH-LLVKDONJSA-N 0 3 339.396 0.969 20 5 ECBDHN CCCc1n[n-]c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000133913572 436887480 /nfs/dbraw/zinc/88/74/80/436887480.db2.gz VABKFZNOXPTRJH-NSHDSACASA-N 0 3 339.396 0.969 20 5 ECBDHN Cc1n[n-]c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000275555417 436984370 /nfs/dbraw/zinc/98/43/70/436984370.db2.gz IEVWSYLAPUGBNX-SECBINFHSA-N 0 3 325.369 0.544 20 5 ECBDHN Cc1n[n-]c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000275555417 436984373 /nfs/dbraw/zinc/98/43/73/436984373.db2.gz IEVWSYLAPUGBNX-SECBINFHSA-N 0 3 325.369 0.544 20 5 ECBDHN CN1CCC[C@@]2(CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000297141704 437006128 /nfs/dbraw/zinc/00/61/28/437006128.db2.gz CMWIRXORURDBHX-OAHLLOKOSA-N 0 3 336.396 0.919 20 5 ECBDHN COc1ccc(CNC[C@](C)(O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000174484779 437080705 /nfs/dbraw/zinc/08/07/05/437080705.db2.gz REDOJRXZHRMLPE-INIZCTEOSA-N 0 3 339.392 0.776 20 5 ECBDHN O=C(C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1)N1CCOCC1 ZINC000174810273 437088197 /nfs/dbraw/zinc/08/81/97/437088197.db2.gz MICBTPZIURFSGT-UHFFFAOYSA-N 0 3 337.380 0.362 20 5 ECBDHN NS(=O)(=O)c1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301138425 437112798 /nfs/dbraw/zinc/11/27/98/437112798.db2.gz ATNMVLHXKGJHPN-NSHDSACASA-N 0 3 340.405 0.917 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000316579975 437186951 /nfs/dbraw/zinc/18/69/51/437186951.db2.gz MLFSFPHNPLXXQF-LLVKDONJSA-N 0 3 328.394 0.167 20 5 ECBDHN C[C@H]1NCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000277550539 437231739 /nfs/dbraw/zinc/23/17/39/437231739.db2.gz YRCBCCKJXFAKDQ-VXGBXAGGSA-N 0 3 334.376 0.924 20 5 ECBDHN COCCN(C)C[C@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000326754913 437234442 /nfs/dbraw/zinc/23/44/42/437234442.db2.gz MGASNPNLSYGEBC-NSHDSACASA-N 0 3 337.332 0.130 20 5 ECBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277693954 437246788 /nfs/dbraw/zinc/24/67/88/437246788.db2.gz ZYINZYHLUJWQAY-UHFFFAOYSA-N 0 3 336.392 0.971 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCN(c3ccccn3)CC2)c1 ZINC000183845802 437393833 /nfs/dbraw/zinc/39/38/33/437393833.db2.gz RIALZZBCICBCKI-HNNXBMFYSA-N 0 3 346.391 0.760 20 5 ECBDHN COc1ccc(NC(=O)C(=O)NCCN(C)C(C)C)cc1[N+](=O)[O-] ZINC000360753819 437646404 /nfs/dbraw/zinc/64/64/04/437646404.db2.gz LRIAVQUXHUFUOD-UHFFFAOYSA-N 0 3 338.364 0.998 20 5 ECBDHN CN(C)CCN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192821657 437690614 /nfs/dbraw/zinc/69/06/14/437690614.db2.gz CESQJTDZSPBKBN-UHFFFAOYSA-N 0 3 336.392 0.679 20 5 ECBDHN Cn1cc([C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@H]2N)cn1 ZINC000424221987 437903537 /nfs/dbraw/zinc/90/35/37/437903537.db2.gz DIRRLMINQWAECO-NWDGAFQWSA-N 0 3 348.338 0.617 20 5 ECBDHN Cn1cc([C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000424221933 437904149 /nfs/dbraw/zinc/90/41/49/437904149.db2.gz DDIROEGNTSQFQB-CMPLNLGQSA-N 0 3 330.348 0.477 20 5 ECBDHN COc1ccc([C@H](CN(C)C)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000357303390 437959291 /nfs/dbraw/zinc/95/92/91/437959291.db2.gz IEXPDBYWURNGKP-ZDUSSCGKSA-N 0 3 348.363 0.614 20 5 ECBDHN [NH3+]C1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000342532190 438026881 /nfs/dbraw/zinc/02/68/81/438026881.db2.gz UHEDLERBHBAFMY-UHFFFAOYSA-N 0 3 343.361 0.526 20 5 ECBDHN COC(=O)[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000373182301 438133604 /nfs/dbraw/zinc/13/36/04/438133604.db2.gz HPWDBGVIDBMHQL-CHWSQXEVSA-N 0 3 338.364 0.427 20 5 ECBDHN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCN1CCCC1 ZINC000358695229 438283323 /nfs/dbraw/zinc/28/33/23/438283323.db2.gz CNNBQCIEBMKRQX-UHFFFAOYSA-N 0 3 349.391 0.606 20 5 ECBDHN CSC1(CNC(=O)c2c([N+](=O)[O-])cnn2C)CCN(C)CC1 ZINC000359284450 438403035 /nfs/dbraw/zinc/40/30/35/438403035.db2.gz VMJKGFJGSWCYNK-UHFFFAOYSA-N 0 3 327.410 0.886 20 5 ECBDHN CN(C)[C@]1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCSC1 ZINC000359683737 438477576 /nfs/dbraw/zinc/47/75/76/438477576.db2.gz XCMQMHVTJPMDTK-AWEZNQCLSA-N 0 3 340.405 0.310 20 5 ECBDHN CNC(=O)[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000420981090 438456677 /nfs/dbraw/zinc/45/66/77/438456677.db2.gz VOKZNHOMSROTSD-LLVKDONJSA-N 0 3 348.359 0.961 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC000369783919 438514193 /nfs/dbraw/zinc/51/41/93/438514193.db2.gz XICGMQUCTBXBRP-OCCSQVGLSA-N 0 3 332.364 0.822 20 5 ECBDHN C[C@H](C[C@H](C)[NH3+])NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422977584 438623613 /nfs/dbraw/zinc/62/36/13/438623613.db2.gz FWLPFNOYUAXRCC-WDEREUQCSA-N 0 3 330.410 0.589 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@@H]1O ZINC000577229542 438826396 /nfs/dbraw/zinc/82/63/96/438826396.db2.gz MBTADBQXKMIQFL-GJZGRUSLSA-N 0 3 345.359 0.732 20 5 ECBDHN CO[C@]1(CO)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595658460 438840989 /nfs/dbraw/zinc/84/09/89/438840989.db2.gz JLJYJUDYDXGRAT-XJKSGUPXSA-N 0 3 340.376 0.808 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860720 438844319 /nfs/dbraw/zinc/84/43/19/438844319.db2.gz KYNFPTJCFKOKQD-STQMWFEESA-N 0 3 334.376 0.674 20 5 ECBDHN NC[C@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000577833254 438874262 /nfs/dbraw/zinc/87/42/62/438874262.db2.gz ITTXSGXGNCHPQB-AWEZNQCLSA-N 0 3 334.376 0.845 20 5 ECBDHN CC(C)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000595920825 438884919 /nfs/dbraw/zinc/88/49/19/438884919.db2.gz XGFVKXPJZOEJAS-UHFFFAOYSA-N 0 3 340.405 0.939 20 5 ECBDHN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCOC2(CNC2)C1 ZINC000596097866 438925098 /nfs/dbraw/zinc/92/50/98/438925098.db2.gz HXWBYWTUSAOOGV-UHFFFAOYSA-N 0 3 343.343 0.595 20 5 ECBDHN CN(CC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000590551475 438931756 /nfs/dbraw/zinc/93/17/56/438931756.db2.gz YIHTVXOYNDWSAZ-UONOGXRCSA-N 0 3 348.403 0.699 20 5 ECBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596175335 438935896 /nfs/dbraw/zinc/93/58/96/438935896.db2.gz RSMACEBCLLSMQZ-GFCCVEGCSA-N 0 3 334.380 0.491 20 5 ECBDHN C[C@H]1CN(CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCCO1 ZINC000579971064 439053354 /nfs/dbraw/zinc/05/33/54/439053354.db2.gz SLHASODEGJNKIV-NSHDSACASA-N 0 3 337.380 0.803 20 5 ECBDHN O=C(CCNCCN1C(=O)CNC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000580305830 439080938 /nfs/dbraw/zinc/08/09/38/439080938.db2.gz WLRNRFHTGVJUFU-UHFFFAOYSA-N 0 3 335.320 0.065 20 5 ECBDHN COC[C@](C)(O)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591769554 439082331 /nfs/dbraw/zinc/08/23/31/439082331.db2.gz SLRQQXLKZWYBLO-CQSZACIVSA-N 0 3 346.405 0.746 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000602790497 439135230 /nfs/dbraw/zinc/13/52/30/439135230.db2.gz JVNGXLTTXQGSPE-OAHLLOKOSA-N 0 3 336.440 0.812 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000487168037 439137703 /nfs/dbraw/zinc/13/77/03/439137703.db2.gz ZAKDDHLRAJBJRW-AWEZNQCLSA-N 0 3 329.303 0.598 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597653868 439150476 /nfs/dbraw/zinc/15/04/76/439150476.db2.gz NLWFSZFTUFOANR-VIFPVBQESA-N 0 3 333.291 0.849 20 5 ECBDHN O=C1CCCN1[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000525784093 439215598 /nfs/dbraw/zinc/21/55/98/439215598.db2.gz ZEEXBQRKNGLGSG-TZMCWYRMSA-N 0 3 337.380 0.239 20 5 ECBDHN CN[C@@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000582311435 439319612 /nfs/dbraw/zinc/31/96/12/439319612.db2.gz MXPJBOAASKFHBI-VIFPVBQESA-N 0 3 326.378 0.549 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000582090144 439288505 /nfs/dbraw/zinc/28/85/05/439288505.db2.gz MKGKRMRHSQYRHA-KBPBESRZSA-N 0 3 337.376 0.805 20 5 ECBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000592882880 439297443 /nfs/dbraw/zinc/29/74/43/439297443.db2.gz ZUCKCTCMSZUNBP-VIFPVBQESA-N 0 3 326.378 0.848 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593234764 439355000 /nfs/dbraw/zinc/35/50/00/439355000.db2.gz JLSIHXCOPRICFB-UHFFFAOYSA-N 0 3 334.376 0.749 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1 ZINC000593235229 439355211 /nfs/dbraw/zinc/35/52/11/439355211.db2.gz PKNBDWVVIFVISA-UHFFFAOYSA-N 0 3 334.376 0.749 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582677995 439367129 /nfs/dbraw/zinc/36/71/29/439367129.db2.gz ZDHCQCSQIRODEF-QWHCGFSZSA-N 0 3 347.375 0.086 20 5 ECBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000599245853 439397134 /nfs/dbraw/zinc/39/71/34/439397134.db2.gz YHIXJNKRAGBPRI-QWRGUYRKSA-N 0 3 345.425 0.822 20 5 ECBDHN CN(C)CCN1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1=O ZINC000593486167 439387601 /nfs/dbraw/zinc/38/76/01/439387601.db2.gz NUSHMKUKQYZAFU-UHFFFAOYSA-N 0 3 333.392 0.773 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594025180 439508370 /nfs/dbraw/zinc/50/83/70/439508370.db2.gz CQENTZLCXCCGDD-BFHYXJOUSA-N 0 3 337.376 0.085 20 5 ECBDHN CNc1nccc(C(=O)NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000594301520 439537053 /nfs/dbraw/zinc/53/70/53/439537053.db2.gz RQNAJGFFSJYSLM-UHFFFAOYSA-N 0 3 337.380 0.608 20 5 ECBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594393770 439554299 /nfs/dbraw/zinc/55/42/99/439554299.db2.gz PHNFDGRKYIUKFH-NWDGAFQWSA-N 0 3 330.344 0.967 20 5 ECBDHN NC[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594450936 439562145 /nfs/dbraw/zinc/56/21/45/439562145.db2.gz WZMJEALZPILVOO-JTQLQIEISA-N 0 3 348.281 0.721 20 5 ECBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000609307118 439563758 /nfs/dbraw/zinc/56/37/58/439563758.db2.gz QYSUGJWAKJFOBE-CYBMUJFWSA-N 0 3 335.364 0.477 20 5 ECBDHN CCN(CCN)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599888142 439571236 /nfs/dbraw/zinc/57/12/36/439571236.db2.gz QRNLXSGALYXYHQ-UHFFFAOYSA-N 0 3 346.290 0.942 20 5 ECBDHN CN1CC[C@]2(CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C2)C1 ZINC000594776271 439609043 /nfs/dbraw/zinc/60/90/43/439609043.db2.gz XPPMIDHWLALJNT-ZDUSSCGKSA-N 0 3 326.378 0.706 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595119962 439655881 /nfs/dbraw/zinc/65/58/81/439655881.db2.gz COZXPUCQNUPZDN-NXEZZACHSA-N 0 3 333.341 0.663 20 5 ECBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000611235258 439684433 /nfs/dbraw/zinc/68/44/33/439684433.db2.gz PMIPJKPWCQBSGB-UHFFFAOYSA-N 0 3 337.380 0.703 20 5 ECBDHN CC(C)[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCCC1 ZINC000611395374 439695103 /nfs/dbraw/zinc/69/51/03/439695103.db2.gz ILQGZWCBCGFCPP-HNNXBMFYSA-N 0 3 336.392 0.993 20 5 ECBDHN CN(C)C[C@@]1(O)CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000618923031 440178802 /nfs/dbraw/zinc/17/88/02/440178802.db2.gz BEPVIZVXQOFEOQ-INIZCTEOSA-N 0 3 337.376 0.889 20 5 ECBDHN COC(=O)CNC(=O)c1ccc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC000273295953 320560668 /nfs/dbraw/zinc/56/06/68/320560668.db2.gz LFSZYMBUYUOPJS-UHFFFAOYSA-N 0 3 336.348 0.248 20 5 ECBDHN CC(C)[C@](C)(NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000289470569 320669110 /nfs/dbraw/zinc/66/91/10/320669110.db2.gz YZLVLGDYIBWWHW-DOMZBBRYSA-N 0 3 325.365 0.824 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1[C@@H](CO)CC[C@H]1CO ZINC000347308828 321235460 /nfs/dbraw/zinc/23/54/60/321235460.db2.gz NNDRLRKWMDGWKY-FRRDWIJNSA-N 0 3 326.349 0.152 20 5 ECBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[C@H]1N1CCN(C)CC1 ZINC000354377489 321471917 /nfs/dbraw/zinc/47/19/17/321471917.db2.gz CBSMPKAHMWZHKY-WCQYABFASA-N 0 3 336.396 0.416 20 5 ECBDHN O=C([C@H]1CN2CCN1CCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534284426 322074369 /nfs/dbraw/zinc/07/43/69/322074369.db2.gz CNTSXNXAVLRADS-MRXNPFEDSA-N 0 3 330.388 0.869 20 5 ECBDHN CCN(CCO)CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000190328775 528545482 /nfs/dbraw/zinc/54/54/82/528545482.db2.gz AAGKCPNUWNVESL-UHFFFAOYSA-N 0 3 325.365 0.956 20 5 ECBDHN Cc1nn(CN2CCN(CC(C)(C)O)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749953951 579345022 /nfs/dbraw/zinc/34/50/22/579345022.db2.gz HAKIHONSROEQSU-UHFFFAOYSA-N 0 3 348.407 0.994 20 5 ECBDHN C[NH+](C)CCn1cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000736770571 578450802 /nfs/dbraw/zinc/45/08/02/578450802.db2.gz AJCMZVUVIVTYGK-UHFFFAOYSA-N 0 3 344.339 0.672 20 5 ECBDHN C[NH+](C)CCn1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000736770571 578450803 /nfs/dbraw/zinc/45/08/03/578450803.db2.gz AJCMZVUVIVTYGK-UHFFFAOYSA-N 0 3 344.339 0.672 20 5 ECBDHN COCCNCCNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000841202366 588981917 /nfs/dbraw/zinc/98/19/17/588981917.db2.gz FQJTYXODYOKIII-UHFFFAOYSA-N 0 3 342.327 0.333 20 5 ECBDHN Cn1cc([C@@H](O)CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000843091857 589049994 /nfs/dbraw/zinc/04/99/94/589049994.db2.gz LYGOHJBUYGRVJU-AWEZNQCLSA-N 0 3 333.348 0.980 20 5 ECBDHN CN(CCO)CCN(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000894592421 586403659 /nfs/dbraw/zinc/40/36/59/586403659.db2.gz XIOGSRKQIKYOHB-UHFFFAOYSA-N 0 3 325.291 0.707 20 5 ECBDHN O=C(N1CCNCCNCC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000900476020 586637020 /nfs/dbraw/zinc/63/70/20/586637020.db2.gz WCIMQENLRHKOHL-UHFFFAOYSA-N 0 3 344.318 0.588 20 5 ECBDHN CN1C[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907554516 586734523 /nfs/dbraw/zinc/73/45/23/586734523.db2.gz NFAADYDDSNHBRW-MFKMUULPSA-N 0 3 326.378 0.562 20 5 ECBDHN CCNCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000843392194 589065548 /nfs/dbraw/zinc/06/55/48/589065548.db2.gz JCIGCOGPDFBWES-UHFFFAOYSA-N 0 3 326.378 0.550 20 5 ECBDHN O=C(CCN1CCC[C@@](O)(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839147826 586838350 /nfs/dbraw/zinc/83/83/50/586838350.db2.gz SBORZAHIKARPFK-HNNXBMFYSA-N 0 3 341.339 0.882 20 5 ECBDHN Nc1c(C(=O)N[C@H](CO)CN2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000808220611 587150046 /nfs/dbraw/zinc/15/00/46/587150046.db2.gz KNHCMVKAOVSSLI-JTQLQIEISA-N 0 3 326.328 0.503 20 5 ECBDHN CC(COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[N+](=O)[O-] ZINC000813107345 587248629 /nfs/dbraw/zinc/24/86/29/587248629.db2.gz MGWWQFVQGSZQRM-MRVPVSSYSA-N 0 3 339.260 0.529 20 5 ECBDHN CC(COC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)[N+](=O)[O-] ZINC000813114812 587248898 /nfs/dbraw/zinc/24/88/98/587248898.db2.gz WQKMNCWURAFGDC-PRHODGIISA-N 0 3 338.295 0.454 20 5 ECBDHN CS(=O)(=O)NC1CC(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819296243 587475576 /nfs/dbraw/zinc/47/55/76/587475576.db2.gz WIMXBDLTYRWJTQ-GCZXYKMCSA-N 0 3 329.378 0.298 20 5 ECBDHN O=[N+]([O-])c1cc(-c2nc(N3CCNCC3)no2)ccc1-n1cncn1 ZINC000823320725 587715849 /nfs/dbraw/zinc/71/58/49/587715849.db2.gz IDNFWCIDXOJULG-UHFFFAOYSA-N 0 3 342.319 0.635 20 5 ECBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@](C)(O)c1ccccc1 ZINC000823592356 587733101 /nfs/dbraw/zinc/73/31/01/587733101.db2.gz RAMNOSIXAUFQKZ-JKSUJKDBSA-N 0 3 334.376 0.992 20 5 ECBDHN COC(=O)N(C)CCN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000852573373 589501854 /nfs/dbraw/zinc/50/18/54/589501854.db2.gz KATIHEGJSVXORD-CYBMUJFWSA-N 0 3 341.364 0.965 20 5 ECBDHN COC(=O)N(C)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000853119806 589532831 /nfs/dbraw/zinc/53/28/31/589532831.db2.gz YRWOZCOODVJOIR-NSHDSACASA-N 0 3 327.337 0.622 20 5 ECBDHN CC(COC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000857030135 589684510 /nfs/dbraw/zinc/68/45/10/589684510.db2.gz UWGCVDXNLJHEOI-QMMMGPOBSA-N 0 3 326.265 0.925 20 5 ECBDHN O=C1COC[C@]2(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])COCCN12 ZINC000866552499 589750072 /nfs/dbraw/zinc/75/00/72/589750072.db2.gz BGAHVIFUJKUMNF-YOEHRIQHSA-N 0 3 347.371 0.800 20 5 ECBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2CCCN2C[C@@H]1CO ZINC000872757664 590146582 /nfs/dbraw/zinc/14/65/82/590146582.db2.gz JBKXDBOFYNAJJD-DTWKUNHWSA-N 0 3 349.313 0.992 20 5 ECBDHN O=C1COC[C@]2(CNC/C=C/c3ccccc3[N+](=O)[O-])COCCN12 ZINC000865800615 590158754 /nfs/dbraw/zinc/15/87/54/590158754.db2.gz KZGYCFHSKZDVBS-RCFWFJCLSA-N 0 3 347.371 0.825 20 5 ECBDHN CN1CCN(CCCn2nnc(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000912459012 609958918 /nfs/dbraw/zinc/95/89/18/609958918.db2.gz ODLGEYVBYGYDJN-UHFFFAOYSA-N 0 3 331.380 0.886 20 5 ECBDHN O=C1NCCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C12CNC2 ZINC001164412811 718878598 /nfs/dbraw/zinc/87/85/98/718878598.db2.gz ZMIAAHZRRQYJPG-UHFFFAOYSA-N 0 3 347.709 0.466 20 5 ECBDHN CC(C)(C)n1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001025776622 739945537 /nfs/dbraw/zinc/94/55/37/739945537.db2.gz CTBSTKSRNWXGHV-QMIVOQANSA-N 0 3 347.419 0.850 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2cccnn2)C1 ZINC000984949319 747157836 /nfs/dbraw/zinc/15/78/36/747157836.db2.gz CZCIFKRLHGQKIN-XYPYZODXSA-N 0 3 345.363 0.417 20 5 ECBDHN COc1cccc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001002781485 747776762 /nfs/dbraw/zinc/77/67/62/747776762.db2.gz DSOCAQIBFHVPLL-ZIAGYGMSSA-N 0 3 334.376 0.836 20 5 ECBDHN Cn1cc(C(=O)N2CCC(NCc3c([N+](=O)[O-])ncn3C)CC2)cn1 ZINC000989926548 754567603 /nfs/dbraw/zinc/56/76/03/754567603.db2.gz IMUGTTAXQOTZCJ-UHFFFAOYSA-N 0 3 347.379 0.456 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000983232297 754946645 /nfs/dbraw/zinc/94/66/45/754946645.db2.gz XCQBSHFHDMBXES-HOMQSWHASA-N 0 3 333.352 0.350 20 5 ECBDHN CCn1ccnc1CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050517352 760413838 /nfs/dbraw/zinc/41/38/38/760413838.db2.gz PLAIOVYPKHQXRU-ZIAGYGMSSA-N 0 3 347.419 0.993 20 5 ECBDHN CNS(=O)(=O)c1ccc(N2CCN3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000599082715 764072366 /nfs/dbraw/zinc/07/23/66/764072366.db2.gz FWMYUQRUPXMQEK-JTQLQIEISA-N 0 3 326.378 0.397 20 5 ECBDHN Nc1nc(NC2CCN(C(=O)CN3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001057335046 772480585 /nfs/dbraw/zinc/48/05/85/772480585.db2.gz QNXIEDJPIWPFSJ-UHFFFAOYSA-N 0 3 349.395 0.466 20 5 ECBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000355309185 299236391 /nfs/dbraw/zinc/23/63/91/299236391.db2.gz CFYVRWQROIJJKI-NSHDSACASA-N 0 3 325.369 0.809 20 5 ECBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000355309185 299236395 /nfs/dbraw/zinc/23/63/95/299236395.db2.gz CFYVRWQROIJJKI-NSHDSACASA-N 0 3 325.369 0.809 20 5 ECBDHN COCC[NH2+]CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000193363128 240131899 /nfs/dbraw/zinc/13/18/99/240131899.db2.gz FTUIGDPIJQKMDS-UHFFFAOYSA-N 0 3 337.785 0.763 20 5 ECBDHN C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)CN1CCN(C)CC1 ZINC000265109698 247212421 /nfs/dbraw/zinc/21/24/21/247212421.db2.gz KBTHFANANCJTFZ-ZDUSSCGKSA-N 0 3 338.412 0.181 20 5 ECBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000153027217 224047759 /nfs/dbraw/zinc/04/77/59/224047759.db2.gz AUUQQUREDNKHOL-OAHLLOKOSA-N 0 3 348.363 0.218 20 5 ECBDHN Cc1cc(NC(=O)C(=O)NCCOCCN(C)C)ccc1[N+](=O)[O-] ZINC000411420908 208099788 /nfs/dbraw/zinc/09/97/88/208099788.db2.gz KGPXKOYGVMZPLJ-UHFFFAOYSA-N 0 3 338.364 0.536 20 5 ECBDHN COC[C@@H]1C[C@H](O)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000411917527 208169197 /nfs/dbraw/zinc/16/91/97/208169197.db2.gz CPLUGDNJBSBCOO-IHRRRGAJSA-N 0 3 326.349 0.416 20 5 ECBDHN C[C@H]1CN(CCO)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411857261 208154775 /nfs/dbraw/zinc/15/47/75/208154775.db2.gz BXAWSHWRNRUJCW-ZDUSSCGKSA-N 0 3 336.392 0.922 20 5 ECBDHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cn1 ZINC000357441781 299585036 /nfs/dbraw/zinc/58/50/36/299585036.db2.gz RWGNQPRBQAXWKQ-UHFFFAOYSA-N 0 3 349.351 0.050 20 5 ECBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000118866210 221198700 /nfs/dbraw/zinc/19/87/00/221198700.db2.gz DDVUSAOLVFQCHQ-CYBMUJFWSA-N 0 3 349.391 0.725 20 5 ECBDHN NC(=O)C[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245409413 165105318 /nfs/dbraw/zinc/10/53/18/165105318.db2.gz MCSQZSXVCFMDKG-GXTWGEPZSA-N 0 3 337.376 0.922 20 5 ECBDHN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000262079511 165287488 /nfs/dbraw/zinc/28/74/88/165287488.db2.gz GZZPUYAEYXIKKO-SECBINFHSA-N 0 3 349.796 0.823 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC[NH2+]C[C@H]1C ZINC000262737734 165378752 /nfs/dbraw/zinc/37/87/52/165378752.db2.gz AZKJKXAMKQZBCL-KOLCDFICSA-N 0 3 329.378 0.880 20 5 ECBDHN CS[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000270521689 263248171 /nfs/dbraw/zinc/24/81/71/263248171.db2.gz SXVVFFSUXZCFPS-VXGBXAGGSA-N 0 3 327.410 0.685 20 5 ECBDHN CCc1n[nH]c(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000271003684 263292465 /nfs/dbraw/zinc/29/24/65/263292465.db2.gz GEOLYEXZOMUXBY-NXEZZACHSA-N 0 3 327.410 0.998 20 5 ECBDHN CCc1[nH]nc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000271003684 263292466 /nfs/dbraw/zinc/29/24/66/263292466.db2.gz GEOLYEXZOMUXBY-NXEZZACHSA-N 0 3 327.410 0.998 20 5 ECBDHN CC(C)(CN)NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418017237 275548036 /nfs/dbraw/zinc/54/80/36/275548036.db2.gz GWKVKLWWBFJWCD-UHFFFAOYSA-N 0 3 344.393 0.405 20 5 ECBDHN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)NCCN1CCCCC1 ZINC000339439039 297348802 /nfs/dbraw/zinc/34/88/02/297348802.db2.gz ZCCCXOZZBAJHPC-SNVBAGLBSA-N 0 3 338.368 0.038 20 5 ECBDHN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NCCN1CCCCC1 ZINC000339439039 297348803 /nfs/dbraw/zinc/34/88/03/297348803.db2.gz ZCCCXOZZBAJHPC-SNVBAGLBSA-N 0 3 338.368 0.038 20 5 ECBDHN CN(C)S(=O)(=O)NCCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000362314336 300182272 /nfs/dbraw/zinc/18/22/72/300182272.db2.gz YXXZRQXTULHPLY-ALCCZGGFSA-N 0 3 328.394 0.594 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363192843 300253263 /nfs/dbraw/zinc/25/32/63/300253263.db2.gz OVXBYAXEGNWDLK-STQMWFEESA-N 0 3 334.376 0.986 20 5 ECBDHN Cc1nn(CCC(=O)NCC2(O)CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000080880361 436329644 /nfs/dbraw/zinc/32/96/44/436329644.db2.gz HQZNVESKCHZHIJ-UHFFFAOYSA-N 0 3 339.396 0.371 20 5 ECBDHN CN1CC=C(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000544846126 302229031 /nfs/dbraw/zinc/22/90/31/302229031.db2.gz RGAXRSDNJILQGA-UHFFFAOYSA-N 0 3 326.378 0.916 20 5 ECBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)NCCN(C)C ZINC000552082336 302383644 /nfs/dbraw/zinc/38/36/44/302383644.db2.gz OPIMZJUEAGFWTK-VIFPVBQESA-N 0 3 326.328 0.530 20 5 ECBDHN COCCNCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152221494 436723233 /nfs/dbraw/zinc/72/32/33/436723233.db2.gz HAVMVZLZQFGJDQ-UHFFFAOYSA-N 0 3 333.348 0.746 20 5 ECBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568783502 302499224 /nfs/dbraw/zinc/49/92/24/302499224.db2.gz VRWGVMJKZLRHBU-RYUDHWBXSA-N 0 3 347.375 0.987 20 5 ECBDHN Cc1cc(=O)n(CC(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000128430616 436815340 /nfs/dbraw/zinc/81/53/40/436815340.db2.gz RCOHEPKGRBMUTH-UHFFFAOYSA-N 0 3 334.376 0.808 20 5 ECBDHN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC[NH+](C)C ZINC000292958807 436839079 /nfs/dbraw/zinc/83/90/79/436839079.db2.gz KFLVJMUYTOWJCH-UHFFFAOYSA-N 0 3 345.377 0.611 20 5 ECBDHN CCN(CCO)CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000274554692 436842907 /nfs/dbraw/zinc/84/29/07/436842907.db2.gz NQFMMIKLTVSZRS-UHFFFAOYSA-N 0 3 341.364 0.413 20 5 ECBDHN CN(C)CCn1nnnc1SCCn1cc([N+](=O)[O-])ccc1=O ZINC000160090560 436868266 /nfs/dbraw/zinc/86/82/66/436868266.db2.gz OVAKPZSAOQLAQZ-UHFFFAOYSA-N 0 3 339.381 0.097 20 5 ECBDHN Cc1cc(OCC(=O)NC[C@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000280836928 436925317 /nfs/dbraw/zinc/92/53/17/436925317.db2.gz PWZKBPQVTCDVLR-HNNXBMFYSA-N 0 3 325.365 0.711 20 5 ECBDHN CN1CCN([C@@H]2CCCCN(CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000161863396 436898162 /nfs/dbraw/zinc/89/81/62/436898162.db2.gz KTBWEJZHMDNMNM-OAHLLOKOSA-N 0 3 336.440 0.893 20 5 ECBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280638128 436909128 /nfs/dbraw/zinc/90/91/28/436909128.db2.gz XYVKOUGHJQNWQK-CABCVRRESA-N 0 3 347.375 0.701 20 5 ECBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CC(N)=O)c1ccccc1 ZINC000280638140 436909678 /nfs/dbraw/zinc/90/96/78/436909678.db2.gz XYVKOUGHJQNWQK-LSDHHAIUSA-N 0 3 347.375 0.701 20 5 ECBDHN O=c1[nH]c(N2CCCN(CCO)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000281270552 436958300 /nfs/dbraw/zinc/95/83/00/436958300.db2.gz WDMWXISDEIEMTD-UHFFFAOYSA-N 0 3 333.348 0.748 20 5 ECBDHN CN1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000298076531 437025664 /nfs/dbraw/zinc/02/56/64/437025664.db2.gz CNMZGWGJGLAHJP-UHFFFAOYSA-N 0 3 346.343 0.355 20 5 ECBDHN O=C(CNC1(CO)CCOCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000264627096 437056477 /nfs/dbraw/zinc/05/64/77/437056477.db2.gz QGPYHNSSEAPFED-UHFFFAOYSA-N 0 3 335.360 0.615 20 5 ECBDHN O=C1CCCN1C[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331427418 437093808 /nfs/dbraw/zinc/09/38/08/437093808.db2.gz SBZGODYLHBIISZ-CYBMUJFWSA-N 0 3 337.380 0.412 20 5 ECBDHN CC1CCN(C[C@@H](O)CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301178014 437114768 /nfs/dbraw/zinc/11/47/68/437114768.db2.gz NQLZZTOWLOBNSZ-LBPRGKRZSA-N 0 3 337.380 0.593 20 5 ECBDHN CN(CCN1CCCC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301190900 437115515 /nfs/dbraw/zinc/11/55/15/437115515.db2.gz LQJCCRSUPULWTO-UHFFFAOYSA-N 0 3 328.394 0.774 20 5 ECBDHN CN(C)C1CN(c2nc(N3CC(N(C)C)C3)c([N+](=O)[O-])s2)C1 ZINC000302141682 437138021 /nfs/dbraw/zinc/13/80/21/437138021.db2.gz PEKLRQVFNDIILG-UHFFFAOYSA-N 0 3 326.426 0.552 20 5 ECBDHN COCCO[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000179342338 437259496 /nfs/dbraw/zinc/25/94/96/437259496.db2.gz DEUWSVRUYWQKJY-UONOGXRCSA-N 0 3 328.369 0.280 20 5 ECBDHN O=C1NC(=O)[C@]2(CCCN(CCOc3ccccc3[N+](=O)[O-])C2)N1 ZINC000279068536 437370149 /nfs/dbraw/zinc/37/01/49/437370149.db2.gz MKFSSAHGMBBAIC-OAHLLOKOSA-N 0 3 334.332 0.648 20 5 ECBDHN COc1cc(C[NH2+]CCCn2cc(CO)nn2)c([N+](=O)[O-])cc1[O-] ZINC000290020914 437458189 /nfs/dbraw/zinc/45/81/89/437458189.db2.gz ZOQJHRATHCNREL-UHFFFAOYSA-N 0 3 337.336 0.573 20 5 ECBDHN Cc1c(NC(=O)C(=O)NCCN)cc(Br)cc1[N+](=O)[O-] ZINC000415263452 437769984 /nfs/dbraw/zinc/76/99/84/437769984.db2.gz AZADMHUAFKZLFE-UHFFFAOYSA-N 0 3 345.153 0.679 20 5 ECBDHN Nc1nc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000355725096 437727541 /nfs/dbraw/zinc/72/75/41/437727541.db2.gz WSXXXMFAMKKVHA-INIZCTEOSA-N 0 3 344.375 1.016 20 5 ECBDHN COC(=O)[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000373182304 438133770 /nfs/dbraw/zinc/13/37/70/438133770.db2.gz HPWDBGVIDBMHQL-STQMWFEESA-N 0 3 338.364 0.427 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000358041865 438129370 /nfs/dbraw/zinc/12/93/70/438129370.db2.gz GGIVRAZDGTUCDK-INIZCTEOSA-N 0 3 332.360 0.801 20 5 ECBDHN Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358093347 438149870 /nfs/dbraw/zinc/14/98/70/438149870.db2.gz MNNDCDIXYGBBPF-OAHLLOKOSA-N 0 3 336.348 0.025 20 5 ECBDHN N[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccc(F)cc1 ZINC000368422757 438330165 /nfs/dbraw/zinc/33/01/65/438330165.db2.gz RWSOEHOBHHTHSP-KBPBESRZSA-N 0 3 333.323 0.884 20 5 ECBDHN CN1CCC[C@H](N2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)C1 ZINC000378361909 438380740 /nfs/dbraw/zinc/38/07/40/438380740.db2.gz UFAJBSOUAXKTGP-ZDUSSCGKSA-N 0 3 345.407 0.854 20 5 ECBDHN CN(C[C@H]1CCCN1C)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000420630608 438414936 /nfs/dbraw/zinc/41/49/36/438414936.db2.gz FCFTWLHDFZQKSW-LLVKDONJSA-N 0 3 328.394 0.773 20 5 ECBDHN CCc1n[nH]c(C(=O)NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000352367766 438415141 /nfs/dbraw/zinc/41/51/41/438415141.db2.gz QQEZGLDPNOOAJY-UHFFFAOYSA-N 0 3 325.369 0.457 20 5 ECBDHN COc1cc(C[NH2+][C@@H]2CCc3nnnn3CC2)c([N+](=O)[O-])cc1[O-] ZINC000421393891 438485546 /nfs/dbraw/zinc/48/55/46/438485546.db2.gz FJKORAMTFDVLRY-SNVBAGLBSA-N 0 3 334.336 0.790 20 5 ECBDHN Cc1ccc(NC(=O)C(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000441858700 438592993 /nfs/dbraw/zinc/59/29/93/438592993.db2.gz AMVHLYUPSHUUEJ-UHFFFAOYSA-N 0 3 338.364 0.536 20 5 ECBDHN CC(C)(C(=O)NC[C@@H]1CCCN1CCCO)n1cc([N+](=O)[O-])cn1 ZINC000452773855 438672499 /nfs/dbraw/zinc/67/24/99/438672499.db2.gz BSSVTDKZCCWRFV-LBPRGKRZSA-N 0 3 339.396 0.489 20 5 ECBDHN CO[C@]1(CO)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595661089 438841544 /nfs/dbraw/zinc/84/15/44/438841544.db2.gz IAZZIFWLFZUTTA-GDBMZVCRSA-N 0 3 340.376 0.808 20 5 ECBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595735171 438850642 /nfs/dbraw/zinc/85/06/42/438850642.db2.gz DDQCUHJUXOPDLI-CHWSQXEVSA-N 0 3 326.349 0.682 20 5 ECBDHN O=C1CC[C@@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595728767 438851786 /nfs/dbraw/zinc/85/17/86/438851786.db2.gz OQKLYAAOEDLVAY-MCIONIFRSA-N 0 3 349.387 0.935 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590281504 438906999 /nfs/dbraw/zinc/90/69/99/438906999.db2.gz OBLOSYUXCYARMA-GXFFZTMASA-N 0 3 348.359 0.704 20 5 ECBDHN NS(=O)(=O)c1ccc(N2CC[C@@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000596139123 438931308 /nfs/dbraw/zinc/93/13/08/438931308.db2.gz BPGCXLFDBNOZNB-GFCCVEGCSA-N 0 3 338.389 0.693 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1O ZINC000590554651 438932392 /nfs/dbraw/zinc/93/23/92/438932392.db2.gz XXQCKJCOYCCLAG-GJZGRUSLSA-N 0 3 332.360 0.752 20 5 ECBDHN CN1CC[C@H]2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590582784 438934811 /nfs/dbraw/zinc/93/48/11/438934811.db2.gz UQYKOEONBZNNIH-GWCFXTLKSA-N 0 3 340.405 0.773 20 5 ECBDHN N[C@H]1C[C@@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000579129089 438983117 /nfs/dbraw/zinc/98/31/17/438983117.db2.gz DWAXKODINJHQJZ-KGLIPLIRSA-N 0 3 347.375 0.091 20 5 ECBDHN O=C1C[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000565887409 438987397 /nfs/dbraw/zinc/98/73/97/438987397.db2.gz OMFXJQHBHAVHRE-DGCLKSJQSA-N 0 3 335.360 0.687 20 5 ECBDHN NC[C@H](NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000591422731 439013003 /nfs/dbraw/zinc/01/30/03/439013003.db2.gz XMCVZIOZWIADAM-ZDUSSCGKSA-N 0 3 332.360 0.333 20 5 ECBDHN O=C(CCOC1CNC1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000566169718 439017178 /nfs/dbraw/zinc/01/71/78/439017178.db2.gz RWYPLTSGWAPXCC-UHFFFAOYSA-N 0 3 331.332 1.302 20 5 ECBDHN CCS(=O)(=O)C[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520569011 439089995 /nfs/dbraw/zinc/08/99/95/439089995.db2.gz PANQKWBAQIFIKW-AAEUAGOBSA-N 0 3 346.405 0.747 20 5 ECBDHN CNC(=O)c1ccc(N2CN(CCN(C)C)C(=O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000591983995 439126576 /nfs/dbraw/zinc/12/65/76/439126576.db2.gz CSPGKZYVACEUHP-LLVKDONJSA-N 0 3 349.391 0.511 20 5 ECBDHN Cc1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000592303205 439196116 /nfs/dbraw/zinc/19/61/16/439196116.db2.gz NYVYACLNLVABGD-UHFFFAOYSA-N 0 3 331.336 0.683 20 5 ECBDHN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(N2CCNCC2)n[nH]1 ZINC000592303047 439196646 /nfs/dbraw/zinc/19/66/46/439196646.db2.gz CXQCBQUHZGEGSG-UHFFFAOYSA-N 0 3 331.336 0.304 20 5 ECBDHN C[C@@H]1C[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000592363284 439212270 /nfs/dbraw/zinc/21/22/70/439212270.db2.gz VSIJCAGNRHJEGB-MNOVXSKESA-N 0 3 329.378 0.640 20 5 ECBDHN C[C@H]1C[C@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000592363456 439212850 /nfs/dbraw/zinc/21/28/50/439212850.db2.gz ZBNWEDGUSWEOHR-QWRGUYRKSA-N 0 3 329.378 0.640 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1C ZINC000568870061 439283906 /nfs/dbraw/zinc/28/39/06/439283906.db2.gz KTIXXMXNCAXQCH-LBPRGKRZSA-N 0 3 342.421 0.475 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H]2CCS(=O)(=O)C2)c1 ZINC000603495435 439268370 /nfs/dbraw/zinc/26/83/70/439268370.db2.gz YNUQZGGHMGCZFP-YPMHNXCESA-N 0 3 344.389 0.359 20 5 ECBDHN CN(C)CCn1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000604533288 439319179 /nfs/dbraw/zinc/31/91/79/439319179.db2.gz OZLWTJBBQHZZKE-UHFFFAOYSA-N 0 3 334.336 0.153 20 5 ECBDHN N[C@H]1C[C@@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])CCN2C1=O ZINC000569355533 439326199 /nfs/dbraw/zinc/32/61/99/439326199.db2.gz PWSUAILHMQBVGR-PWSUYJOCSA-N 0 3 327.344 0.891 20 5 ECBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000592878887 439294010 /nfs/dbraw/zinc/29/40/10/439294010.db2.gz ICNLEUDMAUBZJR-SECBINFHSA-N 0 3 326.378 0.848 20 5 ECBDHN O=C(CNC[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000582661079 439362858 /nfs/dbraw/zinc/36/28/58/439362858.db2.gz XUFDZLCGKWNTTL-ZDUSSCGKSA-N 0 3 337.376 0.937 20 5 ECBDHN O=C(CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000582661078 439363524 /nfs/dbraw/zinc/36/35/24/439363524.db2.gz XUFDZLCGKWNTTL-CYBMUJFWSA-N 0 3 337.376 0.937 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C[NH3+])CCOCC2)c1C ZINC000599105085 439358059 /nfs/dbraw/zinc/35/80/59/439358059.db2.gz XAVGUUBUPBNBJJ-UHFFFAOYSA-N 0 3 343.405 0.998 20 5 ECBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599251262 439402476 /nfs/dbraw/zinc/40/24/76/439402476.db2.gz DAHQBHNLEILFKK-JTQLQIEISA-N 0 3 331.398 0.433 20 5 ECBDHN O=c1[nH]c(N2CCN3C[C@H](O)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000594603696 439581932 /nfs/dbraw/zinc/58/19/32/439581932.db2.gz LIDVGBVIUMAYJV-WDEREUQCSA-N 0 3 331.332 0.499 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594736732 439598440 /nfs/dbraw/zinc/59/84/40/439598440.db2.gz QWAQQDNGCPNKRR-ZIAGYGMSSA-N 0 3 334.376 0.737 20 5 ECBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000610489304 439621050 /nfs/dbraw/zinc/62/10/50/439621050.db2.gz ZVPURXKUJCTXPP-CYBMUJFWSA-N 0 3 349.391 0.780 20 5 ECBDHN O=C([C@@H]1CN2CCN1CCC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615879871 439808016 /nfs/dbraw/zinc/80/80/16/439808016.db2.gz NALTVYXMQIPEKR-INIZCTEOSA-N 0 3 346.387 0.574 20 5 ECBDHN COC(=O)COc1ccc(CN[C@@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000353770092 321413966 /nfs/dbraw/zinc/41/39/66/321413966.db2.gz REWXROWIQGTCNP-VIFPVBQESA-N 0 3 325.321 0.500 20 5 ECBDHN CN(C)CCN(CCN(C)C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000531118520 322035640 /nfs/dbraw/zinc/03/56/40/322035640.db2.gz NBRQGIUYFRHVSA-UHFFFAOYSA-N 0 3 338.408 0.925 20 5 ECBDHN COc1cnccc1N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000549774848 322163408 /nfs/dbraw/zinc/16/34/08/322163408.db2.gz YGPQPKANKKCVND-UHFFFAOYSA-N 0 3 332.320 0.684 20 5 ECBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCC2(O)CCCC2)c1 ZINC000562988308 322291176 /nfs/dbraw/zinc/29/11/76/322291176.db2.gz XZQVZZNBKGHRJW-UHFFFAOYSA-N 0 3 343.405 0.768 20 5 ECBDHN CN1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000567987134 322608538 /nfs/dbraw/zinc/60/85/38/322608538.db2.gz RJBZEOXONFDCPY-CQSZACIVSA-N 0 3 342.421 0.042 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000573578964 322764223 /nfs/dbraw/zinc/76/42/23/322764223.db2.gz JXDFVEVOUMEBGD-VXGBXAGGSA-N 0 3 333.348 0.679 20 5 ECBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000190084857 533708000 /nfs/dbraw/zinc/70/80/00/533708000.db2.gz MDYYSUIIWQEXOD-CQSZACIVSA-N 0 3 345.421 0.803 20 5 ECBDHN CCc1n[n-]c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000266592817 536001622 /nfs/dbraw/zinc/00/16/22/536001622.db2.gz XVVWVJPXWRPRGK-LLVKDONJSA-N 0 3 337.380 0.675 20 5 ECBDHN Cc1cc(C(=O)N2CCN(CCN(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000749335473 579336713 /nfs/dbraw/zinc/33/67/13/579336713.db2.gz NQPXCJOHQNPODU-UHFFFAOYSA-N 0 3 335.408 0.805 20 5 ECBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000733161176 578333204 /nfs/dbraw/zinc/33/32/04/578333204.db2.gz JOCZDPWYKNPMFI-GFCCVEGCSA-N 0 3 335.408 0.933 20 5 ECBDHN COCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737007645 578473077 /nfs/dbraw/zinc/47/30/77/578473077.db2.gz PDIBFWHIHRAQFP-JTQLQIEISA-N 0 3 333.352 0.908 20 5 ECBDHN COCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737007645 578473078 /nfs/dbraw/zinc/47/30/78/578473078.db2.gz PDIBFWHIHRAQFP-JTQLQIEISA-N 0 3 333.352 0.908 20 5 ECBDHN Cc1c(C(=O)NC[C@@]2(O)CCN(C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000762718070 579546812 /nfs/dbraw/zinc/54/68/12/579546812.db2.gz NTLRZKFTDYCPPO-AWEZNQCLSA-N 0 3 338.320 0.608 20 5 ECBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000808159309 587146423 /nfs/dbraw/zinc/14/64/23/587146423.db2.gz BUFZGNVTJIOLDO-ZIAGYGMSSA-N 0 3 348.403 0.942 20 5 ECBDHN CC(COC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)[N+](=O)[O-] ZINC000813105348 587248039 /nfs/dbraw/zinc/24/80/39/587248039.db2.gz XSMNAZBKEPUTRS-SVDPJWKOSA-N 0 3 331.394 0.921 20 5 ECBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)N(C)C ZINC000813108028 587248372 /nfs/dbraw/zinc/24/83/72/587248372.db2.gz UCISRQPJZYBSHT-VIFPVBQESA-N 0 3 346.361 0.768 20 5 ECBDHN CC(COC(=O)CCNS(=O)(=O)c1ccccc1F)[N+](=O)[O-] ZINC000813105380 587248440 /nfs/dbraw/zinc/24/84/40/587248440.db2.gz YIQZGGFNERAMGW-VIFPVBQESA-N 0 3 334.325 0.703 20 5 ECBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819207551 587472088 /nfs/dbraw/zinc/47/20/88/587472088.db2.gz JWZQYNSNLKOVJQ-ZNMIVQPWSA-N 0 3 337.376 0.854 20 5 ECBDHN O=[N+]([O-])c1ccc2cnn(Cc3nc(N4CCNCC4)no3)c2c1 ZINC000823316504 587715943 /nfs/dbraw/zinc/71/59/43/587715943.db2.gz XPEMZCYNESCHHF-UHFFFAOYSA-N 0 3 329.320 0.785 20 5 ECBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCN1CC[C@H](O)C1 ZINC000827749758 588138853 /nfs/dbraw/zinc/13/88/53/588138853.db2.gz OYRJVEQQCMIHDR-ZDUSSCGKSA-N 0 3 325.340 0.849 20 5 ECBDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000867811221 589847155 /nfs/dbraw/zinc/84/71/55/589847155.db2.gz AWUNUWBYCYMTFB-MNOVXSKESA-N 0 3 326.378 0.705 20 5 ECBDHN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccncc1 ZINC000881636901 590462930 /nfs/dbraw/zinc/46/29/30/590462930.db2.gz RBDMBGHLKGZFLX-LBPRGKRZSA-N 0 3 330.348 0.924 20 5 ECBDHN O=[N+]([O-])c1cccc(N2CCN(S(=O)(=O)C3CNC3)CC2)c1 ZINC000923588323 611270079 /nfs/dbraw/zinc/27/00/79/611270079.db2.gz CDNBWGRCAIWOOZ-UHFFFAOYSA-N 0 3 326.378 0.018 20 5 ECBDHN CC(C)c1nnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000983648879 744993034 /nfs/dbraw/zinc/99/30/34/744993034.db2.gz KWIRHRUBCMRXOC-DDHJBXDOSA-N 0 3 337.380 0.843 20 5 ECBDHN Cc1cc(C(=O)N2CCC(CN(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n[nH]1 ZINC000988464034 752143942 /nfs/dbraw/zinc/14/39/42/752143942.db2.gz DJDDTECLXLHKNH-TZMCWYRMSA-N 0 3 349.391 0.694 20 5 ECBDHN O=C(Cc1nc[nH]n1)N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001020903624 752314869 /nfs/dbraw/zinc/31/48/69/752314869.db2.gz BNHJTIRKLKHXHM-MGCOHNPYSA-N 0 3 336.377 0.754 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)Cc2ccon2)CC1 ZINC000990435681 755172955 /nfs/dbraw/zinc/17/29/55/755172955.db2.gz QFFVFYAXCASPGF-UHFFFAOYSA-N 0 3 348.363 0.640 20 5 ECBDHN Cc1n[nH]c(C(C)C)c1C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011115521 756953561 /nfs/dbraw/zinc/95/35/61/756953561.db2.gz IVIXKUQHQUJPGW-VXGBXAGGSA-N 0 3 349.391 0.791 20 5 ECBDHN CCc1nnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001022064090 758227343 /nfs/dbraw/zinc/22/73/43/758227343.db2.gz VSBBDTKWPREKPW-UTINFBMNSA-N 0 3 325.394 0.503 20 5 ECBDHN Cc1cc(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)n[nH]1 ZINC001018837708 770054868 /nfs/dbraw/zinc/05/48/68/770054868.db2.gz KVFLLXVDOWEOGO-ZYHUDNBSSA-N 0 3 333.348 0.058 20 5 ECBDHN O=C(Cn1ncnn1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020156699 772227165 /nfs/dbraw/zinc/22/71/65/772227165.db2.gz WWLKCVXBMLPGNL-HAQNSBGRSA-N 0 3 331.336 0.018 20 5 ECBDHN COCC(C)(C)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000425504445 210064771 /nfs/dbraw/zinc/06/47/71/210064771.db2.gz LSKXGTWFZLTYRH-CQSZACIVSA-N 0 3 341.412 0.195 20 5 ECBDHN Cc1cc(C(=O)NCC(=O)N2CCN[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000423606335 209777558 /nfs/dbraw/zinc/77/75/58/209777558.db2.gz KCOFPSOUTDTOFL-NEPJUHHUSA-N 0 3 334.376 0.842 20 5 ECBDHN C[C@H](O)CN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000189710901 237168669 /nfs/dbraw/zinc/16/86/69/237168669.db2.gz IKFGJIGKWYTBDO-JTQLQIEISA-N 0 3 333.348 0.610 20 5 ECBDHN NC[C@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000420055418 209292376 /nfs/dbraw/zinc/29/23/76/209292376.db2.gz GQWLPJVYCJIPCL-AWEZNQCLSA-N 0 3 346.387 0.939 20 5 ECBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000356346657 299380303 /nfs/dbraw/zinc/38/03/03/299380303.db2.gz NFGSWCSLVLUMOO-WDEREUQCSA-N 0 3 330.348 0.998 20 5 ECBDHN COCCN(CCN(C)C)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000264155131 246118889 /nfs/dbraw/zinc/11/88/89/246118889.db2.gz HUTGYFWZZGUHIV-UHFFFAOYSA-N 0 3 341.412 0.835 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(Cn2ccnn2)CC1 ZINC000090589305 217942047 /nfs/dbraw/zinc/94/20/47/217942047.db2.gz BMBRLZGDAHZZCD-UHFFFAOYSA-N 0 3 332.364 0.760 20 5 ECBDHN Cc1nn(C)c(C(=O)NC[C@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267382951 251004936 /nfs/dbraw/zinc/00/49/36/251004936.db2.gz ZPTWNOLUWCXCKW-CYBMUJFWSA-N 0 3 327.410 0.804 20 5 ECBDHN CN(C)C(=O)[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411956205 208180134 /nfs/dbraw/zinc/18/01/34/208180134.db2.gz RCKLCJPIZQFQLG-OLZOCXBDSA-N 0 3 337.376 0.745 20 5 ECBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@@H](CN)C2CC2)cc1[N+](=O)[O-] ZINC000419271391 209047434 /nfs/dbraw/zinc/04/74/34/209047434.db2.gz ONYLDJNMEFESFG-MFKMUULPSA-N 0 3 334.376 0.934 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)NCCCN1CCC(O)CC1 ZINC000118723229 221174767 /nfs/dbraw/zinc/17/47/67/221174767.db2.gz VSRKHHPNAVIKLO-UHFFFAOYSA-N 0 3 337.376 0.937 20 5 ECBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000247127362 165153449 /nfs/dbraw/zinc/15/34/49/165153449.db2.gz NHYIYPOUDXUZQO-JSGCOSHPSA-N 0 3 334.376 0.699 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCN(c3ccccn3)CC2)c1 ZINC000248888043 165189216 /nfs/dbraw/zinc/18/92/16/165189216.db2.gz RIALZZBCICBCKI-OAHLLOKOSA-N 0 3 346.391 0.760 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(C2CCCC2)CC1 ZINC000299535246 296869120 /nfs/dbraw/zinc/86/91/20/296869120.db2.gz SKZYUTLVWOYFOE-UHFFFAOYSA-N 0 3 334.376 0.843 20 5 ECBDHN CNC(=O)[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000182424939 263157221 /nfs/dbraw/zinc/15/72/21/263157221.db2.gz GTQLOFQUNIYSRH-RISCZKNCSA-N 0 3 325.365 0.695 20 5 ECBDHN COC(=O)CC1(NCCn2cc([N+](=O)[O-])ccc2=O)CCOCC1 ZINC000270594801 263255112 /nfs/dbraw/zinc/25/51/12/263255112.db2.gz UPAJMMGAJRHGNI-UHFFFAOYSA-N 0 3 339.348 0.458 20 5 ECBDHN CC(C)(C)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000330715310 437597867 /nfs/dbraw/zinc/59/78/67/437597867.db2.gz SNCFVPFQHBSALB-MJBXVCDLSA-N 0 3 326.397 0.881 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](O)CN2CCC(C)CC2)n1 ZINC000427614159 288711220 /nfs/dbraw/zinc/71/12/20/288711220.db2.gz VVPWPWGUWDAAQM-GFCCVEGCSA-N 0 3 339.396 0.634 20 5 ECBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1N(C)C ZINC000330817375 437622775 /nfs/dbraw/zinc/62/27/75/437622775.db2.gz CENDEBDJCKUSDN-MNOVXSKESA-N 0 3 325.394 0.690 20 5 ECBDHN COC(=O)CNC(=O)c1ccc(N[C@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000343791478 297932327 /nfs/dbraw/zinc/93/23/27/297932327.db2.gz MJKKMCNEPJFEMK-SNVBAGLBSA-N 0 3 338.364 0.860 20 5 ECBDHN CCN1CCN(C[C@H](C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000345402142 298151824 /nfs/dbraw/zinc/15/18/24/298151824.db2.gz HTVTWPPGXUSABQ-GFCCVEGCSA-N 0 3 338.412 0.332 20 5 ECBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)CN(C)C ZINC000346219034 298239401 /nfs/dbraw/zinc/23/94/01/298239401.db2.gz JMYAISCVLSFSNF-GXSJLCMTSA-N 0 3 326.401 0.894 20 5 ECBDHN C[C@@H](CN(C)C)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000346265970 298246192 /nfs/dbraw/zinc/24/61/92/298246192.db2.gz OJVQKTLZXRIALN-JTQLQIEISA-N 0 3 336.348 0.387 20 5 ECBDHN C[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000347605116 298474035 /nfs/dbraw/zinc/47/40/35/298474035.db2.gz IYYCBPRGBUNBBB-LURJTMIESA-N 0 3 338.183 0.983 20 5 ECBDHN Cn1cc(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(=O)n(C)c1=O ZINC000364338262 300346961 /nfs/dbraw/zinc/34/69/61/300346961.db2.gz PGVUSJUPPJMPBK-LBPRGKRZSA-N 0 3 348.363 0.026 20 5 ECBDHN CN(C)CCN1C[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])CC1=O ZINC000074067107 436102522 /nfs/dbraw/zinc/10/25/22/436102522.db2.gz FUHFEUFVOJJDSP-CQSZACIVSA-N 0 3 348.403 0.664 20 5 ECBDHN CN(C)CCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000371851721 300948952 /nfs/dbraw/zinc/94/89/52/300948952.db2.gz BZWADMZFJVNCHX-UHFFFAOYSA-N 0 3 335.408 0.887 20 5 ECBDHN O=C(NC[C@H]1CNCCO1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000423994332 301468784 /nfs/dbraw/zinc/46/87/84/301468784.db2.gz SEDMYICSZCEUFG-CYBMUJFWSA-N 0 3 334.376 0.913 20 5 ECBDHN CN1CCC[C@@H](CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000091482883 436451243 /nfs/dbraw/zinc/45/12/43/436451243.db2.gz FVHVBDMLPJEDRK-JTQLQIEISA-N 0 3 328.394 0.996 20 5 ECBDHN CN(C)[C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000109124099 436623153 /nfs/dbraw/zinc/62/31/53/436623153.db2.gz LNKIUSXICYWUFE-CYBMUJFWSA-N 0 3 330.348 0.952 20 5 ECBDHN CN(C)C(=O)C(C)(C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544071294 302220971 /nfs/dbraw/zinc/22/09/71/302220971.db2.gz GFPZYWPULMHVCN-NSHDSACASA-N 0 3 325.365 0.791 20 5 ECBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@]1(O)CN2CCC1CC2 ZINC000556852033 302452903 /nfs/dbraw/zinc/45/29/03/302452903.db2.gz ZXYCMIFGDJYKJL-MRXNPFEDSA-N 0 3 335.360 0.547 20 5 ECBDHN C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000068065011 436732506 /nfs/dbraw/zinc/73/25/06/436732506.db2.gz IBKSYVUAGXMPAE-LBPRGKRZSA-N 0 3 334.376 0.925 20 5 ECBDHN COCCCN(C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000152520816 436732567 /nfs/dbraw/zinc/73/25/67/436732567.db2.gz NRRCAPHJVZDJAP-UHFFFAOYSA-N 0 3 327.385 0.611 20 5 ECBDHN CN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000124877163 436758730 /nfs/dbraw/zinc/75/87/30/436758730.db2.gz MMZLYXOBTKQGHF-UHFFFAOYSA-N 0 3 337.380 0.453 20 5 ECBDHN CC(C)NC(=O)NC(=O)C(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000279994815 436855571 /nfs/dbraw/zinc/85/55/71/436855571.db2.gz RMUQXQZOTFRKHS-VIFPVBQESA-N 0 3 343.361 0.991 20 5 ECBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)c1C ZINC000161510738 436892153 /nfs/dbraw/zinc/89/21/53/436892153.db2.gz CVDKZLKUQNEKOO-CQSZACIVSA-N 0 3 345.421 0.803 20 5 ECBDHN CC(C)[C@H](N)C(=O)NCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000262160176 436910446 /nfs/dbraw/zinc/91/04/46/436910446.db2.gz PTRASJNQSYIURG-AWEZNQCLSA-N 0 3 337.380 0.222 20 5 ECBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCCNS(=O)(=O)N(C)C ZINC000298064050 437022885 /nfs/dbraw/zinc/02/28/85/437022885.db2.gz KJILTLKSNAPYDI-LBPRGKRZSA-N 0 3 344.437 0.902 20 5 ECBDHN CN1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1(C)C ZINC000281662200 436988052 /nfs/dbraw/zinc/98/80/52/436988052.db2.gz CJUFEGQRHFUVRW-UHFFFAOYSA-N 0 3 335.408 0.933 20 5 ECBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(CCCO)C1 ZINC000296350367 436990333 /nfs/dbraw/zinc/99/03/33/436990333.db2.gz DVAZFLCLHFAMJN-CYBMUJFWSA-N 0 3 336.392 0.970 20 5 ECBDHN CCN1CCN([C@H](C)CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301083354 437112785 /nfs/dbraw/zinc/11/27/85/437112785.db2.gz HFYFUOLZZKJILD-LLVKDONJSA-N 0 3 336.396 0.527 20 5 ECBDHN CN1CCC[C@H](CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000302086491 437139803 /nfs/dbraw/zinc/13/98/03/437139803.db2.gz KTSQSASEAKAQIH-SNVBAGLBSA-N 0 3 328.394 0.996 20 5 ECBDHN CN(C)CCOCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000318564778 437198621 /nfs/dbraw/zinc/19/86/21/437198621.db2.gz MQPQFCLFIMARQJ-UHFFFAOYSA-N 0 3 331.394 0.988 20 5 ECBDHN COCCCN(C)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000266175632 437220923 /nfs/dbraw/zinc/22/09/23/437220923.db2.gz WEHQHSVMEREEEY-UHFFFAOYSA-N 0 3 341.412 0.883 20 5 ECBDHN NC(=O)CC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182213788 437341083 /nfs/dbraw/zinc/34/10/83/437341083.db2.gz IPZBPUGLKMHRFJ-ZDUSSCGKSA-N 0 3 337.376 0.922 20 5 ECBDHN COC(=O)CC[C@@H](N)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000288728416 437349115 /nfs/dbraw/zinc/34/91/15/437349115.db2.gz LDBGLQRMTMQPHD-LLVKDONJSA-N 0 3 339.304 0.600 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000192916735 437697082 /nfs/dbraw/zinc/69/70/82/437697082.db2.gz UOPRONIKELWZFL-PHIMTYICSA-N 0 3 341.389 0.786 20 5 ECBDHN Cn1cc(C(=O)NC[C@H]2CNCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423990488 437871178 /nfs/dbraw/zinc/87/11/78/437871178.db2.gz KHBUJTKFWNLZRU-CYBMUJFWSA-N 0 3 345.359 0.714 20 5 ECBDHN Cc1c(NC(=O)C(=O)N2CCOC3(CNC3)C2)cccc1[N+](=O)[O-] ZINC000415895929 437878092 /nfs/dbraw/zinc/87/80/92/437878092.db2.gz QHOODOCDGSQGDN-UHFFFAOYSA-N 0 3 334.332 0.043 20 5 ECBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CCN(C)CC1 ZINC000371341311 437921942 /nfs/dbraw/zinc/92/19/42/437921942.db2.gz NCORBFBJNXMXCC-ZBFHGGJFSA-N 0 3 336.440 0.749 20 5 ECBDHN COc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2CN)cc1[N+](=O)[O-] ZINC000418933704 438254678 /nfs/dbraw/zinc/25/46/78/438254678.db2.gz IVIKFYGKHMKBQH-LLVKDONJSA-N 0 3 336.348 0.169 20 5 ECBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000378314705 438375208 /nfs/dbraw/zinc/37/52/08/438375208.db2.gz LDJZKJYBCUGFER-WOPDTQHZSA-N 0 3 337.380 0.937 20 5 ECBDHN O=C(CCN1CCN2CCOC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000368816824 438382600 /nfs/dbraw/zinc/38/26/00/438382600.db2.gz LCEWARPIRQNSKC-CYBMUJFWSA-N 0 3 334.376 0.940 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@@H]2Cn2cccn2)c1 ZINC000369782038 438513351 /nfs/dbraw/zinc/51/33/51/438513351.db2.gz KZFPAZDMCSBARE-HIFRSBDPSA-N 0 3 334.380 0.903 20 5 ECBDHN COC(=O)COc1ccc(CNCCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000353774106 438534500 /nfs/dbraw/zinc/53/45/00/438534500.db2.gz YICKCMYLCXUOSC-UHFFFAOYSA-N 0 3 335.320 0.597 20 5 ECBDHN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000440412608 438550472 /nfs/dbraw/zinc/55/04/72/438550472.db2.gz GAZMPKAPQBPJJN-SECBINFHSA-N 0 3 345.377 0.628 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000493111000 438605768 /nfs/dbraw/zinc/60/57/68/438605768.db2.gz AZJSMRDOZNCGDV-JQSFKPKSSA-N 0 3 330.344 0.378 20 5 ECBDHN C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000493280909 438614889 /nfs/dbraw/zinc/61/48/89/438614889.db2.gz BWFAEOZHUICIBE-BCPZQOPPSA-N 0 3 334.376 0.791 20 5 ECBDHN CN1CCC[C@@H]1CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000454623793 438723041 /nfs/dbraw/zinc/72/30/41/438723041.db2.gz CWXZTYNHSJGUKS-CYBMUJFWSA-N 0 3 348.407 0.916 20 5 ECBDHN COC(=O)CC[C@H](N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000576461738 438784751 /nfs/dbraw/zinc/78/47/51/438784751.db2.gz ILNJESYVEPCNTH-LBPRGKRZSA-N 0 3 325.321 0.370 20 5 ECBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860513 438844468 /nfs/dbraw/zinc/84/44/68/438844468.db2.gz GQLATMNAEPZCRC-UONOGXRCSA-N 0 3 335.360 0.641 20 5 ECBDHN COc1ccc(NC(=O)C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590279219 438905726 /nfs/dbraw/zinc/90/57/26/438905726.db2.gz ANJXTRRGJPZLPF-GWCFXTLKSA-N 0 3 348.359 0.704 20 5 ECBDHN COc1cccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000578336508 438915686 /nfs/dbraw/zinc/91/56/86/438915686.db2.gz IKEIVNSNEKHGLJ-SNVBAGLBSA-N 0 3 338.364 0.400 20 5 ECBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(=O)N1CCNCC1 ZINC000591577154 439024003 /nfs/dbraw/zinc/02/40/03/439024003.db2.gz RBQNAMYFEDXKTN-GFCCVEGCSA-N 0 3 349.391 0.333 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCc2nnc3n2CCC3)c1 ZINC000591727811 439076961 /nfs/dbraw/zinc/07/69/61/439076961.db2.gz VFOJILWYYHEMJU-ZDUSSCGKSA-N 0 3 347.375 0.705 20 5 ECBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000591756693 439080529 /nfs/dbraw/zinc/08/05/29/439080529.db2.gz QBZGWZODDIEGAW-JGGQBBKZSA-N 0 3 339.392 0.643 20 5 ECBDHN CC(C)(C)N1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000521613705 439125437 /nfs/dbraw/zinc/12/54/37/439125437.db2.gz YAKDJRPUEUWLJC-ZYHUDNBSSA-N 0 3 325.369 0.141 20 5 ECBDHN COc1cccc(C(=O)N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000597694506 439161068 /nfs/dbraw/zinc/16/10/68/439161068.db2.gz KNMKNYDAUYUTPV-UHFFFAOYSA-N 0 3 348.403 0.923 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCc1nnc2n1CCC2 ZINC000567679359 439163667 /nfs/dbraw/zinc/16/36/67/439163667.db2.gz UJXATAJVYAHZOM-GFCCVEGCSA-N 0 3 347.375 0.705 20 5 ECBDHN CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCCO ZINC000592430966 439227143 /nfs/dbraw/zinc/22/71/43/439227143.db2.gz UMSPRFBHVWMFTM-UHFFFAOYSA-N 0 3 346.405 0.746 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](O)[C@H]2CCOC2)cc1 ZINC000592431075 439227202 /nfs/dbraw/zinc/22/72/02/439227202.db2.gz LCZIUNLWOGWNFB-FZMZJTMJSA-N 0 3 344.389 0.356 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000598183888 439236373 /nfs/dbraw/zinc/23/63/73/439236373.db2.gz BNDDPJVTEYFVTC-UHFFFAOYSA-N 0 3 336.392 0.995 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000598187594 439237788 /nfs/dbraw/zinc/23/77/88/439237788.db2.gz QJWNIGWPWNFYFY-UHFFFAOYSA-N 0 3 337.380 0.269 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000598184634 439238592 /nfs/dbraw/zinc/23/85/92/439238592.db2.gz GASMEBLIRBBTIJ-UHFFFAOYSA-N 0 3 340.355 0.826 20 5 ECBDHN O=C(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)NCCN1CCCCCC1 ZINC000568665449 439269576 /nfs/dbraw/zinc/26/95/76/439269576.db2.gz HJUJCHAOYAPFBX-UHFFFAOYSA-N 0 3 337.380 0.645 20 5 ECBDHN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCCN1CCCC1 ZINC000598894490 439322567 /nfs/dbraw/zinc/32/25/67/439322567.db2.gz MIFJFKVFDQXIQW-UHFFFAOYSA-N 0 3 335.364 0.928 20 5 ECBDHN N[C@H]1C[C@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000569943148 439378692 /nfs/dbraw/zinc/37/86/92/439378692.db2.gz VSUFOHGRTOQECM-KBPBESRZSA-N 0 3 347.375 0.091 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)n1 ZINC000599263816 439407097 /nfs/dbraw/zinc/40/70/97/439407097.db2.gz RTIUCWKJGGJTSC-WDEREUQCSA-N 0 3 343.409 0.433 20 5 ECBDHN CSC[C@@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570443798 439420363 /nfs/dbraw/zinc/42/03/63/439420363.db2.gz BKDHSAOKLKPGSV-NSHDSACASA-N 0 3 349.434 0.187 20 5 ECBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027055 439509242 /nfs/dbraw/zinc/50/92/42/439509242.db2.gz LARFDEZFINTTIA-FRRDWIJNSA-N 0 3 334.376 0.673 20 5 ECBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000609132118 439551449 /nfs/dbraw/zinc/55/14/49/439551449.db2.gz XIMYYZQWRJEIGC-UHFFFAOYSA-N 0 3 349.391 0.314 20 5 ECBDHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760238 439604071 /nfs/dbraw/zinc/60/40/71/439604071.db2.gz PAEUHVPQUNPNJD-UHFFFAOYSA-N 0 3 345.425 0.104 20 5 ECBDHN COc1ccc(CNC[C@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000594974933 439644831 /nfs/dbraw/zinc/64/48/31/439644831.db2.gz OAKCRRZWYAXLKZ-OAHLLOKOSA-N 0 3 326.349 0.861 20 5 ECBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595120551 439655428 /nfs/dbraw/zinc/65/54/28/439655428.db2.gz HTSLIWBCAZBNQC-NXEZZACHSA-N 0 3 333.341 0.663 20 5 ECBDHN C[C@@H](CN1CCCC1=O)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574552262 439712659 /nfs/dbraw/zinc/71/26/59/439712659.db2.gz YSZBRMZAIYQCGG-QWHCGFSZSA-N 0 3 337.376 0.935 20 5 ECBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](C)N(C)C ZINC000344654256 321159113 /nfs/dbraw/zinc/15/91/13/321159113.db2.gz LLFMPQXYVMKIAQ-MWLCHTKSSA-N 0 3 326.401 0.894 20 5 ECBDHN CC(C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000345557300 321193659 /nfs/dbraw/zinc/19/36/59/321193659.db2.gz GRRXJBLCDSIOCJ-NXEZZACHSA-N 0 3 342.377 0.436 20 5 ECBDHN C[C@H]1C[C@H]1N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1 ZINC000346164744 321217139 /nfs/dbraw/zinc/21/71/39/321217139.db2.gz QAWIUHAFRMWNSM-KCQAQPDRSA-N 0 3 348.403 0.945 20 5 ECBDHN C[C@@H]1CN(C)C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349684497 321312844 /nfs/dbraw/zinc/31/28/44/321312844.db2.gz KLXYZEPJDBIRAE-BXUZGUMPSA-N 0 3 327.406 0.908 20 5 ECBDHN CN(C)C[C@H](O)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353504160 321395972 /nfs/dbraw/zinc/39/59/72/321395972.db2.gz QKEYAMKXGJGLLJ-HUUCEWRRSA-N 0 3 333.392 0.930 20 5 ECBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567521143 322586633 /nfs/dbraw/zinc/58/66/33/322586633.db2.gz RJWAWHQWKCIYIP-JQWIXIFHSA-N 0 3 348.359 0.438 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567754043 322596162 /nfs/dbraw/zinc/59/61/62/322596162.db2.gz PBJFUJOJIXUOCP-MNOVXSKESA-N 0 3 349.347 0.379 20 5 ECBDHN CSC[C@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570443797 322687826 /nfs/dbraw/zinc/68/78/26/322687826.db2.gz BKDHSAOKLKPGSV-LLVKDONJSA-N 0 3 349.434 0.187 20 5 ECBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000571344931 322718479 /nfs/dbraw/zinc/71/84/79/322718479.db2.gz XWEWYTGCMWZQNA-VXGBXAGGSA-N 0 3 338.751 0.632 20 5 ECBDHN COc1cccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)c1[N+](=O)[O-] ZINC000576516103 322808813 /nfs/dbraw/zinc/80/88/13/322808813.db2.gz IPPYHGPXLOIKGW-UHFFFAOYSA-N 0 3 347.335 0.383 20 5 ECBDHN O=C(NCCNC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000578880521 322878549 /nfs/dbraw/zinc/87/85/49/322878549.db2.gz HFNVVKCTHLZVPQ-LBPRGKRZSA-N 0 3 349.343 0.947 20 5 ECBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000579613622 322902192 /nfs/dbraw/zinc/90/21/92/322902192.db2.gz WIRXBVUYKQDOGP-GHMZBOCLSA-N 0 3 334.332 0.130 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000762721806 579547008 /nfs/dbraw/zinc/54/70/08/579547008.db2.gz OCKRFVGCPMETNS-QGZVFWFLSA-N 0 3 348.403 0.991 20 5 ECBDHN O=[N+]([O-])c1cnc(NC2CC[NH+](CCO)CC2)c(-c2nnn[n-]2)c1 ZINC000738369351 579624720 /nfs/dbraw/zinc/62/47/20/579624720.db2.gz LOEZFCVETJSBGA-UHFFFAOYSA-N 0 3 334.340 0.039 20 5 ECBDHN Cc1cc(NC[C@@H]2CC(C(N)=O)=NO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000808042961 587142552 /nfs/dbraw/zinc/14/25/52/587142552.db2.gz DPQDUVZIYBOYML-JTQLQIEISA-N 0 3 329.316 0.915 20 5 ECBDHN COCCN1CCC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825709177 587957197 /nfs/dbraw/zinc/95/71/97/587957197.db2.gz QOYGJRIQIAJXKP-GJZGRUSLSA-N 0 3 337.376 0.855 20 5 ECBDHN CN(C)CCN1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1=O ZINC000845629072 589165933 /nfs/dbraw/zinc/16/59/33/589165933.db2.gz HDGWUSHTYZLXQH-UHFFFAOYSA-N 0 3 337.336 0.713 20 5 ECBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000854465165 589587751 /nfs/dbraw/zinc/58/77/51/589587751.db2.gz OTQLUESXZAUXKZ-VIFPVBQESA-N 0 3 328.344 0.452 20 5 ECBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000854467938 589588425 /nfs/dbraw/zinc/58/84/25/589588425.db2.gz MFIZFMAXUAUKFQ-SNVBAGLBSA-N 0 3 326.309 0.464 20 5 ECBDHN C[C@H](NC[C@]12COCCN1C(=O)COC2)c1ccc([N+](=O)[O-])cc1 ZINC000866556024 589750717 /nfs/dbraw/zinc/75/07/17/589750717.db2.gz PPTSFSPPUVJMTM-BLLLJJGKSA-N 0 3 335.360 0.873 20 5 ECBDHN CN1C(=O)[C@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]2C1=O ZINC000879531811 590319389 /nfs/dbraw/zinc/31/93/89/590319389.db2.gz LVQDHMFGTWOAAW-OKILXGFUSA-N 0 3 333.344 0.910 20 5 ECBDHN CN(C(=O)c1cccc2c[nH]nc21)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954945833 612807242 /nfs/dbraw/zinc/80/72/42/612807242.db2.gz VPNRQZRBGVNYBJ-CHWSQXEVSA-N 0 3 343.343 0.511 20 5 ECBDHN CNC(=O)CN1CCCC12CCN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001164686066 719715623 /nfs/dbraw/zinc/71/56/23/719715623.db2.gz WQZNCFINQKJXLB-UHFFFAOYSA-N 0 3 348.407 0.874 20 5 ECBDHN CN(C)c1ccncc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974115430 740957724 /nfs/dbraw/zinc/95/77/24/740957724.db2.gz QCZWXWKHHREPPZ-FBKDDSFISA-N 0 3 347.375 0.190 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)c2nc[n-]n2)CC1 ZINC000998163517 744020332 /nfs/dbraw/zinc/02/03/32/744020332.db2.gz MZUUALJAFPLTJT-UHFFFAOYSA-N 0 3 348.367 0.088 20 5 ECBDHN CN(CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001112164855 746018916 /nfs/dbraw/zinc/01/89/16/746018916.db2.gz NFQWJSMTGLBLJH-UHFFFAOYSA-N 0 3 339.396 0.932 20 5 ECBDHN CN(C)C1(C(=O)NC/C=C\CNc2ncc([N+](=O)[O-])c(N)n2)CCC1 ZINC001107379389 758420856 /nfs/dbraw/zinc/42/08/56/758420856.db2.gz HHPOHNWKOUZGEP-ARJAWSKDSA-N 0 3 349.395 0.536 20 5 ECBDHN CNC(=O)c1ccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174693334 529937366 /nfs/dbraw/zinc/93/73/66/529937366.db2.gz GJYGYWPHCGRHNP-OAHLLOKOSA-N 0 3 347.375 0.644 20 5 ECBDHN CCN1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)[C@@H]2C1 ZINC000355345227 299241830 /nfs/dbraw/zinc/24/18/30/299241830.db2.gz MZWPJADGNPZICV-CHWSQXEVSA-N 0 3 337.380 0.421 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000355943055 299323207 /nfs/dbraw/zinc/32/32/07/299323207.db2.gz OHAJYGCJXYOXRJ-UHFFFAOYSA-N 0 3 336.396 0.068 20 5 ECBDHN CCN(C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000111661369 220177117 /nfs/dbraw/zinc/17/71/17/220177117.db2.gz DSHGCCPDBLDWAV-NSHDSACASA-N 0 3 338.364 0.860 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450622536 211336239 /nfs/dbraw/zinc/33/62/39/211336239.db2.gz KDLHKIIUMKZGRR-MRXNPFEDSA-N 0 3 345.359 0.577 20 5 ECBDHN COC[C@@H]1C[C@H](O)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000411914190 208169213 /nfs/dbraw/zinc/16/92/13/208169213.db2.gz STSSMLYGZWSPLB-AVGNSLFASA-N 0 3 326.349 0.416 20 5 ECBDHN CN(C)C(=O)[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411950534 208177071 /nfs/dbraw/zinc/17/70/71/208177071.db2.gz WRJLERQURDSRFL-GXTWGEPZSA-N 0 3 337.376 0.745 20 5 ECBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC000420464296 292087522 /nfs/dbraw/zinc/08/75/22/292087522.db2.gz XLEHOLQZIJVXIJ-LBPRGKRZSA-N 0 3 343.405 0.868 20 5 ECBDHN COCCOC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075747319 296618961 /nfs/dbraw/zinc/61/89/61/296618961.db2.gz GSCUMUOTKKKPJV-CYBMUJFWSA-N 0 3 328.369 0.280 20 5 ECBDHN CNc1nccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000516978172 421220927 /nfs/dbraw/zinc/22/09/27/421220927.db2.gz AEFKMEJMBYCCGS-OAHLLOKOSA-N 0 3 335.364 0.218 20 5 ECBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269888228 263210697 /nfs/dbraw/zinc/21/06/97/263210697.db2.gz KAEYOMBHXRZGLO-HNNXBMFYSA-N 0 3 339.348 0.408 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@](C)(O)CN(C)C ZINC000269944217 263214020 /nfs/dbraw/zinc/21/40/20/263214020.db2.gz WQPQAAZKUYPXKA-OAHLLOKOSA-N 0 3 340.380 0.715 20 5 ECBDHN COCC1(O)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273195211 263402298 /nfs/dbraw/zinc/40/22/98/263402298.db2.gz RUFCJURWHZFNFU-CYBMUJFWSA-N 0 3 340.376 0.808 20 5 ECBDHN CN1CC[C@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284965523 264263611 /nfs/dbraw/zinc/26/36/11/264263611.db2.gz WSEWLLSSSBRMHG-LSDHHAIUSA-N 0 3 334.376 0.599 20 5 ECBDHN CCN(CCO)CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294992504 265038640 /nfs/dbraw/zinc/03/86/40/265038640.db2.gz NEUQBMBCLGKCTF-UHFFFAOYSA-N 0 3 329.328 0.787 20 5 ECBDHN Cn1c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000343470581 297883290 /nfs/dbraw/zinc/88/32/90/297883290.db2.gz LIZALWLJNXUVNY-UHFFFAOYSA-N 0 3 349.391 0.314 20 5 ECBDHN O=C(CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000375402263 301172360 /nfs/dbraw/zinc/17/23/60/301172360.db2.gz JEEPTBLTXSJSLQ-CYBMUJFWSA-N 0 3 337.380 0.677 20 5 ECBDHN CN1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000091482584 436450512 /nfs/dbraw/zinc/45/05/12/436450512.db2.gz AWZHLAJQTTVVLQ-SNVBAGLBSA-N 0 3 328.394 0.996 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000128092017 436811098 /nfs/dbraw/zinc/81/10/98/436811098.db2.gz QNAUVKJMMXVQIY-LBPRGKRZSA-N 0 3 338.412 0.099 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)C[C@H]1CO ZINC000274060524 436796759 /nfs/dbraw/zinc/79/67/59/436796759.db2.gz ABKVLCRCMTXFQJ-RYUDHWBXSA-N 0 3 339.348 0.360 20 5 ECBDHN CCN(CCO)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274673476 436858373 /nfs/dbraw/zinc/85/83/73/436858373.db2.gz PSJJNUQNWOFLSO-UHFFFAOYSA-N 0 3 340.380 0.717 20 5 ECBDHN CCN1CC[C@H]2OCCN(CCn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000293386672 436871968 /nfs/dbraw/zinc/87/19/68/436871968.db2.gz WRAFSMSSKZBNSP-LSDHHAIUSA-N 0 3 336.392 0.552 20 5 ECBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000171129517 436967867 /nfs/dbraw/zinc/96/78/67/436967867.db2.gz ZAKZGFQZCKCFIL-UHFFFAOYSA-N 0 3 326.309 0.811 20 5 ECBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(CCCO)C1 ZINC000295603936 436973932 /nfs/dbraw/zinc/97/39/32/436973932.db2.gz XHEIWHNZQWPEMA-ZDUSSCGKSA-N 0 3 337.376 0.937 20 5 ECBDHN CCCNC(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173472389 437052953 /nfs/dbraw/zinc/05/29/53/437052953.db2.gz RWJFKZKJMMSLBG-AWEZNQCLSA-N 0 3 339.396 0.390 20 5 ECBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331679371 437143112 /nfs/dbraw/zinc/14/31/12/437143112.db2.gz SHVNCZHSZWHZAS-KGLIPLIRSA-N 0 3 346.387 0.988 20 5 ECBDHN CN(CCN1CCCC1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302123872 437138340 /nfs/dbraw/zinc/13/83/40/437138340.db2.gz HNCFACNXVBDCHB-UHFFFAOYSA-N 0 3 328.394 0.774 20 5 ECBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000316579976 437188236 /nfs/dbraw/zinc/18/82/36/437188236.db2.gz MLFSFPHNPLXXQF-NSHDSACASA-N 0 3 328.394 0.167 20 5 ECBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CCCCN1C1CC1 ZINC000277526878 437228314 /nfs/dbraw/zinc/22/83/14/437228314.db2.gz MGBJDOVGFWYPAC-ZDUSSCGKSA-N 0 3 334.376 0.890 20 5 ECBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000278455298 437313797 /nfs/dbraw/zinc/31/37/97/437313797.db2.gz IROLIXPKFMJZNZ-LBPRGKRZSA-N 0 3 339.396 0.717 20 5 ECBDHN Cc1ccc(CN(CCO)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000181988502 437336194 /nfs/dbraw/zinc/33/61/94/437336194.db2.gz KIAKENVODWMAFF-MRXNPFEDSA-N 0 3 334.376 0.955 20 5 ECBDHN CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000184786184 437412542 /nfs/dbraw/zinc/41/25/42/437412542.db2.gz AVXVOAJJRMOZAR-UHFFFAOYSA-N 0 3 328.394 0.773 20 5 ECBDHN CN1CCC[C@@H]1CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000353960639 437494998 /nfs/dbraw/zinc/49/49/98/437494998.db2.gz KECLAYLAVSXWHH-CQSZACIVSA-N 0 3 349.391 0.604 20 5 ECBDHN CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000290671665 437515430 /nfs/dbraw/zinc/51/54/30/437515430.db2.gz PKNTZHASMVCHHA-UHFFFAOYSA-N 0 3 339.396 0.651 20 5 ECBDHN CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000290671665 437515435 /nfs/dbraw/zinc/51/54/35/437515435.db2.gz PKNTZHASMVCHHA-UHFFFAOYSA-N 0 3 339.396 0.651 20 5 ECBDHN CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC[NH+](C)C ZINC000290671665 437515441 /nfs/dbraw/zinc/51/54/41/437515441.db2.gz PKNTZHASMVCHHA-UHFFFAOYSA-N 0 3 339.396 0.651 20 5 ECBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCCC[C@@H]1CN ZINC000423621948 437782657 /nfs/dbraw/zinc/78/26/57/437782657.db2.gz LNSPNDHTMDGJBP-OAHLLOKOSA-N 0 3 348.403 0.936 20 5 ECBDHN O=C(NC[C@@H]1CNCCO1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423984028 437869073 /nfs/dbraw/zinc/86/90/73/437869073.db2.gz AZCXFRGYSSJTDD-ZDUSSCGKSA-N 0 3 331.332 0.499 20 5 ECBDHN N[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1F ZINC000424023594 437878357 /nfs/dbraw/zinc/87/83/57/437878357.db2.gz BHCBAEWAIOSYFA-GXTWGEPZSA-N 0 3 333.323 0.884 20 5 ECBDHN CC(=O)NCC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000347647789 437923422 /nfs/dbraw/zinc/92/34/22/437923422.db2.gz PLRMQZYWFJOVEX-AWEZNQCLSA-N 0 3 336.392 0.995 20 5 ECBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@H]1Cn1ccnn1 ZINC000371626592 437968514 /nfs/dbraw/zinc/96/85/14/437968514.db2.gz HIEHBTHQPVIBSG-ZDUSSCGKSA-N 0 3 332.364 0.903 20 5 ECBDHN O=C1CNC(=O)N1CCCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372328725 438070136 /nfs/dbraw/zinc/07/01/36/438070136.db2.gz CGGFITSHLHDSPT-NSHDSACASA-N 0 3 336.352 0.370 20 5 ECBDHN COC(=O)[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000373182302 438134901 /nfs/dbraw/zinc/13/49/01/438134901.db2.gz HPWDBGVIDBMHQL-OLZOCXBDSA-N 0 3 338.364 0.427 20 5 ECBDHN O=C(NC[C@@H]1CNCCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418757694 438183019 /nfs/dbraw/zinc/18/30/19/438183019.db2.gz DSXYUBOTWVVTEI-HNNXBMFYSA-N 0 3 349.391 0.415 20 5 ECBDHN COc1cnccc1N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000358292549 438194542 /nfs/dbraw/zinc/19/45/42/438194542.db2.gz PHGMNBWEDFGNCF-UHFFFAOYSA-N 0 3 346.347 0.694 20 5 ECBDHN CN1CC[C@@H]2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375048376 438241802 /nfs/dbraw/zinc/24/18/02/438241802.db2.gz HXXFGTPKUYDGRI-YGRLFVJLSA-N 0 3 340.405 0.773 20 5 ECBDHN C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H]1CN ZINC000418923034 438250902 /nfs/dbraw/zinc/25/09/02/438250902.db2.gz LZNJQKBKSLEZKC-DOMZBBRYSA-N 0 3 348.403 0.839 20 5 ECBDHN O=C(CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000447589301 438676954 /nfs/dbraw/zinc/67/69/54/438676954.db2.gz XMTCNCIGTQRJFI-QWHCGFSZSA-N 0 3 337.380 0.723 20 5 ECBDHN CNc1nc(C(=O)Nc2ccn(CCN(C)C)n2)ccc1[N+](=O)[O-] ZINC000455213896 438740645 /nfs/dbraw/zinc/74/06/45/438740645.db2.gz NPFRATQSLYSHTD-UHFFFAOYSA-N 0 3 333.352 1.042 20 5 ECBDHN CNCCN(C)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000497094221 438766802 /nfs/dbraw/zinc/76/68/02/438766802.db2.gz XLQNBVPJVSXTRX-UHFFFAOYSA-N 0 3 346.365 0.613 20 5 ECBDHN CS[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000554864258 438769962 /nfs/dbraw/zinc/76/99/62/438769962.db2.gz WFADOMLMBOCAEH-MNOVXSKESA-N 0 3 325.394 0.970 20 5 ECBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000595744030 438853890 /nfs/dbraw/zinc/85/38/90/438853890.db2.gz UNXBMTJKZSYDGP-HIFRSBDPSA-N 0 3 326.349 0.682 20 5 ECBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000595744029 438854033 /nfs/dbraw/zinc/85/40/33/438854033.db2.gz UNXBMTJKZSYDGP-DZGCQCFKSA-N 0 3 326.349 0.682 20 5 ECBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000595884022 438875814 /nfs/dbraw/zinc/87/58/14/438875814.db2.gz AFJDJYMJXAWGJM-HNNXBMFYSA-N 0 3 334.376 0.341 20 5 ECBDHN NC(C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000564909051 438884748 /nfs/dbraw/zinc/88/47/48/438884748.db2.gz MNXIVLPQOYXPFM-SNVBAGLBSA-N 0 3 333.270 0.528 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000590384341 438916031 /nfs/dbraw/zinc/91/60/31/438916031.db2.gz GRPILEIXWPSOLL-HOTGVXAUSA-N 0 3 348.403 0.942 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000590399629 438917904 /nfs/dbraw/zinc/91/79/04/438917904.db2.gz LMECSDSQJNIMJY-UHFFFAOYSA-N 0 3 348.403 0.923 20 5 ECBDHN COC(=O)[C@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596271252 438949139 /nfs/dbraw/zinc/94/91/39/438949139.db2.gz YLPBFPNPPRTFJY-JTQLQIEISA-N 0 3 336.348 0.235 20 5 ECBDHN O=[N+]([O-])c1cnc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)nc1 ZINC000596422841 438960881 /nfs/dbraw/zinc/96/08/81/438960881.db2.gz HPKBAFNFUQMOIM-OAHLLOKOSA-N 0 3 329.360 1.564 20 5 ECBDHN Cn1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C(F)(F)F)n1 ZINC000578980943 438969103 /nfs/dbraw/zinc/96/91/03/438969103.db2.gz AQPJCVUXDVOPLH-JTQLQIEISA-N 0 3 348.285 0.694 20 5 ECBDHN CCNC(=O)C(C)(C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459563485 438975634 /nfs/dbraw/zinc/97/56/34/438975634.db2.gz QONSJIVTRXIQBW-GFCCVEGCSA-N 0 3 325.365 0.839 20 5 ECBDHN CC1(C)CN[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591672863 439057147 /nfs/dbraw/zinc/05/71/47/439057147.db2.gz PATKGJCZRGGKOR-AWEZNQCLSA-N 0 3 346.387 0.877 20 5 ECBDHN CN(C)C[C@@]1(O)CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000597575455 439132304 /nfs/dbraw/zinc/13/23/04/439132304.db2.gz XXMOKYUYLSMMDQ-HNNXBMFYSA-N 0 3 339.396 0.442 20 5 ECBDHN CCN1CCN([C@@H]2CCN(CCn3c(C)ncc3[N+](=O)[O-])C2)CC1 ZINC000602778488 439135568 /nfs/dbraw/zinc/13/55/68/439135568.db2.gz YMXKLEKOUNPBRI-OAHLLOKOSA-N 0 3 336.440 0.812 20 5 ECBDHN O=[N+]([O-])c1c(N2CC[C@H](N3CCCC3)C2)ncnc1N1CCOCC1 ZINC000598592852 439281616 /nfs/dbraw/zinc/28/16/16/439281616.db2.gz MGPJFBNXRWDGFO-ZDUSSCGKSA-N 0 3 348.407 0.896 20 5 ECBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000598183756 439236048 /nfs/dbraw/zinc/23/60/48/439236048.db2.gz AOVYXIWBKWLQDV-UHFFFAOYSA-N 0 3 328.394 0.748 20 5 ECBDHN CC(C)N1CC[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000582416140 439332627 /nfs/dbraw/zinc/33/26/27/439332627.db2.gz XMVRSMIQUZQNLW-HIFRSBDPSA-N 0 3 337.376 0.933 20 5 ECBDHN CN(C)C1(CN(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCC1 ZINC000599289304 439419761 /nfs/dbraw/zinc/41/97/61/439419761.db2.gz XJMDFJXOUQRZAX-UHFFFAOYSA-N 0 3 331.398 0.433 20 5 ECBDHN COCCN(C)C[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593980910 439503361 /nfs/dbraw/zinc/50/33/61/439503361.db2.gz CZUILVPHODTUFT-CQSZACIVSA-N 0 3 341.412 0.367 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027910 439508418 /nfs/dbraw/zinc/50/84/18/439508418.db2.gz VCFDVXLNCUIZEE-LSDHHAIUSA-N 0 3 348.403 0.983 20 5 ECBDHN O=C(CCN1CCN2C[C@H](O)C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000594027997 439508987 /nfs/dbraw/zinc/50/89/87/439508987.db2.gz YNAVLLDITXPYHL-LSDHHAIUSA-N 0 3 334.376 0.674 20 5 ECBDHN CNc1nccc(C(=O)Nc2cnn(CCN(C)C)c2)c1[N+](=O)[O-] ZINC000594259759 439533386 /nfs/dbraw/zinc/53/33/86/439533386.db2.gz IFMVGLQYHOUQBY-UHFFFAOYSA-N 0 3 333.352 1.042 20 5 ECBDHN CNc1nccc(C(=O)N(CCN(C)C)CCN(C)C)c1[N+](=O)[O-] ZINC000594284279 439536245 /nfs/dbraw/zinc/53/62/45/439536245.db2.gz UGZKYPSRZKJITB-UHFFFAOYSA-N 0 3 338.412 0.597 20 5 ECBDHN NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H](N2CCCC2)C1 ZINC000608909221 439548069 /nfs/dbraw/zinc/54/80/69/439548069.db2.gz CAGVGWFBMXZNIQ-NSHDSACASA-N 0 3 340.405 0.917 20 5 ECBDHN Cc1nn(CCC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000594393799 439554116 /nfs/dbraw/zinc/55/41/16/439554116.db2.gz QBGATZQEFQSZEH-QWHCGFSZSA-N 0 3 337.380 0.076 20 5 ECBDHN NC[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000594451298 439561882 /nfs/dbraw/zinc/56/18/82/439561882.db2.gz JLHXNVNTRVQRQQ-SNVBAGLBSA-N 0 3 335.238 0.985 20 5 ECBDHN CN(CCN1CCCC1=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609578225 439578645 /nfs/dbraw/zinc/57/86/45/439578645.db2.gz MBFMDPKGEXPQIK-AWEZNQCLSA-N 0 3 337.376 0.889 20 5 ECBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263981 439606378 /nfs/dbraw/zinc/60/63/78/439606378.db2.gz ADZKOSYTUFABPW-NSHDSACASA-N 0 3 328.394 0.952 20 5 ECBDHN N[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595123090 439656760 /nfs/dbraw/zinc/65/67/60/439656760.db2.gz QZBDKJRWOOYOAD-VXGBXAGGSA-N 0 3 331.369 0.838 20 5 ECBDHN C[C@@H](Cn1cncn1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573084300 439627620 /nfs/dbraw/zinc/62/76/20/439627620.db2.gz QDJLPEYUCITDIO-NSHDSACASA-N 0 3 339.377 0.638 20 5 ECBDHN Cc1noc(CN2CCN(C(=O)CN3CCCC3)CC2)c1[N+](=O)[O-] ZINC000595309389 439697036 /nfs/dbraw/zinc/69/70/36/439697036.db2.gz RWDPDXGIBZALRH-UHFFFAOYSA-N 0 3 337.380 0.631 20 5 ECBDHN COC(=O)CC[C@H](N)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000288728418 320658013 /nfs/dbraw/zinc/65/80/13/320658013.db2.gz LDBGLQRMTMQPHD-NSHDSACASA-N 0 3 339.304 0.600 20 5 ECBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)N(C)C ZINC000344654257 321159108 /nfs/dbraw/zinc/15/91/08/321159108.db2.gz LLFMPQXYVMKIAQ-ONGXEEELSA-N 0 3 326.401 0.894 20 5 ECBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000534289073 322075089 /nfs/dbraw/zinc/07/50/89/322075089.db2.gz YMLAICIUOQIANL-UHFFFAOYSA-N 0 3 341.368 0.663 20 5 ECBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000564584404 322381473 /nfs/dbraw/zinc/38/14/73/322381473.db2.gz DYRTWZHPCVVZTN-CHWSQXEVSA-N 0 3 347.375 0.086 20 5 ECBDHN CCC(=O)N1CC[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000564853850 322400008 /nfs/dbraw/zinc/40/00/08/322400008.db2.gz IKQDVLNCEQLFSJ-GXTWGEPZSA-N 0 3 337.376 0.935 20 5 ECBDHN CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000573929482 322770437 /nfs/dbraw/zinc/77/04/37/322770437.db2.gz OCKYZLDMNLODGP-CYBMUJFWSA-N 0 3 346.387 0.642 20 5 ECBDHN C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)NCCN(C)C ZINC000576417926 322807135 /nfs/dbraw/zinc/80/71/35/322807135.db2.gz ZAOSLDHUGXDCPO-JTQLQIEISA-N 0 3 347.375 0.872 20 5 ECBDHN O=C1[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccccc1 ZINC000577216514 322828943 /nfs/dbraw/zinc/82/89/43/322828943.db2.gz NVOHNLWWLZOAFN-CABCVRRESA-N 0 3 345.359 0.547 20 5 ECBDHN CN(C)[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000579793452 322906795 /nfs/dbraw/zinc/90/67/95/322906795.db2.gz KPMJEFJXSPURTO-KKUMJFAQSA-N 0 3 334.376 0.307 20 5 ECBDHN NC(=O)c1ccc(CN2CC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000129211932 534480794 /nfs/dbraw/zinc/48/07/94/534480794.db2.gz OBMQFURFZRGHFQ-ZDUSSCGKSA-N 0 3 348.403 0.848 20 5 ECBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000733160139 578332951 /nfs/dbraw/zinc/33/29/51/578332951.db2.gz NYDBAOUCCREMOX-CYBMUJFWSA-N 0 3 337.380 0.551 20 5 ECBDHN CN(C[C@@H](O)CN1CCOCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593085 579285422 /nfs/dbraw/zinc/28/54/22/579285422.db2.gz VZICOTJYWKRIRM-CVEARBPZSA-N 0 3 339.392 0.253 20 5 ECBDHN CNS(=O)(=O)c1ccc(N2CC[C@@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893939985 586367458 /nfs/dbraw/zinc/36/74/58/586367458.db2.gz LMTZSAKAQCEZJL-QMTHXVAHSA-N 0 3 340.405 0.643 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H](O)c2c(F)cccc2F)c1 ZINC000843086902 589050035 /nfs/dbraw/zinc/05/00/35/589050035.db2.gz JPDWVGIIILOERC-GWCFXTLKSA-N 0 3 342.302 0.754 20 5 ECBDHN COc1cc([C@@H](C)NC[C@]2(CO)COCCN2C)cc([N+](=O)[O-])c1 ZINC000903224386 586772725 /nfs/dbraw/zinc/77/27/25/586772725.db2.gz VJMUCMIFELDGAL-WBMJQRKESA-N 0 3 339.392 0.947 20 5 ECBDHN COC[C@@H]1CNCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000903877844 586822438 /nfs/dbraw/zinc/82/24/38/586822438.db2.gz YDPRICQXGSVRCO-AWEZNQCLSA-N 0 3 334.376 0.404 20 5 ECBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000808159308 587146225 /nfs/dbraw/zinc/14/62/25/587146225.db2.gz BUFZGNVTJIOLDO-UONOGXRCSA-N 0 3 348.403 0.942 20 5 ECBDHN CC(COC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)[N+](=O)[O-] ZINC000813102741 587248134 /nfs/dbraw/zinc/24/81/34/587248134.db2.gz UMMUGXRSQCEPDK-VIFPVBQESA-N 0 3 328.346 0.949 20 5 ECBDHN COc1cc(OC)cc(C(=O)NCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107069 587248584 /nfs/dbraw/zinc/24/85/84/587248584.db2.gz LOZNEPAGMLUHCO-SECBINFHSA-N 0 3 326.305 0.642 20 5 ECBDHN CCS(=O)(=O)CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819013529 587464339 /nfs/dbraw/zinc/46/43/39/587464339.db2.gz VTCMJZUVAJFVHP-GFCCVEGCSA-N 0 3 332.378 0.359 20 5 ECBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000827012930 588095316 /nfs/dbraw/zinc/09/53/16/588095316.db2.gz CYTLYAVDRHSRJH-ZDUSSCGKSA-N 0 3 340.424 0.587 20 5 ECBDHN O=C(CCN[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000844257285 589105481 /nfs/dbraw/zinc/10/54/81/589105481.db2.gz ZHSZDLGMOGAHOC-SNVBAGLBSA-N 0 3 327.362 0.700 20 5 ECBDHN O=Cc1ccc(OCC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000848307096 589288061 /nfs/dbraw/zinc/28/80/61/589288061.db2.gz DMBPGIPXDSAMTG-QWHCGFSZSA-N 0 3 349.343 0.064 20 5 ECBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854641698 589597627 /nfs/dbraw/zinc/59/76/27/589597627.db2.gz FBGGNCRJZMBXTA-PMPSAXMXSA-N 0 3 349.387 0.950 20 5 ECBDHN Cn1ncnc1CN1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589035 611356728 /nfs/dbraw/zinc/35/67/28/611356728.db2.gz BPIFNWGFEBZRGC-XJFOESAGSA-N 0 3 348.407 0.151 20 5 ECBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000932033814 611594090 /nfs/dbraw/zinc/59/40/90/611594090.db2.gz FYVGJQUOLOWLSC-CYBMUJFWSA-N 0 3 339.396 0.669 20 5 ECBDHN Cn1cnc(C(=O)N[C@H]2C[C@H](CNCc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000983466316 743230630 /nfs/dbraw/zinc/23/06/30/743230630.db2.gz ZKYAOUSUXGBTIZ-XYPYZODXSA-N 0 3 347.379 0.360 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000997559595 743676134 /nfs/dbraw/zinc/67/61/34/743676134.db2.gz UAKZGXQHWTXZBX-UHFFFAOYSA-N 0 3 347.379 0.693 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)c2cocn2)CC1 ZINC000997601132 743702842 /nfs/dbraw/zinc/70/28/42/743702842.db2.gz IOMJXJJCLVYMJR-UHFFFAOYSA-N 0 3 348.363 0.958 20 5 ECBDHN CC[N@H+](C)CCC(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105460305 752062777 /nfs/dbraw/zinc/06/27/77/752062777.db2.gz XRKVQLBSTWGSJA-UHFFFAOYSA-N 0 3 339.396 0.932 20 5 ECBDHN CC[N@@H+](C)CCC(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105460305 752062781 /nfs/dbraw/zinc/06/27/81/752062781.db2.gz XRKVQLBSTWGSJA-UHFFFAOYSA-N 0 3 339.396 0.932 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2cnccn2)CC1 ZINC000989876631 754530727 /nfs/dbraw/zinc/53/07/27/754530727.db2.gz FHNNCNKJDFDKRR-UHFFFAOYSA-N 0 3 345.363 0.513 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2ccon2)CC1 ZINC000990030241 754665298 /nfs/dbraw/zinc/66/52/98/754665298.db2.gz UWZGXMPXSLSWRL-UHFFFAOYSA-N 0 3 334.336 0.711 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000983205435 754856913 /nfs/dbraw/zinc/85/69/13/754856913.db2.gz HVUWLCMPXDTXSC-MGCOHNPYSA-N 0 3 333.352 0.350 20 5 ECBDHN Cn1ncc(Br)c1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938721 756794146 /nfs/dbraw/zinc/79/41/46/756794146.db2.gz IGVIATKLMYPPAQ-VXNVDRBHSA-N 0 3 346.185 0.054 20 5 ECBDHN CCN(CC)CC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107204933 757657973 /nfs/dbraw/zinc/65/79/73/757657973.db2.gz TXLCLLNCZAMMCQ-AATRIKPKSA-N 0 3 337.384 0.393 20 5 ECBDHN CC(C)(F)C(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055490825 768929925 /nfs/dbraw/zinc/92/99/25/768929925.db2.gz FGHCDRBHEHYMIQ-VXGBXAGGSA-N 0 3 344.387 0.097 20 5 ECBDHN CN(CC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1)C1CCC1 ZINC001056062307 770715103 /nfs/dbraw/zinc/71/51/03/770715103.db2.gz DTACKZYIRSPUEH-UHFFFAOYSA-N 0 3 349.395 0.100 20 5 ECBDHN Cn1cnc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)n1 ZINC001020127780 772193270 /nfs/dbraw/zinc/19/32/70/772193270.db2.gz ZFHLCTDFBSHZBI-HAQNSBGRSA-N 0 3 330.348 0.774 20 5 ECBDHN NC(=O)C(=O)N1CCC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001040828902 783522910 /nfs/dbraw/zinc/52/29/10/783522910.db2.gz SAYHHRTVCYUYKQ-UHFFFAOYSA-N 0 3 346.387 0.895 20 5 ECBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000425550931 210071090 /nfs/dbraw/zinc/07/10/90/210071090.db2.gz PSKNUBBNRVTXFV-AAEUAGOBSA-N 0 3 333.348 0.942 20 5 ECBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](c2nnc[nH]2)C1 ZINC000425546062 210069972 /nfs/dbraw/zinc/06/99/72/210069972.db2.gz KMRAGTGKISLXDL-RYUDHWBXSA-N 0 3 333.348 0.942 20 5 ECBDHN CN1CCC[C@@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000264922971 247050341 /nfs/dbraw/zinc/05/03/41/247050341.db2.gz QFEZJVMVURJXGX-SNVBAGLBSA-N 0 3 346.343 0.401 20 5 ECBDHN Cc1ccn(CC(=O)NC2CCN(C3CC3)CC2)c(=O)c1[N+](=O)[O-] ZINC000129563189 296662397 /nfs/dbraw/zinc/66/23/97/296662397.db2.gz IZSAILFMVBOMMJ-UHFFFAOYSA-N 0 3 334.376 0.808 20 5 ECBDHN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCN(C)C ZINC000271346221 296752419 /nfs/dbraw/zinc/75/24/19/296752419.db2.gz DYYSKKBXGRSKSG-UHFFFAOYSA-N 0 3 332.382 0.750 20 5 ECBDHN COc1cc(C(=O)NC[C@@](C)(O)CN(C)C)cc([N+](=O)[O-])c1C ZINC000189721207 165014490 /nfs/dbraw/zinc/01/44/90/165014490.db2.gz CUULWUJTNVTONH-OAHLLOKOSA-N 0 3 325.365 0.954 20 5 ECBDHN O=C(CCN1C[C@H](O)C[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000249393556 165197799 /nfs/dbraw/zinc/19/77/99/165197799.db2.gz SHNIBQFDEYSXQO-WDEREUQCSA-N 0 3 327.312 0.490 20 5 ECBDHN [NH3+]CCCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262830758 165393523 /nfs/dbraw/zinc/39/35/23/165393523.db2.gz ZUKOBOBVXNGTLG-UHFFFAOYSA-N 0 3 331.350 0.383 20 5 ECBDHN O=C(CNC[C@@H]1CCCO1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237891866 263175430 /nfs/dbraw/zinc/17/54/30/263175430.db2.gz KHHXGRCDYZFEKD-OCCSQVGLSA-N 0 3 349.391 0.771 20 5 ECBDHN COCCN(CCN(C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272396827 263346532 /nfs/dbraw/zinc/34/65/32/263346532.db2.gz XRVRSSDLSTZGQY-UHFFFAOYSA-N 0 3 339.348 0.974 20 5 ECBDHN CN1CC[C@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285105578 264278898 /nfs/dbraw/zinc/27/88/98/264278898.db2.gz UKTUWUSOQWGHBI-HUUCEWRRSA-N 0 3 334.376 0.938 20 5 ECBDHN CCc1n[nH]c(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000294601367 265009799 /nfs/dbraw/zinc/00/97/99/265009799.db2.gz JDKDHLFYXKVADL-MWLCHTKSSA-N 0 3 325.369 0.407 20 5 ECBDHN O=C(NCCN1CCCOCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000189436521 437598367 /nfs/dbraw/zinc/59/83/67/437598367.db2.gz KXQLPXKRFZOVNZ-UHFFFAOYSA-N 0 3 333.348 0.923 20 5 ECBDHN C[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262487409 278250568 /nfs/dbraw/zinc/25/05/68/278250568.db2.gz VCDBVWAGUPIELE-LURJTMIESA-N 0 3 338.183 0.983 20 5 ECBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)CN(C)C ZINC000346219035 298239648 /nfs/dbraw/zinc/23/96/48/298239648.db2.gz JMYAISCVLSFSNF-KOLCDFICSA-N 0 3 326.401 0.894 20 5 ECBDHN Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000374872747 301130628 /nfs/dbraw/zinc/13/06/28/301130628.db2.gz FHJONCPONDTXDQ-CQSZACIVSA-N 0 3 336.440 0.930 20 5 ECBDHN Cc1cc(C)c(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000192078320 301198317 /nfs/dbraw/zinc/19/83/17/301198317.db2.gz VOGVWIMGLWSDDQ-CQSZACIVSA-N 0 3 345.421 0.803 20 5 ECBDHN COC[C@H](C)OC[C@H](O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375731540 301203534 /nfs/dbraw/zinc/20/35/34/301203534.db2.gz OCBMBVMVRGSIOC-KCQAQPDRSA-N 0 3 342.396 0.841 20 5 ECBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCN(C)CC1 ZINC000061524868 436636997 /nfs/dbraw/zinc/63/69/97/436636997.db2.gz AKQJMJWKRKWRCJ-UHFFFAOYSA-N 0 3 336.392 0.971 20 5 ECBDHN CN1CCC[C@@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000112924295 436635538 /nfs/dbraw/zinc/63/55/38/436635538.db2.gz KKHUCYBPIWMJPR-GFCCVEGCSA-N 0 3 330.348 1.000 20 5 ECBDHN CS[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000554864257 302428193 /nfs/dbraw/zinc/42/81/93/302428193.db2.gz WFADOMLMBOCAEH-GHMZBOCLSA-N 0 3 325.394 0.970 20 5 ECBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000273279664 436742595 /nfs/dbraw/zinc/74/25/95/436742595.db2.gz DDCZAHYCAWTMQT-LBPRGKRZSA-N 0 3 328.365 0.257 20 5 ECBDHN CS[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1N1CCCC1 ZINC000273477960 436757510 /nfs/dbraw/zinc/75/75/10/436757510.db2.gz IFWXYZHJUIXNSI-RYUDHWBXSA-N 0 3 339.421 0.830 20 5 ECBDHN COCCN1CCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000069499756 436775356 /nfs/dbraw/zinc/77/53/56/436775356.db2.gz FWNOUIAWXPCHNS-GFCCVEGCSA-N 0 3 325.369 0.408 20 5 ECBDHN COCCN(C)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000069485504 436775519 /nfs/dbraw/zinc/77/55/19/436775519.db2.gz CJZZLJODWZATGK-UHFFFAOYSA-N 0 3 325.365 0.840 20 5 ECBDHN CC(C)(C)OC(=O)[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247220040 436789987 /nfs/dbraw/zinc/78/99/87/436789987.db2.gz YKWNAETVHSSBEJ-WCQYABFASA-N 0 3 340.380 0.816 20 5 ECBDHN CCN1CC[C@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000293156246 436852825 /nfs/dbraw/zinc/85/28/25/436852825.db2.gz FGDBJHSVUSLNGR-JKSUJKDBSA-N 0 3 348.403 0.989 20 5 ECBDHN CN(C[C@H](O)Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293357054 436869907 /nfs/dbraw/zinc/86/99/07/436869907.db2.gz OCQKLDMOOFSRTE-CVEARBPZSA-N 0 3 334.376 0.688 20 5 ECBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000157098295 436823682 /nfs/dbraw/zinc/82/36/82/436823682.db2.gz NHYIYPOUDXUZQO-TZMCWYRMSA-N 0 3 334.376 0.699 20 5 ECBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@@H]2CCSC2)cc1 ZINC000161957903 436900494 /nfs/dbraw/zinc/90/04/94/436900494.db2.gz PNMMPWAXLTUXAC-SNVBAGLBSA-N 0 3 331.419 0.968 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@]2(CO)CCc3ccccc32)c1 ZINC000136186684 436929339 /nfs/dbraw/zinc/92/93/39/436929339.db2.gz IVOFMJQJRTVFLH-GOEBONIOSA-N 0 3 332.360 0.576 20 5 ECBDHN CCN(C)C(=O)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000296285419 436989390 /nfs/dbraw/zinc/98/93/90/436989390.db2.gz MZLBUTIQDUDYQS-OLZOCXBDSA-N 0 3 327.385 0.245 20 5 ECBDHN C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1CC(C)(C)O ZINC000302464402 437144662 /nfs/dbraw/zinc/14/46/62/437144662.db2.gz AXODILOZWJXBGJ-LLVKDONJSA-N 0 3 334.380 0.919 20 5 ECBDHN CN1CCO[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000331884033 437174768 /nfs/dbraw/zinc/17/47/68/437174768.db2.gz FKWLNIYHOSYNGB-HUUCEWRRSA-N 0 3 334.376 0.938 20 5 ECBDHN C[C@H]1CN(CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000268028132 437355858 /nfs/dbraw/zinc/35/58/58/437355858.db2.gz UDGVDASFIUTDCM-STQMWFEESA-N 0 3 339.396 0.797 20 5 ECBDHN C[C@H](CO)N1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000364938008 437828241 /nfs/dbraw/zinc/82/82/41/437828241.db2.gz SKGTVXVHOMWOJK-CYBMUJFWSA-N 0 3 337.376 0.889 20 5 ECBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000371502096 437943743 /nfs/dbraw/zinc/94/37/43/437943743.db2.gz ZSLQVIPIEYFMRJ-NWDGAFQWSA-N 0 3 349.343 0.917 20 5 ECBDHN O=C(CCN1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366307626 438050221 /nfs/dbraw/zinc/05/02/21/438050221.db2.gz DUZQQACRQMEPSY-QWRGUYRKSA-N 0 3 346.343 0.518 20 5 ECBDHN O=C(CCN1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366336696 438055706 /nfs/dbraw/zinc/05/57/06/438055706.db2.gz YRYTZIAOYSJRND-QWHCGFSZSA-N 0 3 346.343 0.518 20 5 ECBDHN CN1CC[C@@](O)(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000358041107 438129772 /nfs/dbraw/zinc/12/97/72/438129772.db2.gz FJWXKUJOSJDSSI-MRXNPFEDSA-N 0 3 345.359 0.577 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000358057181 438134971 /nfs/dbraw/zinc/13/49/71/438134971.db2.gz OTSTYJGOADAPJV-INIZCTEOSA-N 0 3 345.359 0.577 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000358067626 438139253 /nfs/dbraw/zinc/13/92/53/438139253.db2.gz QDSYDSGFEFYYDE-INIZCTEOSA-N 0 3 332.360 0.732 20 5 ECBDHN CN1CC[C@](O)(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000358070070 438141532 /nfs/dbraw/zinc/14/15/32/438141532.db2.gz UGZALCBGTUYEEH-AWEZNQCLSA-N 0 3 325.390 0.870 20 5 ECBDHN COCCNCCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418504815 438153652 /nfs/dbraw/zinc/15/36/52/438153652.db2.gz CNJHKINDDQZZRC-UHFFFAOYSA-N 0 3 338.364 0.735 20 5 ECBDHN C[C@@H]1CN(CCCNc2ccc3ncc([N+](=O)[O-])n3n2)CCCO1 ZINC000432878653 438214506 /nfs/dbraw/zinc/21/45/06/438214506.db2.gz JJLRJCZUCOVLBC-GFCCVEGCSA-N 0 3 334.380 1.550 20 5 ECBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1C ZINC000390869430 438436780 /nfs/dbraw/zinc/43/67/80/438436780.db2.gz QSIGDDWZKDGQPQ-ZDUSSCGKSA-N 0 3 342.421 0.475 20 5 ECBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1CNCCO1 ZINC000420479682 438410987 /nfs/dbraw/zinc/41/09/87/438410987.db2.gz NJJRQVAXONUURS-LBPRGKRZSA-N 0 3 329.378 0.045 20 5 ECBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]CC[C@@H]1CCOC1 ZINC000438191494 438469564 /nfs/dbraw/zinc/46/95/64/438469564.db2.gz QTYDKONIRTXHEA-GFCCVEGCSA-N 0 3 343.405 0.889 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@H]2Cn2cccn2)c1 ZINC000369782040 438513647 /nfs/dbraw/zinc/51/36/47/438513647.db2.gz KZFPAZDMCSBARE-ZFWWWQNUSA-N 0 3 334.380 0.903 20 5 ECBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)CC ZINC000440076495 438531555 /nfs/dbraw/zinc/53/15/55/438531555.db2.gz JBTZIPWHFXAECA-UHFFFAOYSA-N 0 3 338.364 1.000 20 5 ECBDHN C[C@H]1[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000494029168 438666889 /nfs/dbraw/zinc/66/68/89/438666889.db2.gz VGWLREWDSUZQHB-GXTWGEPZSA-N 0 3 344.375 0.966 20 5 ECBDHN CN1CC[C@@H]2CN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]21 ZINC000451638093 438702261 /nfs/dbraw/zinc/70/22/61/438702261.db2.gz YWYXUSUHSXQAJJ-MFKMUULPSA-N 0 3 348.359 0.898 20 5 ECBDHN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](C)N1CCO ZINC000456221063 438764151 /nfs/dbraw/zinc/76/41/51/438764151.db2.gz FKVAHCBZKBDACG-PHIMTYICSA-N 0 3 347.375 0.998 20 5 ECBDHN O=C(NC1CNC1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576569888 438789130 /nfs/dbraw/zinc/78/91/30/438789130.db2.gz GORJRGVCIHWAHW-UHFFFAOYSA-N 0 3 348.359 0.053 20 5 ECBDHN N[C@@H]1C[C@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000576600187 438789829 /nfs/dbraw/zinc/78/98/29/438789829.db2.gz UMQUJBVMLLTIRP-QWHCGFSZSA-N 0 3 347.375 0.091 20 5 ECBDHN Nc1c(C(=O)NC[C@]2(O)CN3CCC2CC3)cc(F)cc1[N+](=O)[O-] ZINC000561692900 438846411 /nfs/dbraw/zinc/84/64/11/438846411.db2.gz MRJUYTNKPKZIEM-HNNXBMFYSA-N 0 3 338.339 0.503 20 5 ECBDHN O=C1CC[C@@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595728769 438851838 /nfs/dbraw/zinc/85/18/38/438851838.db2.gz OQKLYAAOEDLVAY-RDBSUJKOSA-N 0 3 349.387 0.935 20 5 ECBDHN CNc1nccc(C(=O)NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000564224814 438872864 /nfs/dbraw/zinc/87/28/64/438872864.db2.gz QFDZRLPQMYYZSA-LLVKDONJSA-N 0 3 337.380 0.608 20 5 ECBDHN O=C(CN1CCCC1)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596111740 438926648 /nfs/dbraw/zinc/92/66/48/438926648.db2.gz CKLHILOIOLJJEA-UHFFFAOYSA-N 0 3 335.364 0.440 20 5 ECBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596170140 438937496 /nfs/dbraw/zinc/93/74/96/438937496.db2.gz WZCIHEQCHQKMFB-GFCCVEGCSA-N 0 3 335.364 0.438 20 5 ECBDHN CN(C[C@H]1CCCN1C)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596279115 438950519 /nfs/dbraw/zinc/95/05/19/438950519.db2.gz PPGOVNIHNYQLSH-LLVKDONJSA-N 0 3 328.394 0.773 20 5 ECBDHN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000566203698 439022877 /nfs/dbraw/zinc/02/28/77/439022877.db2.gz GLZBYGQMQKYGLS-UHFFFAOYSA-N 0 3 331.336 0.385 20 5 ECBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(=O)N1CCNCC1 ZINC000591577155 439023482 /nfs/dbraw/zinc/02/34/82/439023482.db2.gz RBQNAMYFEDXKTN-LBPRGKRZSA-N 0 3 349.391 0.333 20 5 ECBDHN C[S@@](=O)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591749929 439079470 /nfs/dbraw/zinc/07/94/70/439079470.db2.gz PFWCWCKRGSZMSK-JCQPUDPBSA-N 0 3 338.389 0.679 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCCOc2ccc(Cl)cn2)c1 ZINC000569332362 439322926 /nfs/dbraw/zinc/32/29/26/439322926.db2.gz NIDPBKXHWZMCRC-LBPRGKRZSA-N 0 3 341.755 0.869 20 5 ECBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)n1 ZINC000592875585 439295194 /nfs/dbraw/zinc/29/51/94/439295194.db2.gz ZHFVHPPMLCNUTR-SNVBAGLBSA-N 0 3 338.368 0.003 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000582496779 439344243 /nfs/dbraw/zinc/34/42/43/439344243.db2.gz NSODQYIJINLTTA-STQMWFEESA-N 0 3 325.390 0.820 20 5 ECBDHN COc1cc(CNCCN2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000599019609 439346179 /nfs/dbraw/zinc/34/61/79/439346179.db2.gz SHUDCNDYXBINJC-LBPRGKRZSA-N 0 3 325.365 0.768 20 5 ECBDHN CN(C)CCN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1=O ZINC000593235381 439355633 /nfs/dbraw/zinc/35/56/33/439355633.db2.gz TYJNYYLKYRRIDJ-UHFFFAOYSA-N 0 3 326.378 0.502 20 5 ECBDHN COc1cc(N2CCN(CCN(C)C)C(=O)C2)c([N+](=O)[O-])cc1F ZINC000593486169 439387259 /nfs/dbraw/zinc/38/72/59/439387259.db2.gz OCMMXXFRRNZKBL-UHFFFAOYSA-N 0 3 340.355 0.953 20 5 ECBDHN CN(C)[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1O ZINC000570368072 439414878 /nfs/dbraw/zinc/41/48/78/439414878.db2.gz SNHUNUJSYJULQM-GJZGRUSLSA-N 0 3 345.359 0.527 20 5 ECBDHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000583576065 439484912 /nfs/dbraw/zinc/48/49/12/439484912.db2.gz BQXUVNFLVQBPFR-GDLCADMTSA-N 0 3 347.375 0.609 20 5 ECBDHN C[C@H]1CN(CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])CCCO1 ZINC000583730417 439502664 /nfs/dbraw/zinc/50/26/64/439502664.db2.gz WLXMITLTFJEHIC-NSHDSACASA-N 0 3 325.369 0.559 20 5 ECBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594393481 439554180 /nfs/dbraw/zinc/55/41/80/439554180.db2.gz ONYCGXFHWJJCJI-LSDHHAIUSA-N 0 3 344.371 0.827 20 5 ECBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594393457 439554479 /nfs/dbraw/zinc/55/44/79/439554479.db2.gz NMSTZGHHRQYXPD-QWHCGFSZSA-N 0 3 334.376 0.674 20 5 ECBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CN)C(F)(F)F ZINC000594533189 439573102 /nfs/dbraw/zinc/57/31/02/439573102.db2.gz IXJDRGIQFBWVRF-VIFPVBQESA-N 0 3 334.254 0.848 20 5 ECBDHN N[C@@H]1C[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000594694848 439591578 /nfs/dbraw/zinc/59/15/78/439591578.db2.gz WEVKCAAZWCNOAB-CMPLNLGQSA-N 0 3 328.332 0.286 20 5 ECBDHN CN1C(=O)c2ccccc2[C@H]1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600753413 439699606 /nfs/dbraw/zinc/69/96/06/439699606.db2.gz AWMFOGMWJNXVTP-SWLSCSKDSA-N 0 3 345.359 0.569 20 5 ECBDHN CCN(CCN)C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000600798272 439703945 /nfs/dbraw/zinc/70/39/45/439703945.db2.gz UDLGMPXWMOZDDH-UHFFFAOYSA-N 0 3 334.376 0.893 20 5 ECBDHN C[C@H](CN1CCCC1=O)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574552261 439712272 /nfs/dbraw/zinc/71/22/72/439712272.db2.gz YSZBRMZAIYQCGG-OLZOCXBDSA-N 0 3 337.376 0.935 20 5 ECBDHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000595264099 439685766 /nfs/dbraw/zinc/68/57/66/439685766.db2.gz IRQUOVWSQKZSRT-UHFFFAOYSA-N 0 3 346.347 0.591 20 5 ECBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)n1 ZINC000611335003 439691979 /nfs/dbraw/zinc/69/19/79/439691979.db2.gz XPOFVDXUKMVRSO-GFCCVEGCSA-N 0 3 336.396 0.180 20 5 ECBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330571603 320839506 /nfs/dbraw/zinc/83/95/06/320839506.db2.gz JLQCSOBKNLHAGS-UHFFFAOYSA-N 0 3 337.380 0.549 20 5 ECBDHN CN(C)CCOC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000351901192 321339858 /nfs/dbraw/zinc/33/98/58/321339858.db2.gz XMJIURAQFQIYJR-UHFFFAOYSA-N 0 3 325.369 0.361 20 5 ECBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOC3(CCOCC3)CC2)c1 ZINC000545276766 322108496 /nfs/dbraw/zinc/10/84/96/322108496.db2.gz GCTRAISAXXYRNX-AWEZNQCLSA-N 0 3 340.380 0.424 20 5 ECBDHN CCOC(=O)c1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000564469224 322376732 /nfs/dbraw/zinc/37/67/32/322376732.db2.gz CBEJXXRTKFSBMU-WCQYABFASA-N 0 3 348.359 0.520 20 5 ECBDHN CC(C)(CO)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000570791136 322699701 /nfs/dbraw/zinc/69/97/01/322699701.db2.gz RNEAKDXTKDVITL-CABCVRRESA-N 0 3 349.391 0.897 20 5 ECBDHN [NH3+][C@H]1CCC[C@@H](NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000571178517 322712851 /nfs/dbraw/zinc/71/28/51/322712851.db2.gz GQJCKHXMSICCHX-NWDGAFQWSA-N 0 3 342.421 0.733 20 5 ECBDHN COc1cc(OCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000574216635 322775499 /nfs/dbraw/zinc/77/54/99/322775499.db2.gz LKFXGMDDXUNDFQ-STQMWFEESA-N 0 3 339.348 0.116 20 5 ECBDHN CCN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184260232 529144283 /nfs/dbraw/zinc/14/42/83/529144283.db2.gz GDMDROPMQXFWGH-UHFFFAOYSA-N 0 3 335.408 0.934 20 5 ECBDHN COCCN1CC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000730790493 578308983 /nfs/dbraw/zinc/30/89/83/578308983.db2.gz XPXPERASBSYFSQ-ZDUSSCGKSA-N 0 3 347.375 0.781 20 5 ECBDHN O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2nnn[n-]2)c1 ZINC000738373501 579625108 /nfs/dbraw/zinc/62/51/08/579625108.db2.gz DWCXUFACBKJVSU-KOLCDFICSA-N 0 3 346.351 0.445 20 5 ECBDHN O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2nnn[n-]2)c1 ZINC000738373501 579625109 /nfs/dbraw/zinc/62/51/09/579625109.db2.gz DWCXUFACBKJVSU-KOLCDFICSA-N 0 3 346.351 0.445 20 5 ECBDHN COC(=O)[C@@H]1CN(C)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839630837 586884886 /nfs/dbraw/zinc/88/48/86/586884886.db2.gz POOFWDJFLYKQKO-HIFRSBDPSA-N 0 3 337.376 0.665 20 5 ECBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000800597902 586969884 /nfs/dbraw/zinc/96/98/84/586969884.db2.gz VVURABKRQVWSGI-SECBINFHSA-N 0 3 342.327 0.020 20 5 ECBDHN CS(=O)(=O)CCOCCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819104154 587468803 /nfs/dbraw/zinc/46/88/03/587468803.db2.gz IFELGJGXMZCQSV-CYBMUJFWSA-N 0 3 332.378 0.279 20 5 ECBDHN O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000824302752 587866564 /nfs/dbraw/zinc/86/65/64/587866564.db2.gz DECYCEBJPLKEPC-FZKCQIBNSA-N 0 3 331.372 0.976 20 5 ECBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC([NH2+]CCO)CC1 ZINC000826497764 588064109 /nfs/dbraw/zinc/06/41/09/588064109.db2.gz TWHFRXHVWBAWTJ-UHFFFAOYSA-N 0 3 333.352 0.326 20 5 ECBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC([NH2+]CCO)CC1 ZINC000826497764 588064111 /nfs/dbraw/zinc/06/41/11/588064111.db2.gz TWHFRXHVWBAWTJ-UHFFFAOYSA-N 0 3 333.352 0.326 20 5 ECBDHN O=C1COC[C@]2(CN[C@@H]3CCc4c3cccc4[N+](=O)[O-])COCCN12 ZINC000866552493 589750226 /nfs/dbraw/zinc/75/02/26/589750226.db2.gz BGAHVIFUJKUMNF-PBHICJAKSA-N 0 3 347.371 0.800 20 5 ECBDHN C[C@H](NC[C@@]12COCCN1C(=O)COC2)c1cccc([N+](=O)[O-])c1 ZINC000866556239 589750920 /nfs/dbraw/zinc/75/09/20/589750920.db2.gz QXUNTXXNAXELDY-LRDDRELGSA-N 0 3 335.360 0.873 20 5 ECBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000876470562 590377651 /nfs/dbraw/zinc/37/76/51/590377651.db2.gz DIWRIIIMVIZYIL-HNNXBMFYSA-N 0 3 340.380 0.353 20 5 ECBDHN CON(C)C(=O)C1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000878635568 590532279 /nfs/dbraw/zinc/53/22/79/590532279.db2.gz YRJFJGUNVNGSPI-UHFFFAOYSA-N 0 3 325.369 0.832 20 5 ECBDHN NCc1cn([C@@H]2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)nn1 ZINC000842512054 611314351 /nfs/dbraw/zinc/31/43/51/611314351.db2.gz ZYJSYUZHXGSYHE-GFCCVEGCSA-N 0 3 345.363 0.705 20 5 ECBDHN